1 /* ----------------------------------------------------------------------------
2  * This file was automatically generated by SWIG (http://www.swig.org).
3  * Version 2.0.11
4  *
5  * This file is not intended to be easily readable and contains a number of
6  * coding conventions designed to improve portability and efficiency. Do not make
7  * changes to this file unless you know what you are doing--modify the SWIG
8  * interface file instead.
9  * ----------------------------------------------------------------------------- */
10 
11 #define SWIGR
12 
13 
14 #ifdef __cplusplus
15 /* SwigValueWrapper is described in swig.swg */
16 template<typename T> class SwigValueWrapper {
17   struct SwigMovePointer {
18     T *ptr;
SwigMovePointerSwigValueWrapper::SwigMovePointer19     SwigMovePointer(T *p) : ptr(p) { }
~SwigMovePointerSwigValueWrapper::SwigMovePointer20     ~SwigMovePointer() { delete ptr; }
operator =SwigValueWrapper::SwigMovePointer21     SwigMovePointer& operator=(SwigMovePointer& rhs) { T* oldptr = ptr; ptr = 0; delete oldptr; ptr = rhs.ptr; rhs.ptr = 0; return *this; }
22   } pointer;
23   SwigValueWrapper& operator=(const SwigValueWrapper<T>& rhs);
24   SwigValueWrapper(const SwigValueWrapper<T>& rhs);
25 public:
SwigValueWrapper()26   SwigValueWrapper() : pointer(0) { }
operator =(const T & t)27   SwigValueWrapper& operator=(const T& t) { SwigMovePointer tmp(new T(t)); pointer = tmp; return *this; }
operator T&() const28   operator T&() const { return *pointer.ptr; }
operator &()29   T *operator&() { return pointer.ptr; }
30 };
31 
SwigValueInit()32 template <typename T> T SwigValueInit() {
33   return T();
34 }
35 #endif
36 
37 /* -----------------------------------------------------------------------------
38  *  This section contains generic SWIG labels for method/variable
39  *  declarations/attributes, and other compiler dependent labels.
40  * ----------------------------------------------------------------------------- */
41 
42 /* template workaround for compilers that cannot correctly implement the C++ standard */
43 #ifndef SWIGTEMPLATEDISAMBIGUATOR
44 # if defined(__SUNPRO_CC) && (__SUNPRO_CC <= 0x560)
45 #  define SWIGTEMPLATEDISAMBIGUATOR template
46 # elif defined(__HP_aCC)
47 /* Needed even with `aCC -AA' when `aCC -V' reports HP ANSI C++ B3910B A.03.55 */
48 /* If we find a maximum version that requires this, the test would be __HP_aCC <= 35500 for A.03.55 */
49 #  define SWIGTEMPLATEDISAMBIGUATOR template
50 # else
51 #  define SWIGTEMPLATEDISAMBIGUATOR
52 # endif
53 #endif
54 
55 /* inline attribute */
56 #ifndef SWIGINLINE
57 # if defined(__cplusplus) || (defined(__GNUC__) && !defined(__STRICT_ANSI__))
58 #   define SWIGINLINE inline
59 # else
60 #   define SWIGINLINE
61 # endif
62 #endif
63 
64 /* attribute recognised by some compilers to avoid 'unused' warnings */
65 #ifndef SWIGUNUSED
66 # if defined(__GNUC__)
67 #   if !(defined(__cplusplus)) || (__GNUC__ > 3 || (__GNUC__ == 3 && __GNUC_MINOR__ >= 4))
68 #     define SWIGUNUSED __attribute__ ((__unused__))
69 #   else
70 #     define SWIGUNUSED
71 #   endif
72 # elif defined(__ICC)
73 #   define SWIGUNUSED __attribute__ ((__unused__))
74 # else
75 #   define SWIGUNUSED
76 # endif
77 #endif
78 
79 #ifndef SWIG_MSC_UNSUPPRESS_4505
80 # if defined(_MSC_VER)
81 #   pragma warning(disable : 4505) /* unreferenced local function has been removed */
82 # endif
83 #endif
84 
85 #ifndef SWIGUNUSEDPARM
86 # ifdef __cplusplus
87 #   define SWIGUNUSEDPARM(p)
88 # else
89 #   define SWIGUNUSEDPARM(p) p SWIGUNUSED
90 # endif
91 #endif
92 
93 /* internal SWIG method */
94 #ifndef SWIGINTERN
95 # define SWIGINTERN static SWIGUNUSED
96 #endif
97 
98 /* internal inline SWIG method */
99 #ifndef SWIGINTERNINLINE
100 # define SWIGINTERNINLINE SWIGINTERN SWIGINLINE
101 #endif
102 
103 /* exporting methods */
104 #if (__GNUC__ >= 4) || (__GNUC__ == 3 && __GNUC_MINOR__ >= 4)
105 #  ifndef GCC_HASCLASSVISIBILITY
106 #    define GCC_HASCLASSVISIBILITY
107 #  endif
108 #endif
109 
110 #ifndef SWIGEXPORT
111 # if defined(_WIN32) || defined(__WIN32__) || defined(__CYGWIN__)
112 #   if defined(STATIC_LINKED)
113 #     define SWIGEXPORT
114 #   else
115 #     define SWIGEXPORT __declspec(dllexport)
116 #   endif
117 # else
118 #   if defined(__GNUC__) && defined(GCC_HASCLASSVISIBILITY)
119 #     define SWIGEXPORT __attribute__ ((visibility("default")))
120 #   else
121 #     define SWIGEXPORT
122 #   endif
123 # endif
124 #endif
125 
126 /* calling conventions for Windows */
127 #ifndef SWIGSTDCALL
128 # if defined(_WIN32) || defined(__WIN32__) || defined(__CYGWIN__)
129 #   define SWIGSTDCALL __stdcall
130 # else
131 #   define SWIGSTDCALL
132 # endif
133 #endif
134 
135 /* Deal with Microsoft's attempt at deprecating C standard runtime functions */
136 #if !defined(SWIG_NO_CRT_SECURE_NO_DEPRECATE) && defined(_MSC_VER) && !defined(_CRT_SECURE_NO_DEPRECATE)
137 # define _CRT_SECURE_NO_DEPRECATE
138 #endif
139 
140 /* Deal with Microsoft's attempt at deprecating methods in the standard C++ library */
141 #if !defined(SWIG_NO_SCL_SECURE_NO_DEPRECATE) && defined(_MSC_VER) && !defined(_SCL_SECURE_NO_DEPRECATE)
142 # define _SCL_SECURE_NO_DEPRECATE
143 #endif
144 
145 
146 /* -----------------------------------------------------------------------------
147  * swigrun.swg
148  *
149  * This file contains generic C API SWIG runtime support for pointer
150  * type checking.
151  * ----------------------------------------------------------------------------- */
152 
153 /* This should only be incremented when either the layout of swig_type_info changes,
154    or for whatever reason, the runtime changes incompatibly */
155 #define SWIG_RUNTIME_VERSION "4"
156 
157 /* define SWIG_TYPE_TABLE_NAME as "SWIG_TYPE_TABLE" */
158 #ifdef SWIG_TYPE_TABLE
159 # define SWIG_QUOTE_STRING(x) #x
160 # define SWIG_EXPAND_AND_QUOTE_STRING(x) SWIG_QUOTE_STRING(x)
161 # define SWIG_TYPE_TABLE_NAME SWIG_EXPAND_AND_QUOTE_STRING(SWIG_TYPE_TABLE)
162 #else
163 # define SWIG_TYPE_TABLE_NAME
164 #endif
165 
166 /*
167   You can use the SWIGRUNTIME and SWIGRUNTIMEINLINE macros for
168   creating a static or dynamic library from the SWIG runtime code.
169   In 99.9% of the cases, SWIG just needs to declare them as 'static'.
170 
171   But only do this if strictly necessary, ie, if you have problems
172   with your compiler or suchlike.
173 */
174 
175 #ifndef SWIGRUNTIME
176 # define SWIGRUNTIME SWIGINTERN
177 #endif
178 
179 #ifndef SWIGRUNTIMEINLINE
180 # define SWIGRUNTIMEINLINE SWIGRUNTIME SWIGINLINE
181 #endif
182 
183 /*  Generic buffer size */
184 #ifndef SWIG_BUFFER_SIZE
185 # define SWIG_BUFFER_SIZE 1024
186 #endif
187 
188 /* Flags for pointer conversions */
189 #define SWIG_POINTER_DISOWN        0x1
190 #define SWIG_CAST_NEW_MEMORY       0x2
191 
192 /* Flags for new pointer objects */
193 #define SWIG_POINTER_OWN           0x1
194 
195 
196 /*
197    Flags/methods for returning states.
198 
199    The SWIG conversion methods, as ConvertPtr, return an integer
200    that tells if the conversion was successful or not. And if not,
201    an error code can be returned (see swigerrors.swg for the codes).
202 
203    Use the following macros/flags to set or process the returning
204    states.
205 
206    In old versions of SWIG, code such as the following was usually written:
207 
208      if (SWIG_ConvertPtr(obj,vptr,ty.flags) != -1) {
209        // success code
210      } else {
211        //fail code
212      }
213 
214    Now you can be more explicit:
215 
216     int res = SWIG_ConvertPtr(obj,vptr,ty.flags);
217     if (SWIG_IsOK(res)) {
218       // success code
219     } else {
220       // fail code
221     }
222 
223    which is the same really, but now you can also do
224 
225     Type *ptr;
226     int res = SWIG_ConvertPtr(obj,(void **)(&ptr),ty.flags);
227     if (SWIG_IsOK(res)) {
228       // success code
229       if (SWIG_IsNewObj(res) {
230         ...
231 	delete *ptr;
232       } else {
233         ...
234       }
235     } else {
236       // fail code
237     }
238 
239    I.e., now SWIG_ConvertPtr can return new objects and you can
240    identify the case and take care of the deallocation. Of course that
241    also requires SWIG_ConvertPtr to return new result values, such as
242 
243       int SWIG_ConvertPtr(obj, ptr,...) {
244         if (<obj is ok>) {
245           if (<need new object>) {
246             *ptr = <ptr to new allocated object>;
247             return SWIG_NEWOBJ;
248           } else {
249             *ptr = <ptr to old object>;
250             return SWIG_OLDOBJ;
251           }
252         } else {
253           return SWIG_BADOBJ;
254         }
255       }
256 
257    Of course, returning the plain '0(success)/-1(fail)' still works, but you can be
258    more explicit by returning SWIG_BADOBJ, SWIG_ERROR or any of the
259    SWIG errors code.
260 
261    Finally, if the SWIG_CASTRANK_MODE is enabled, the result code
262    allows to return the 'cast rank', for example, if you have this
263 
264        int food(double)
265        int fooi(int);
266 
267    and you call
268 
269       food(1)   // cast rank '1'  (1 -> 1.0)
270       fooi(1)   // cast rank '0'
271 
272    just use the SWIG_AddCast()/SWIG_CheckState()
273 */
274 
275 #define SWIG_OK                    (0)
276 #define SWIG_ERROR                 (-1)
277 #define SWIG_IsOK(r)               (r >= 0)
278 #define SWIG_ArgError(r)           ((r != SWIG_ERROR) ? r : SWIG_TypeError)
279 
280 /* The CastRankLimit says how many bits are used for the cast rank */
281 #define SWIG_CASTRANKLIMIT         (1 << 8)
282 /* The NewMask denotes the object was created (using new/malloc) */
283 #define SWIG_NEWOBJMASK            (SWIG_CASTRANKLIMIT  << 1)
284 /* The TmpMask is for in/out typemaps that use temporal objects */
285 #define SWIG_TMPOBJMASK            (SWIG_NEWOBJMASK << 1)
286 /* Simple returning values */
287 #define SWIG_BADOBJ                (SWIG_ERROR)
288 #define SWIG_OLDOBJ                (SWIG_OK)
289 #define SWIG_NEWOBJ                (SWIG_OK | SWIG_NEWOBJMASK)
290 #define SWIG_TMPOBJ                (SWIG_OK | SWIG_TMPOBJMASK)
291 /* Check, add and del mask methods */
292 #define SWIG_AddNewMask(r)         (SWIG_IsOK(r) ? (r | SWIG_NEWOBJMASK) : r)
293 #define SWIG_DelNewMask(r)         (SWIG_IsOK(r) ? (r & ~SWIG_NEWOBJMASK) : r)
294 #define SWIG_IsNewObj(r)           (SWIG_IsOK(r) && (r & SWIG_NEWOBJMASK))
295 #define SWIG_AddTmpMask(r)         (SWIG_IsOK(r) ? (r | SWIG_TMPOBJMASK) : r)
296 #define SWIG_DelTmpMask(r)         (SWIG_IsOK(r) ? (r & ~SWIG_TMPOBJMASK) : r)
297 #define SWIG_IsTmpObj(r)           (SWIG_IsOK(r) && (r & SWIG_TMPOBJMASK))
298 
299 /* Cast-Rank Mode */
300 #if defined(SWIG_CASTRANK_MODE)
301 #  ifndef SWIG_TypeRank
302 #    define SWIG_TypeRank             unsigned long
303 #  endif
304 #  ifndef SWIG_MAXCASTRANK            /* Default cast allowed */
305 #    define SWIG_MAXCASTRANK          (2)
306 #  endif
307 #  define SWIG_CASTRANKMASK          ((SWIG_CASTRANKLIMIT) -1)
308 #  define SWIG_CastRank(r)           (r & SWIG_CASTRANKMASK)
SWIG_AddCast(int r)309 SWIGINTERNINLINE int SWIG_AddCast(int r) {
310   return SWIG_IsOK(r) ? ((SWIG_CastRank(r) < SWIG_MAXCASTRANK) ? (r + 1) : SWIG_ERROR) : r;
311 }
SWIG_CheckState(int r)312 SWIGINTERNINLINE int SWIG_CheckState(int r) {
313   return SWIG_IsOK(r) ? SWIG_CastRank(r) + 1 : 0;
314 }
315 #else /* no cast-rank mode */
316 #  define SWIG_AddCast(r) (r)
317 #  define SWIG_CheckState(r) (SWIG_IsOK(r) ? 1 : 0)
318 #endif
319 
320 
321 #include <string.h>
322 
323 #ifdef __cplusplus
324 extern "C" {
325 #endif
326 
327 typedef void *(*swig_converter_func)(void *, int *);
328 typedef struct swig_type_info *(*swig_dycast_func)(void **);
329 
330 /* Structure to store information on one type */
331 typedef struct swig_type_info {
332   const char             *name;			/* mangled name of this type */
333   const char             *str;			/* human readable name of this type */
334   swig_dycast_func        dcast;		/* dynamic cast function down a hierarchy */
335   struct swig_cast_info  *cast;			/* linked list of types that can cast into this type */
336   void                   *clientdata;		/* language specific type data */
337   int                    owndata;		/* flag if the structure owns the clientdata */
338 } swig_type_info;
339 
340 /* Structure to store a type and conversion function used for casting */
341 typedef struct swig_cast_info {
342   swig_type_info         *type;			/* pointer to type that is equivalent to this type */
343   swig_converter_func     converter;		/* function to cast the void pointers */
344   struct swig_cast_info  *next;			/* pointer to next cast in linked list */
345   struct swig_cast_info  *prev;			/* pointer to the previous cast */
346 } swig_cast_info;
347 
348 /* Structure used to store module information
349  * Each module generates one structure like this, and the runtime collects
350  * all of these structures and stores them in a circularly linked list.*/
351 typedef struct swig_module_info {
352   swig_type_info         **types;		/* Array of pointers to swig_type_info structures that are in this module */
353   size_t                 size;		        /* Number of types in this module */
354   struct swig_module_info *next;		/* Pointer to next element in circularly linked list */
355   swig_type_info         **type_initial;	/* Array of initially generated type structures */
356   swig_cast_info         **cast_initial;	/* Array of initially generated casting structures */
357   void                    *clientdata;		/* Language specific module data */
358 } swig_module_info;
359 
360 /*
361   Compare two type names skipping the space characters, therefore
362   "char*" == "char *" and "Class<int>" == "Class<int >", etc.
363 
364   Return 0 when the two name types are equivalent, as in
365   strncmp, but skipping ' '.
366 */
367 SWIGRUNTIME int
SWIG_TypeNameComp(const char * f1,const char * l1,const char * f2,const char * l2)368 SWIG_TypeNameComp(const char *f1, const char *l1,
369 		  const char *f2, const char *l2) {
370   for (;(f1 != l1) && (f2 != l2); ++f1, ++f2) {
371     while ((*f1 == ' ') && (f1 != l1)) ++f1;
372     while ((*f2 == ' ') && (f2 != l2)) ++f2;
373     if (*f1 != *f2) return (*f1 > *f2) ? 1 : -1;
374   }
375   return (int)((l1 - f1) - (l2 - f2));
376 }
377 
378 /*
379   Check type equivalence in a name list like <name1>|<name2>|...
380   Return 0 if equal, -1 if nb < tb, 1 if nb > tb
381 */
382 SWIGRUNTIME int
SWIG_TypeCmp(const char * nb,const char * tb)383 SWIG_TypeCmp(const char *nb, const char *tb) {
384   int equiv = 1;
385   const char* te = tb + strlen(tb);
386   const char* ne = nb;
387   while (equiv != 0 && *ne) {
388     for (nb = ne; *ne; ++ne) {
389       if (*ne == '|') break;
390     }
391     equiv = SWIG_TypeNameComp(nb, ne, tb, te);
392     if (*ne) ++ne;
393   }
394   return equiv;
395 }
396 
397 /*
398   Check type equivalence in a name list like <name1>|<name2>|...
399   Return 0 if not equal, 1 if equal
400 */
401 SWIGRUNTIME int
SWIG_TypeEquiv(const char * nb,const char * tb)402 SWIG_TypeEquiv(const char *nb, const char *tb) {
403   return SWIG_TypeCmp(nb, tb) == 0 ? 1 : 0;
404 }
405 
406 /*
407   Check the typename
408 */
409 SWIGRUNTIME swig_cast_info *
SWIG_TypeCheck(const char * c,swig_type_info * ty)410 SWIG_TypeCheck(const char *c, swig_type_info *ty) {
411   if (ty) {
412     swig_cast_info *iter = ty->cast;
413     while (iter) {
414       if (strcmp(iter->type->name, c) == 0) {
415         if (iter == ty->cast)
416           return iter;
417         /* Move iter to the top of the linked list */
418         iter->prev->next = iter->next;
419         if (iter->next)
420           iter->next->prev = iter->prev;
421         iter->next = ty->cast;
422         iter->prev = 0;
423         if (ty->cast) ty->cast->prev = iter;
424         ty->cast = iter;
425         return iter;
426       }
427       iter = iter->next;
428     }
429   }
430   return 0;
431 }
432 
433 /*
434   Identical to SWIG_TypeCheck, except strcmp is replaced with a pointer comparison
435 */
436 SWIGRUNTIME swig_cast_info *
SWIG_TypeCheckStruct(swig_type_info * from,swig_type_info * ty)437 SWIG_TypeCheckStruct(swig_type_info *from, swig_type_info *ty) {
438   if (ty) {
439     swig_cast_info *iter = ty->cast;
440     while (iter) {
441       if (iter->type == from) {
442         if (iter == ty->cast)
443           return iter;
444         /* Move iter to the top of the linked list */
445         iter->prev->next = iter->next;
446         if (iter->next)
447           iter->next->prev = iter->prev;
448         iter->next = ty->cast;
449         iter->prev = 0;
450         if (ty->cast) ty->cast->prev = iter;
451         ty->cast = iter;
452         return iter;
453       }
454       iter = iter->next;
455     }
456   }
457   return 0;
458 }
459 
460 /*
461   Cast a pointer up an inheritance hierarchy
462 */
463 SWIGRUNTIMEINLINE void *
SWIG_TypeCast(swig_cast_info * ty,void * ptr,int * newmemory)464 SWIG_TypeCast(swig_cast_info *ty, void *ptr, int *newmemory) {
465   return ((!ty) || (!ty->converter)) ? ptr : (*ty->converter)(ptr, newmemory);
466 }
467 
468 /*
469    Dynamic pointer casting. Down an inheritance hierarchy
470 */
471 SWIGRUNTIME swig_type_info *
SWIG_TypeDynamicCast(swig_type_info * ty,void ** ptr)472 SWIG_TypeDynamicCast(swig_type_info *ty, void **ptr) {
473   swig_type_info *lastty = ty;
474   if (!ty || !ty->dcast) return ty;
475   while (ty && (ty->dcast)) {
476     ty = (*ty->dcast)(ptr);
477     if (ty) lastty = ty;
478   }
479   return lastty;
480 }
481 
482 /*
483   Return the name associated with this type
484 */
485 SWIGRUNTIMEINLINE const char *
SWIG_TypeName(const swig_type_info * ty)486 SWIG_TypeName(const swig_type_info *ty) {
487   return ty->name;
488 }
489 
490 /*
491   Return the pretty name associated with this type,
492   that is an unmangled type name in a form presentable to the user.
493 */
494 SWIGRUNTIME const char *
SWIG_TypePrettyName(const swig_type_info * type)495 SWIG_TypePrettyName(const swig_type_info *type) {
496   /* The "str" field contains the equivalent pretty names of the
497      type, separated by vertical-bar characters.  We choose
498      to print the last name, as it is often (?) the most
499      specific. */
500   if (!type) return NULL;
501   if (type->str != NULL) {
502     const char *last_name = type->str;
503     const char *s;
504     for (s = type->str; *s; s++)
505       if (*s == '|') last_name = s+1;
506     return last_name;
507   }
508   else
509     return type->name;
510 }
511 
512 /*
513    Set the clientdata field for a type
514 */
515 SWIGRUNTIME void
SWIG_TypeClientData(swig_type_info * ti,void * clientdata)516 SWIG_TypeClientData(swig_type_info *ti, void *clientdata) {
517   swig_cast_info *cast = ti->cast;
518   /* if (ti->clientdata == clientdata) return; */
519   ti->clientdata = clientdata;
520 
521   while (cast) {
522     if (!cast->converter) {
523       swig_type_info *tc = cast->type;
524       if (!tc->clientdata) {
525 	SWIG_TypeClientData(tc, clientdata);
526       }
527     }
528     cast = cast->next;
529   }
530 }
531 SWIGRUNTIME void
SWIG_TypeNewClientData(swig_type_info * ti,void * clientdata)532 SWIG_TypeNewClientData(swig_type_info *ti, void *clientdata) {
533   SWIG_TypeClientData(ti, clientdata);
534   ti->owndata = 1;
535 }
536 
537 /*
538   Search for a swig_type_info structure only by mangled name
539   Search is a O(log #types)
540 
541   We start searching at module start, and finish searching when start == end.
542   Note: if start == end at the beginning of the function, we go all the way around
543   the circular list.
544 */
545 SWIGRUNTIME swig_type_info *
SWIG_MangledTypeQueryModule(swig_module_info * start,swig_module_info * end,const char * name)546 SWIG_MangledTypeQueryModule(swig_module_info *start,
547                             swig_module_info *end,
548 		            const char *name) {
549   swig_module_info *iter = start;
550   do {
551     if (iter->size) {
552       register size_t l = 0;
553       register size_t r = iter->size - 1;
554       do {
555 	/* since l+r >= 0, we can (>> 1) instead (/ 2) */
556 	register size_t i = (l + r) >> 1;
557 	const char *iname = iter->types[i]->name;
558 	if (iname) {
559 	  register int compare = strcmp(name, iname);
560 	  if (compare == 0) {
561 	    return iter->types[i];
562 	  } else if (compare < 0) {
563 	    if (i) {
564 	      r = i - 1;
565 	    } else {
566 	      break;
567 	    }
568 	  } else if (compare > 0) {
569 	    l = i + 1;
570 	  }
571 	} else {
572 	  break; /* should never happen */
573 	}
574       } while (l <= r);
575     }
576     iter = iter->next;
577   } while (iter != end);
578   return 0;
579 }
580 
581 /*
582   Search for a swig_type_info structure for either a mangled name or a human readable name.
583   It first searches the mangled names of the types, which is a O(log #types)
584   If a type is not found it then searches the human readable names, which is O(#types).
585 
586   We start searching at module start, and finish searching when start == end.
587   Note: if start == end at the beginning of the function, we go all the way around
588   the circular list.
589 */
590 SWIGRUNTIME swig_type_info *
SWIG_TypeQueryModule(swig_module_info * start,swig_module_info * end,const char * name)591 SWIG_TypeQueryModule(swig_module_info *start,
592                      swig_module_info *end,
593 		     const char *name) {
594   /* STEP 1: Search the name field using binary search */
595   swig_type_info *ret = SWIG_MangledTypeQueryModule(start, end, name);
596   if (ret) {
597     return ret;
598   } else {
599     /* STEP 2: If the type hasn't been found, do a complete search
600        of the str field (the human readable name) */
601     swig_module_info *iter = start;
602     do {
603       register size_t i = 0;
604       for (; i < iter->size; ++i) {
605 	if (iter->types[i]->str && (SWIG_TypeEquiv(iter->types[i]->str, name)))
606 	  return iter->types[i];
607       }
608       iter = iter->next;
609     } while (iter != end);
610   }
611 
612   /* neither found a match */
613   return 0;
614 }
615 
616 /*
617    Pack binary data into a string
618 */
619 SWIGRUNTIME char *
SWIG_PackData(char * c,void * ptr,size_t sz)620 SWIG_PackData(char *c, void *ptr, size_t sz) {
621   static const char hex[17] = "0123456789abcdef";
622   register const unsigned char *u = (unsigned char *) ptr;
623   register const unsigned char *eu =  u + sz;
624   for (; u != eu; ++u) {
625     register unsigned char uu = *u;
626     *(c++) = hex[(uu & 0xf0) >> 4];
627     *(c++) = hex[uu & 0xf];
628   }
629   return c;
630 }
631 
632 /*
633    Unpack binary data from a string
634 */
635 SWIGRUNTIME const char *
SWIG_UnpackData(const char * c,void * ptr,size_t sz)636 SWIG_UnpackData(const char *c, void *ptr, size_t sz) {
637   register unsigned char *u = (unsigned char *) ptr;
638   register const unsigned char *eu = u + sz;
639   for (; u != eu; ++u) {
640     register char d = *(c++);
641     register unsigned char uu;
642     if ((d >= '0') && (d <= '9'))
643       uu = ((d - '0') << 4);
644     else if ((d >= 'a') && (d <= 'f'))
645       uu = ((d - ('a'-10)) << 4);
646     else
647       return (char *) 0;
648     d = *(c++);
649     if ((d >= '0') && (d <= '9'))
650       uu |= (d - '0');
651     else if ((d >= 'a') && (d <= 'f'))
652       uu |= (d - ('a'-10));
653     else
654       return (char *) 0;
655     *u = uu;
656   }
657   return c;
658 }
659 
660 /*
661    Pack 'void *' into a string buffer.
662 */
663 SWIGRUNTIME char *
SWIG_PackVoidPtr(char * buff,void * ptr,const char * name,size_t bsz)664 SWIG_PackVoidPtr(char *buff, void *ptr, const char *name, size_t bsz) {
665   char *r = buff;
666   if ((2*sizeof(void *) + 2) > bsz) return 0;
667   *(r++) = '_';
668   r = SWIG_PackData(r,&ptr,sizeof(void *));
669   if (strlen(name) + 1 > (bsz - (r - buff))) return 0;
670   strcpy(r,name);
671   return buff;
672 }
673 
674 SWIGRUNTIME const char *
SWIG_UnpackVoidPtr(const char * c,void ** ptr,const char * name)675 SWIG_UnpackVoidPtr(const char *c, void **ptr, const char *name) {
676   if (*c != '_') {
677     if (strcmp(c,"NULL") == 0) {
678       *ptr = (void *) 0;
679       return name;
680     } else {
681       return 0;
682     }
683   }
684   return SWIG_UnpackData(++c,ptr,sizeof(void *));
685 }
686 
687 SWIGRUNTIME char *
SWIG_PackDataName(char * buff,void * ptr,size_t sz,const char * name,size_t bsz)688 SWIG_PackDataName(char *buff, void *ptr, size_t sz, const char *name, size_t bsz) {
689   char *r = buff;
690   size_t lname = (name ? strlen(name) : 0);
691   if ((2*sz + 2 + lname) > bsz) return 0;
692   *(r++) = '_';
693   r = SWIG_PackData(r,ptr,sz);
694   if (lname) {
695     strncpy(r,name,lname+1);
696   } else {
697     *r = 0;
698   }
699   return buff;
700 }
701 
702 SWIGRUNTIME const char *
SWIG_UnpackDataName(const char * c,void * ptr,size_t sz,const char * name)703 SWIG_UnpackDataName(const char *c, void *ptr, size_t sz, const char *name) {
704   if (*c != '_') {
705     if (strcmp(c,"NULL") == 0) {
706       memset(ptr,0,sz);
707       return name;
708     } else {
709       return 0;
710     }
711   }
712   return SWIG_UnpackData(++c,ptr,sz);
713 }
714 
715 #ifdef __cplusplus
716 }
717 #endif
718 
719 
720 #ifdef __cplusplus
721 extern "C" {
722 #endif
723 
724 /* for raw pointer */
725 #define SWIG_ConvertPtr(obj, pptr, type, flags)         SWIG_R_ConvertPtr(obj, pptr, type, flags)
726 #define SWIG_ConvertPtrAndOwn(obj,pptr,type,flags,own)  SWIG_R_ConvertPtr(obj, pptr, type, flags)
727 #define SWIG_NewPointerObj(ptr, type, flags)            SWIG_R_NewPointerObj(ptr, type, flags)
728 
729 
730 /* Remove global namespace pollution */
731 #if !defined(SWIG_NO_R_NO_REMAP)
732 # define R_NO_REMAP
733 #endif
734 #if !defined(SWIG_NO_STRICT_R_HEADERS)
735 # define STRICT_R_HEADERS
736 #endif
737 
738 #include <Rdefines.h>
739 #include <Rversion.h>
740 #include <stdlib.h>
741 #include <assert.h>
742 
743 #if R_VERSION >= R_Version(2,6,0)
744 #define VMAXTYPE void *
745 #else
746 #define VMAXTYPE char *
747 #endif
748 
749 /*
750   This is mainly a way to avoid having lots of local variables that may
751   conflict with those in the routine.
752 
753    Change name to R_SWIG_Callb....
754 */
755 typedef struct RCallbackFunctionData {
756 
757   SEXP fun;
758   SEXP userData;
759 
760 
761   SEXP expr;
762   SEXP retValue;
763   int errorOccurred;
764 
765   SEXP el;  /* Temporary pointer used in the construction of the expression to call the R function. */
766 
767   struct RCallbackFunctionData *previous;   /* Stack */
768 
769 } RCallbackFunctionData;
770 
771 static RCallbackFunctionData  *callbackFunctionDataStack;
772 
773 
774 SWIGRUNTIME SEXP
R_SWIG_debug_getCallbackFunctionData()775 R_SWIG_debug_getCallbackFunctionData()
776 {
777   int n, i;
778   SEXP ans;
779   RCallbackFunctionData  *p = callbackFunctionDataStack;
780 
781   n = 0;
782   while(p) {
783     n++;
784     p = p->previous;
785   }
786 
787   Rf_protect(ans = Rf_allocVector(VECSXP, n));
788   for(p = callbackFunctionDataStack, i = 0; i < n; p = p->previous, i++)
789       SET_VECTOR_ELT(ans, i, p->fun);
790 
791   Rf_unprotect(1);
792 
793   return(ans);
794 }
795 
796 
797 
798 SWIGRUNTIME RCallbackFunctionData *
R_SWIG_pushCallbackFunctionData(SEXP fun,SEXP userData)799 R_SWIG_pushCallbackFunctionData(SEXP fun, SEXP userData)
800 {
801    RCallbackFunctionData *el;
802    el = (RCallbackFunctionData *) calloc(1, sizeof(RCallbackFunctionData));
803    el->fun = fun;
804    el->userData = userData;
805    el->previous = callbackFunctionDataStack;
806 
807    callbackFunctionDataStack = el;
808 
809    return(el);
810 }
811 
812 
813 SWIGRUNTIME SEXP
R_SWIG_R_pushCallbackFunctionData(SEXP fun,SEXP userData)814 R_SWIG_R_pushCallbackFunctionData(SEXP fun, SEXP userData)
815 {
816     R_SWIG_pushCallbackFunctionData(fun, userData);
817     return R_NilValue;
818 }
819 
820 SWIGRUNTIME RCallbackFunctionData *
R_SWIG_getCallbackFunctionData()821 R_SWIG_getCallbackFunctionData()
822 {
823   if(!callbackFunctionDataStack) {
824     Rf_error("Supposedly impossible error occurred in the SWIG callback mechanism."
825             "  No callback function data set.");
826   }
827 
828   return callbackFunctionDataStack;
829 }
830 
831 SWIGRUNTIME void
R_SWIG_popCallbackFunctionData(int doFree)832 R_SWIG_popCallbackFunctionData(int doFree)
833 {
834   RCallbackFunctionData  *el = NULL;
835   if(!callbackFunctionDataStack)
836     return ; /* Error !!! */
837 
838   el = callbackFunctionDataStack ;
839   callbackFunctionDataStack = callbackFunctionDataStack->previous;
840 
841   if(doFree)
842      free(el);
843 }
844 
845 
846 /*
847   Interface to S function
848       is(obj, type)
849   which is to be used to determine if an
850   external pointer inherits from the right class.
851 
852   Ideally, we would like to be able to do this without an explicit call to the is() function.
853   When the S4 class system uses its own SEXP types, then we will hopefully be able to do this
854   in the C code.
855 
856   Should we make the expression static and preserve it to avoid the overhead of
857   allocating each time.
858 */
859 SWIGRUNTIME int
R_SWIG_checkInherits(SEXP obj,SEXP tag,const char * type)860 R_SWIG_checkInherits(SEXP obj, SEXP tag, const char *type)
861 {
862   SEXP e, val;
863   int check_err = 0;
864 
865   Rf_protect(e = Rf_allocVector(LANGSXP, 3));
866   SETCAR(e, Rf_install("extends"));
867 
868   SETCAR(CDR(e), Rf_mkString(CHAR(PRINTNAME(tag))));
869   SETCAR(CDR(CDR(e)), Rf_mkString(type));
870 
871   val = R_tryEval(e, R_GlobalEnv, &check_err);
872   Rf_unprotect(1);
873   if(check_err)
874     return(0);
875 
876 
877   return(LOGICAL(val)[0]);
878 }
879 
880 
881 SWIGRUNTIME void *
R_SWIG_resolveExternalRef(SEXP arg,const char * const type,const char * const argName,Rboolean nullOk)882 R_SWIG_resolveExternalRef(SEXP arg, const char * const type, const char * const argName, Rboolean nullOk)
883 {
884   void *ptr;
885   SEXP orig = arg;
886 
887   if(TYPEOF(arg) != EXTPTRSXP)
888     arg = GET_SLOT(arg, Rf_mkString("ref"));
889 
890 
891   if(TYPEOF(arg) != EXTPTRSXP) {
892     Rf_error("argument %s must be an external pointer (from an ExternalReference)", argName);
893   }
894 
895 
896   ptr = R_ExternalPtrAddr(arg);
897 
898   if(ptr == NULL && nullOk == (Rboolean) FALSE) {
899     Rf_error("the external pointer (of type %s) for argument %s has value NULL", argName, type);
900   }
901 
902   if(type[0] && R_ExternalPtrTag(arg) != Rf_install(type) && strcmp(type, "voidRef")
903       && !R_SWIG_checkInherits(orig,  R_ExternalPtrTag(arg), type)) {
904     Rf_error("the external pointer for argument %s has tag %s, not the expected value %s",
905              argName, CHAR(PRINTNAME(R_ExternalPtrTag(arg))), type);
906   }
907 
908 
909   return(ptr);
910 }
911 
912 SWIGRUNTIME void
R_SWIG_ReferenceFinalizer(SEXP el)913 R_SWIG_ReferenceFinalizer(SEXP el)
914 {
915   void *ptr = R_SWIG_resolveExternalRef(el, "", "<finalizer>",  (Rboolean) 1);
916   fprintf(stderr, "In R_SWIG_ReferenceFinalizer for %p\n", ptr);
917   Rf_PrintValue(el);
918 
919   if(ptr) {
920      if(TYPEOF(el) != EXTPTRSXP)
921         el = GET_SLOT(el, Rf_mkString("ref"));
922 
923      if(TYPEOF(el) == EXTPTRSXP)
924         R_ClearExternalPtr(el);
925 
926      free(ptr);
927   }
928 
929   return;
930 }
931 
932 typedef enum {R_SWIG_EXTERNAL, R_SWIG_OWNER } R_SWIG_Owner;
933 
934 SWIGRUNTIME SEXP
SWIG_MakePtr(void * ptr,const char * typeName,R_SWIG_Owner owner)935 SWIG_MakePtr(void *ptr, const char *typeName, R_SWIG_Owner owner)
936 {
937   SEXP external, r_obj;
938   const char *p = typeName;
939 
940   if(typeName[0] == '_')
941      p = typeName + 1;
942 
943   Rf_protect(external = R_MakeExternalPtr(ptr, Rf_install(typeName), R_NilValue));
944   Rf_protect(r_obj = NEW_OBJECT(MAKE_CLASS((char *) typeName)));
945 
946   if(owner)
947     R_RegisterCFinalizer(external, R_SWIG_ReferenceFinalizer);
948 
949   r_obj = SET_SLOT(r_obj, Rf_mkString((char *) "ref"), external);
950   SET_S4_OBJECT(r_obj);
951   Rf_unprotect(2);
952 
953   return(r_obj);
954 }
955 
956 
957 SWIGRUNTIME SEXP
R_SWIG_create_SWIG_R_Array(const char * typeName,SEXP ref,int len)958 R_SWIG_create_SWIG_R_Array(const char *typeName, SEXP ref, int len)
959 {
960    SEXP arr;
961 
962 /*XXX remove the char * cast when we can. MAKE_CLASS should be declared appropriately. */
963    Rf_protect(arr = NEW_OBJECT(MAKE_CLASS((char *) typeName)));
964    Rf_protect(arr = R_do_slot_assign(arr, Rf_mkString("ref"), ref));
965    Rf_protect(arr = R_do_slot_assign(arr, Rf_mkString("dims"), Rf_ScalarInteger(len)));
966 
967    Rf_unprotect(3);
968    SET_S4_OBJECT(arr);
969    return arr;
970 }
971 
972 #define ADD_OUTPUT_ARG(result, pos, value, name)  r_ans = AddOutputArgToReturn(pos, value, name, OutputValues);
973 
974 SWIGRUNTIME SEXP
AddOutputArgToReturn(int pos,SEXP value,const char * name,SEXP output)975 AddOutputArgToReturn(int pos, SEXP value, const char *name, SEXP output)
976 {
977   SET_VECTOR_ELT(output, pos, value);
978 
979   return(output);
980 }
981 
982 /* Create a new pointer object */
983 SWIGRUNTIMEINLINE SEXP
SWIG_R_NewPointerObj(void * ptr,swig_type_info * type,int flags)984 SWIG_R_NewPointerObj(void *ptr, swig_type_info *type, int flags) {
985   SEXP rptr = R_MakeExternalPtr(ptr,
986   R_MakeExternalPtr(type, R_NilValue, R_NilValue), R_NilValue);
987   SET_S4_OBJECT(rptr);
988   return rptr;
989 }
990 
991 
992 /* Convert a pointer value */
993 SWIGRUNTIMEINLINE int
SWIG_R_ConvertPtr(SEXP obj,void ** ptr,swig_type_info * ty,int flags)994 SWIG_R_ConvertPtr(SEXP obj, void **ptr, swig_type_info *ty, int flags) {
995   void *vptr;
996   if (!obj) return SWIG_ERROR;
997   if (obj == R_NilValue) {
998     if (ptr) *ptr = NULL;
999     return SWIG_OK;
1000   }
1001 
1002   vptr = R_ExternalPtrAddr(obj);
1003   if (ty) {
1004     swig_type_info *to = (swig_type_info*)
1005       R_ExternalPtrAddr(R_ExternalPtrTag(obj));
1006     if (to == ty) {
1007       if (ptr) *ptr = vptr;
1008     } else {
1009       swig_cast_info *tc = SWIG_TypeCheck(to->name,ty);
1010       int newmemory = 0;
1011       if (ptr) *ptr = SWIG_TypeCast(tc,vptr,&newmemory);
1012       assert(!newmemory); /* newmemory handling not yet implemented */
1013     }
1014   } else {
1015       if (ptr) *ptr = vptr;
1016  }
1017   return SWIG_OK;
1018 }
1019 
1020 SWIGRUNTIME swig_module_info *
SWIG_GetModule(void * SWIGUNUSEDPARM (clientdata))1021 SWIG_GetModule(void *SWIGUNUSEDPARM(clientdata)) {
1022   static void *type_pointer = (void *)0;
1023   return (swig_module_info *) type_pointer;
1024 }
1025 
1026 SWIGRUNTIME void
SWIG_SetModule(void * v,swig_module_info * swig_module)1027 SWIG_SetModule(void *v, swig_module_info *swig_module) {
1028 }
1029 
1030 typedef struct {
1031   void *pack;
1032   swig_type_info *ty;
1033   size_t size;
1034 } RSwigPacked;
1035 
1036 /* Create a new packed object */
1037 
RSwigPacked_New(void * ptr,size_t sz,swig_type_info * ty)1038 SWIGRUNTIMEINLINE SEXP RSwigPacked_New(void *ptr, size_t sz,
1039 		  swig_type_info *ty) {
1040   SEXP rptr;
1041   RSwigPacked *sobj =
1042   (RSwigPacked*) malloc(sizeof(RSwigPacked));
1043   if (sobj) {
1044     void *pack = malloc(sz);
1045     if (pack) {
1046       memcpy(pack, ptr, sz);
1047       sobj->pack = pack;
1048       sobj->ty   = ty;
1049       sobj->size = sz;
1050     } else {
1051       sobj = 0;
1052     }
1053   }
1054   rptr = R_MakeExternalPtr(sobj, R_NilValue, R_NilValue);
1055   return rptr;
1056 }
1057 
1058 SWIGRUNTIME swig_type_info *
RSwigPacked_UnpackData(SEXP obj,void * ptr,size_t size)1059 RSwigPacked_UnpackData(SEXP obj, void *ptr, size_t size)
1060 {
1061     RSwigPacked *sobj =
1062         (RSwigPacked *)R_ExternalPtrAddr(obj);
1063     if (sobj->size != size) return 0;
1064     memcpy(ptr, sobj->pack, size);
1065     return sobj->ty;
1066 }
1067 
1068 SWIGRUNTIMEINLINE SEXP
SWIG_R_NewPackedObj(void * ptr,size_t sz,swig_type_info * type)1069 SWIG_R_NewPackedObj(void *ptr, size_t sz, swig_type_info *type) {
1070   return ptr ? RSwigPacked_New((void *) ptr, sz, type) : R_NilValue;
1071 }
1072 
1073 /* Convert a packed value value */
1074 
1075 SWIGRUNTIME int
SWIG_R_ConvertPacked(SEXP obj,void * ptr,size_t sz,swig_type_info * ty)1076 SWIG_R_ConvertPacked(SEXP obj, void *ptr, size_t sz, swig_type_info *ty) {
1077   swig_type_info *to = RSwigPacked_UnpackData(obj, ptr, sz);
1078   if (!to) return SWIG_ERROR;
1079   if (ty) {
1080     if (to != ty) {
1081       /* check type cast? */
1082       swig_cast_info *tc = SWIG_TypeCheck(to->name,ty);
1083       if (!tc) return SWIG_ERROR;
1084     }
1085   }
1086   return SWIG_OK;
1087 }
1088 
1089 #ifdef __cplusplus
1090 #include <exception>
1091 #define SWIG_exception_noreturn(code, msg) do { throw std::runtime_error(msg); } while(0)
1092 #else
1093 #define SWIG_exception_noreturn(code, msg) do { return result; } while(0)
1094 #endif
1095 
1096 #ifdef __cplusplus
1097 }
1098 #endif
1099 
1100 
1101 
1102 #define SWIG_exception_fail(code, msg) do { Rf_warning(msg); return Rf_ScalarLogical(NA_LOGICAL); return Rf_ScalarLogical(NA_LOGICAL); } while(0)
1103 
1104 #define SWIG_contract_assert(expr, msg) if (!(expr)) { Rf_warning(msg); return Rf_ScalarLogical(NA_LOGICAL); return Rf_ScalarLogical(NA_LOGICAL); } else
1105 
1106 
1107 
1108   #define SWIG_exception(code, msg) do { switch (code) {case SWIG_IndexError: return Rf_ScalarLogical(NA_LOGICAL); default: Rf_warning(msg); return Rf_ScalarLogical(NA_LOGICAL); return Rf_ScalarLogical(NA_LOGICAL);}; } while(0)
1109 
1110 
1111 
1112 /* -------- TYPES TABLE (BEGIN) -------- */
1113 
1114 #define SWIGTYPE_p_ConstRefIter swig_types[0]
1115 #define SWIGTYPE_p_Mapping swig_types[1]
1116 #define SWIGTYPE_p_Mappings swig_types[2]
1117 #define SWIGTYPE_p_OpMap swig_types[3]
1118 #define SWIGTYPE_p_OpenBabel__AliasData swig_types[4]
1119 #define SWIGTYPE_p_OpenBabel__CharPtrLess swig_types[5]
1120 #define SWIGTYPE_p_OpenBabel__DoubleType swig_types[6]
1121 #define SWIGTYPE_p_OpenBabel__FastSearch swig_types[7]
1122 #define SWIGTYPE_p_OpenBabel__FastSearchIndexer swig_types[8]
1123 #define SWIGTYPE_p_OpenBabel__FptIndex swig_types[9]
1124 #define SWIGTYPE_p_OpenBabel__FptIndexHeader swig_types[10]
1125 #define SWIGTYPE_p_OpenBabel__LineSearchType swig_types[11]
1126 #define SWIGTYPE_p_OpenBabel__OBAlign swig_types[12]
1127 #define SWIGTYPE_p_OpenBabel__OBAngle swig_types[13]
1128 #define SWIGTYPE_p_OpenBabel__OBAngleData swig_types[14]
1129 #define SWIGTYPE_p_OpenBabel__OBAromaticTyper swig_types[15]
1130 #define SWIGTYPE_p_OpenBabel__OBAtom swig_types[16]
1131 #define SWIGTYPE_p_OpenBabel__OBAtomAtomIter swig_types[17]
1132 #define SWIGTYPE_p_OpenBabel__OBAtomBondIter swig_types[18]
1133 #define SWIGTYPE_p_OpenBabel__OBAtomClassData swig_types[19]
1134 #define SWIGTYPE_p_OpenBabel__OBAtomHOF swig_types[20]
1135 #define SWIGTYPE_p_OpenBabel__OBAtomTyper swig_types[21]
1136 #define SWIGTYPE_p_OpenBabel__OBAtomicHeatOfFormationTable swig_types[22]
1137 #define SWIGTYPE_p_OpenBabel__OBBase swig_types[23]
1138 #define SWIGTYPE_p_OpenBabel__OBBitVec swig_types[24]
1139 #define SWIGTYPE_p_OpenBabel__OBBond swig_types[25]
1140 #define SWIGTYPE_p_OpenBabel__OBBuilder swig_types[26]
1141 #define SWIGTYPE_p_OpenBabel__OBChainsParser swig_types[27]
1142 #define SWIGTYPE_p_OpenBabel__OBChargeModel swig_types[28]
1143 #define SWIGTYPE_p_OpenBabel__OBChiralData swig_types[29]
1144 #define SWIGTYPE_p_OpenBabel__OBCisTransConfig swig_types[30]
1145 #define SWIGTYPE_p_OpenBabel__OBCisTransStereo swig_types[31]
1146 #define SWIGTYPE_p_OpenBabel__OBCommentData swig_types[32]
1147 #define SWIGTYPE_p_OpenBabel__OBConformerData swig_types[33]
1148 #define SWIGTYPE_p_OpenBabel__OBConformerFilter swig_types[34]
1149 #define SWIGTYPE_p_OpenBabel__OBConformerFilters swig_types[35]
1150 #define SWIGTYPE_p_OpenBabel__OBConformerScore swig_types[36]
1151 #define SWIGTYPE_p_OpenBabel__OBConformerSearch swig_types[37]
1152 #define SWIGTYPE_p_OpenBabel__OBConversion swig_types[38]
1153 #define SWIGTYPE_p_OpenBabel__OBDOSData swig_types[39]
1154 #define SWIGTYPE_p_OpenBabel__OBDescriptor swig_types[40]
1155 #define SWIGTYPE_p_OpenBabel__OBElectronicTransitionData swig_types[41]
1156 #define SWIGTYPE_p_OpenBabel__OBElement swig_types[42]
1157 #define SWIGTYPE_p_OpenBabel__OBElementTable swig_types[43]
1158 #define SWIGTYPE_p_OpenBabel__OBEnergyConformerScore swig_types[44]
1159 #define SWIGTYPE_p_OpenBabel__OBError swig_types[45]
1160 #define SWIGTYPE_p_OpenBabel__OBExternalBond swig_types[46]
1161 #define SWIGTYPE_p_OpenBabel__OBExternalBondData swig_types[47]
1162 #define SWIGTYPE_p_OpenBabel__OBFFCalculation2 swig_types[48]
1163 #define SWIGTYPE_p_OpenBabel__OBFFCalculation3 swig_types[49]
1164 #define SWIGTYPE_p_OpenBabel__OBFFCalculation4 swig_types[50]
1165 #define SWIGTYPE_p_OpenBabel__OBFFConstraint swig_types[51]
1166 #define SWIGTYPE_p_OpenBabel__OBFFConstraints swig_types[52]
1167 #define SWIGTYPE_p_OpenBabel__OBFFParameter swig_types[53]
1168 #define SWIGTYPE_p_OpenBabel__OBFingerprint swig_types[54]
1169 #define SWIGTYPE_p_OpenBabel__OBForceField swig_types[55]
1170 #define SWIGTYPE_p_OpenBabel__OBFormat swig_types[56]
1171 #define SWIGTYPE_p_OpenBabel__OBFreeGrid swig_types[57]
1172 #define SWIGTYPE_p_OpenBabel__OBFreeGridPoint swig_types[58]
1173 #define SWIGTYPE_p_OpenBabel__OBGenericData swig_types[59]
1174 #define SWIGTYPE_p_OpenBabel__OBGlobalDataBase swig_types[60]
1175 #define SWIGTYPE_p_OpenBabel__OBGraphSym swig_types[61]
1176 #define SWIGTYPE_p_OpenBabel__OBGridData swig_types[62]
1177 #define SWIGTYPE_p_OpenBabel__OBInternalCoord swig_types[63]
1178 #define SWIGTYPE_p_OpenBabel__OBIsomorphismMapper swig_types[64]
1179 #define SWIGTYPE_p_OpenBabel__OBIsomorphismMapper__Functor swig_types[65]
1180 #define SWIGTYPE_p_OpenBabel__OBIsotopeTable swig_types[66]
1181 #define SWIGTYPE_p_OpenBabel__OBMatrixData swig_types[67]
1182 #define SWIGTYPE_p_OpenBabel__OBMessageHandler swig_types[68]
1183 #define SWIGTYPE_p_OpenBabel__OBMinimizingEnergyConformerScore swig_types[69]
1184 #define SWIGTYPE_p_OpenBabel__OBMinimizingRMSDConformerScore swig_types[70]
1185 #define SWIGTYPE_p_OpenBabel__OBMol swig_types[71]
1186 #define SWIGTYPE_p_OpenBabel__OBMolAngleIter swig_types[72]
1187 #define SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter swig_types[73]
1188 #define SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter swig_types[74]
1189 #define SWIGTYPE_p_OpenBabel__OBMolAtomIter swig_types[75]
1190 #define SWIGTYPE_p_OpenBabel__OBMolBondBFSIter swig_types[76]
1191 #define SWIGTYPE_p_OpenBabel__OBMolBondIter swig_types[77]
1192 #define SWIGTYPE_p_OpenBabel__OBMolPairIter swig_types[78]
1193 #define SWIGTYPE_p_OpenBabel__OBMolRingIter swig_types[79]
1194 #define SWIGTYPE_p_OpenBabel__OBMolTorsionIter swig_types[80]
1195 #define SWIGTYPE_p_OpenBabel__OBNasaThermoData swig_types[81]
1196 #define SWIGTYPE_p_OpenBabel__OBOp swig_types[82]
1197 #define SWIGTYPE_p_OpenBabel__OBOrbital swig_types[83]
1198 #define SWIGTYPE_p_OpenBabel__OBOrbitalData swig_types[84]
1199 #define SWIGTYPE_p_OpenBabel__OBPairData swig_types[85]
1200 #define SWIGTYPE_p_OpenBabel__OBPairTemplateT_bool_t swig_types[86]
1201 #define SWIGTYPE_p_OpenBabel__OBPairTemplateT_double_t swig_types[87]
1202 #define SWIGTYPE_p_OpenBabel__OBPairTemplateT_int_t swig_types[88]
1203 #define SWIGTYPE_p_OpenBabel__OBPlugin swig_types[89]
1204 #define SWIGTYPE_p_OpenBabel__OBPlugin__PluginMapType__const_iterator swig_types[90]
1205 #define SWIGTYPE_p_OpenBabel__OBQuery swig_types[91]
1206 #define SWIGTYPE_p_OpenBabel__OBQueryAtom swig_types[92]
1207 #define SWIGTYPE_p_OpenBabel__OBQueryBond swig_types[93]
1208 #define SWIGTYPE_p_OpenBabel__OBRMSDConformerScore swig_types[94]
1209 #define SWIGTYPE_p_OpenBabel__OBRTree swig_types[95]
1210 #define SWIGTYPE_p_OpenBabel__OBRandom swig_types[96]
1211 #define SWIGTYPE_p_OpenBabel__OBRateData swig_types[97]
1212 #define SWIGTYPE_p_OpenBabel__OBReaction swig_types[98]
1213 #define SWIGTYPE_p_OpenBabel__OBResidue swig_types[99]
1214 #define SWIGTYPE_p_OpenBabel__OBResidueAtomIter swig_types[100]
1215 #define SWIGTYPE_p_OpenBabel__OBResidueData swig_types[101]
1216 #define SWIGTYPE_p_OpenBabel__OBResidueIter swig_types[102]
1217 #define SWIGTYPE_p_OpenBabel__OBRing swig_types[103]
1218 #define SWIGTYPE_p_OpenBabel__OBRingData swig_types[104]
1219 #define SWIGTYPE_p_OpenBabel__OBRingSearch swig_types[105]
1220 #define SWIGTYPE_p_OpenBabel__OBRingTyper swig_types[106]
1221 #define SWIGTYPE_p_OpenBabel__OBRotamerList swig_types[107]
1222 #define SWIGTYPE_p_OpenBabel__OBRotationData swig_types[108]
1223 #define SWIGTYPE_p_OpenBabel__OBRotor swig_types[109]
1224 #define SWIGTYPE_p_OpenBabel__OBRotorKeys swig_types[110]
1225 #define SWIGTYPE_p_OpenBabel__OBRotorList swig_types[111]
1226 #define SWIGTYPE_p_OpenBabel__OBRotorRule swig_types[112]
1227 #define SWIGTYPE_p_OpenBabel__OBRotorRules swig_types[113]
1228 #define SWIGTYPE_p_OpenBabel__OBSSMatch swig_types[114]
1229 #define SWIGTYPE_p_OpenBabel__OBSerialNums swig_types[115]
1230 #define SWIGTYPE_p_OpenBabel__OBSetData swig_types[116]
1231 #define SWIGTYPE_p_OpenBabel__OBSmartsMatcher swig_types[117]
1232 #define SWIGTYPE_p_OpenBabel__OBSmartsPattern swig_types[118]
1233 #define SWIGTYPE_p_OpenBabel__OBSpectrophore swig_types[119]
1234 #define SWIGTYPE_p_OpenBabel__OBSqrtTbl swig_types[120]
1235 #define SWIGTYPE_p_OpenBabel__OBSquarePlanarConfig swig_types[121]
1236 #define SWIGTYPE_p_OpenBabel__OBSquarePlanarStereo swig_types[122]
1237 #define SWIGTYPE_p_OpenBabel__OBStereo swig_types[123]
1238 #define SWIGTYPE_p_OpenBabel__OBStereoBase swig_types[124]
1239 #define SWIGTYPE_p_OpenBabel__OBStereoFacade swig_types[125]
1240 #define SWIGTYPE_p_OpenBabel__OBStereoUnit swig_types[126]
1241 #define SWIGTYPE_p_OpenBabel__OBStericConformerFilter swig_types[127]
1242 #define SWIGTYPE_p_OpenBabel__OBStopwatch swig_types[128]
1243 #define SWIGTYPE_p_OpenBabel__OBSymmetryData swig_types[129]
1244 #define SWIGTYPE_p_OpenBabel__OBTetraNonPlanarStereo swig_types[130]
1245 #define SWIGTYPE_p_OpenBabel__OBTetraPlanarStereo swig_types[131]
1246 #define SWIGTYPE_p_OpenBabel__OBTetrahedralConfig swig_types[132]
1247 #define SWIGTYPE_p_OpenBabel__OBTetrahedralStereo swig_types[133]
1248 #define SWIGTYPE_p_OpenBabel__OBTorsion swig_types[134]
1249 #define SWIGTYPE_p_OpenBabel__OBTorsionData swig_types[135]
1250 #define SWIGTYPE_p_OpenBabel__OBTypeTable swig_types[136]
1251 #define SWIGTYPE_p_OpenBabel__OBUnitCell swig_types[137]
1252 #define SWIGTYPE_p_OpenBabel__OBVectorData swig_types[138]
1253 #define SWIGTYPE_p_OpenBabel__OBVibrationData swig_types[139]
1254 #define SWIGTYPE_p_OpenBabel__OBVirtualBond swig_types[140]
1255 #define SWIGTYPE_p_OpenBabel__Pattern swig_types[141]
1256 #define SWIGTYPE_p_OpenBabel__SpaceGroup swig_types[142]
1257 #define SWIGTYPE_p_OpenBabel__Template swig_types[143]
1258 #define SWIGTYPE_p_OpenBabel__matrix3x3 swig_types[144]
1259 #define SWIGTYPE_p_OpenBabel__obLogBuf swig_types[145]
1260 #define SWIGTYPE_p_OpenBabel__quadT_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t swig_types[146]
1261 #define SWIGTYPE_p_OpenBabel__rotor_digit swig_types[147]
1262 #define SWIGTYPE_p_OpenBabel__transform3d swig_types[148]
1263 #define SWIGTYPE_p_OpenBabel__tripleT_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t swig_types[149]
1264 #define SWIGTYPE_p_OpenBabel__vector3 swig_types[150]
1265 #define SWIGTYPE_p_PluginIterator swig_types[151]
1266 #define SWIGTYPE_p_PluginMapType swig_types[152]
1267 #define SWIGTYPE_p_Ref swig_types[153]
1268 #define SWIGTYPE_p_RefIter swig_types[154]
1269 #define SWIGTYPE_p_Refs swig_types[155]
1270 #define SWIGTYPE_p_Unit swig_types[156]
1271 #define SWIGTYPE_p_a_3__double swig_types[157]
1272 #define SWIGTYPE_p_a_4__char swig_types[158]
1273 #define SWIGTYPE_p_allocator_type swig_types[159]
1274 #define SWIGTYPE_p_char swig_types[160]
1275 #define SWIGTYPE_p_const_reference swig_types[161]
1276 #define SWIGTYPE_p_difference_type swig_types[162]
1277 #define SWIGTYPE_p_double swig_types[163]
1278 #define SWIGTYPE_p_first_type swig_types[164]
1279 #define SWIGTYPE_p_int swig_types[165]
1280 #define SWIGTYPE_p_obsharedptrT_OpenBabel__OBMol_t swig_types[166]
1281 #define SWIGTYPE_p_p_OpenBabel__OBChargeModel swig_types[167]
1282 #define SWIGTYPE_p_p_OpenBabel__OBDescriptor swig_types[168]
1283 #define SWIGTYPE_p_p_OpenBabel__OBFingerprint swig_types[169]
1284 #define SWIGTYPE_p_p_OpenBabel__OBForceField swig_types[170]
1285 #define SWIGTYPE_p_p_OpenBabel__OBFormat swig_types[171]
1286 #define SWIGTYPE_p_p_OpenBabel__OBOp swig_types[172]
1287 #define SWIGTYPE_p_p_double swig_types[173]
1288 #define SWIGTYPE_p_p_int swig_types[174]
1289 #define SWIGTYPE_p_reference swig_types[175]
1290 #define SWIGTYPE_p_second_type swig_types[176]
1291 #define SWIGTYPE_p_size_type swig_types[177]
1292 #define SWIGTYPE_p_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t swig_types[178]
1293 #define SWIGTYPE_p_std__binary_functionT_char_const_p_char_const_p_bool_t swig_types[179]
1294 #define SWIGTYPE_p_std__dequeT_int_t swig_types[180]
1295 #define SWIGTYPE_p_std__istream swig_types[181]
1296 #define SWIGTYPE_p_std__listT_OpenBabel__transform3d_p_t__const_iterator swig_types[182]
1297 #define SWIGTYPE_p_std__listT_OpenBabel__vector3_t swig_types[183]
1298 #define SWIGTYPE_p_std__mapT_OpenBabel__OBBond_p_OpenBabel__OBStereo__BondDirection_std__lessT_OpenBabel__OBBond_p_t_std__allocatorT_std__pairT_OpenBabel__OBBond_pconst_OpenBabel__OBStereo__BondDirection_t_t_t swig_types[184]
1299 #define SWIGTYPE_p_std__mapT_OpenBabel__OBBond_p_unsigned_long_std__lessT_OpenBabel__OBBond_p_t_std__allocatorT_std__pairT_OpenBabel__OBBond_pconst_unsigned_long_t_t_t swig_types[185]
1300 #define SWIGTYPE_p_std__mapT_char_const_p_OpenBabel__OBPlugin_p_OpenBabel__CharPtrLess_std__allocatorT_std__pairT_char_const_pconst_OpenBabel__OBPlugin_p_t_t_t swig_types[186]
1301 #define SWIGTYPE_p_std__mapT_int_OpenBabel__OBAtom_p_std__lessT_int_t_std__allocatorT_std__pairT_int_const_OpenBabel__OBAtom_p_t_t_t swig_types[187]
1302 #define SWIGTYPE_p_std__mapT_std__string_std__string_std__lessT_std__string_t_std__allocatorT_std__pairT_std__string_const_std__string_t_t_t swig_types[188]
1303 #define SWIGTYPE_p_std__mapT_std__vectorT_int_std__allocatorT_int_t_t_double_std__lessT_std__vectorT_int_t_t_std__allocatorT_std__pairT_std__vectorT_int_std__allocatorT_int_t_t_const_double_t_t_t swig_types[189]
1304 #define SWIGTYPE_p_std__multimapT_double_unsigned_int_t swig_types[190]
1305 #define SWIGTYPE_p_std__ostream swig_types[191]
1306 #define SWIGTYPE_p_std__ostringstream swig_types[192]
1307 #define SWIGTYPE_p_std__pairT_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t swig_types[193]
1308 #define SWIGTYPE_p_std__pairT_int_int_t swig_types[194]
1309 #define SWIGTYPE_p_std__pairT_std__string_std__string_t swig_types[195]
1310 #define SWIGTYPE_p_std__pairT_unsigned_int_unsigned_int_t swig_types[196]
1311 #define SWIGTYPE_p_std__setT_OpenBabel__OBBond_p_t swig_types[197]
1312 #define SWIGTYPE_p_std__streampos swig_types[198]
1313 #define SWIGTYPE_p_std__string swig_types[199]
1314 #define SWIGTYPE_p_std__stringbuf swig_types[200]
1315 #define SWIGTYPE_p_std__type_info swig_types[201]
1316 #define SWIGTYPE_p_std__vectorT_OpenBabel__OBAtom_p_std__allocatorT_OpenBabel__OBAtom_p_t_t swig_types[202]
1317 #define SWIGTYPE_p_std__vectorT_OpenBabel__OBAtom_p_std__allocatorT_OpenBabel__OBAtom_p_t_t__iterator swig_types[203]
1318 #define SWIGTYPE_p_std__vectorT_OpenBabel__OBBase_p_std__allocatorT_OpenBabel__OBBase_p_t_t swig_types[204]
1319 #define SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t swig_types[205]
1320 #define SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator swig_types[206]
1321 #define SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_std__allocatorT_OpenBabel__OBBond_t_t swig_types[207]
1322 #define SWIGTYPE_p_std__vectorT_OpenBabel__OBCisTransStereo_p_std__allocatorT_OpenBabel__OBCisTransStereo_p_t_t swig_types[208]
1323 #define SWIGTYPE_p_std__vectorT_OpenBabel__OBConformerFilter_p_std__allocatorT_OpenBabel__OBConformerFilter_p_t_t swig_types[209]
1324 #define SWIGTYPE_p_std__vectorT_OpenBabel__OBExternalBond_std__allocatorT_OpenBabel__OBExternalBond_t_t swig_types[210]
1325 #define SWIGTYPE_p_std__vectorT_OpenBabel__OBFreeGridPoint_p_std__allocatorT_OpenBabel__OBFreeGridPoint_p_t_t__iterator swig_types[211]
1326 #define SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t swig_types[212]
1327 #define SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t__iterator swig_types[213]
1328 #define SWIGTYPE_p_std__vectorT_OpenBabel__OBInternalCoord_p_std__allocatorT_OpenBabel__OBInternalCoord_p_t_t swig_types[214]
1329 #define SWIGTYPE_p_std__vectorT_OpenBabel__OBInternalCoord_p_std__allocatorT_OpenBabel__OBInternalCoord_p_t_t__iterator swig_types[215]
1330 #define SWIGTYPE_p_std__vectorT_OpenBabel__OBMol_std__allocatorT_OpenBabel__OBMol_t_t swig_types[216]
1331 #define SWIGTYPE_p_std__vectorT_OpenBabel__OBOrbital_std__allocatorT_OpenBabel__OBOrbital_t_t swig_types[217]
1332 #define SWIGTYPE_p_std__vectorT_OpenBabel__OBQueryAtom_p_std__allocatorT_OpenBabel__OBQueryAtom_p_t_t swig_types[218]
1333 #define SWIGTYPE_p_std__vectorT_OpenBabel__OBQueryBond_p_std__allocatorT_OpenBabel__OBQueryBond_p_t_t swig_types[219]
1334 #define SWIGTYPE_p_std__vectorT_OpenBabel__OBResidue_p_std__allocatorT_OpenBabel__OBResidue_p_t_t__iterator swig_types[220]
1335 #define SWIGTYPE_p_std__vectorT_OpenBabel__OBResidue_std__allocatorT_OpenBabel__OBResidue_t_t swig_types[221]
1336 #define SWIGTYPE_p_std__vectorT_OpenBabel__OBRing_p_std__allocatorT_OpenBabel__OBRing_p_t_t swig_types[222]
1337 #define SWIGTYPE_p_std__vectorT_OpenBabel__OBRing_p_std__allocatorT_OpenBabel__OBRing_p_t_t__iterator swig_types[223]
1338 #define SWIGTYPE_p_std__vectorT_OpenBabel__OBRing_std__allocatorT_OpenBabel__OBRing_t_t swig_types[224]
1339 #define SWIGTYPE_p_std__vectorT_OpenBabel__OBRotor_p_std__allocatorT_OpenBabel__OBRotor_p_t_t__iterator swig_types[225]
1340 #define SWIGTYPE_p_std__vectorT_OpenBabel__OBStereoUnit_std__allocatorT_OpenBabel__OBStereoUnit_t_t swig_types[226]
1341 #define SWIGTYPE_p_std__vectorT_OpenBabel__OBTetrahedralStereo_p_std__allocatorT_OpenBabel__OBTetrahedralStereo_p_t_t swig_types[227]
1342 #define SWIGTYPE_p_std__vectorT_OpenBabel__OBTorsion_std__allocatorT_OpenBabel__OBTorsion_t_t swig_types[228]
1343 #define SWIGTYPE_p_std__vectorT_OpenBabel__tripleT_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_double_t_std__allocatorT_OpenBabel__tripleT_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_double_t_t_t swig_types[229]
1344 #define SWIGTYPE_p_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t swig_types[230]
1345 #define SWIGTYPE_p_std__vectorT_double_p_std__allocatorT_double_p_t_t swig_types[231]
1346 #define SWIGTYPE_p_std__vectorT_double_p_std__allocatorT_double_p_t_t__iterator swig_types[232]
1347 #define SWIGTYPE_p_std__vectorT_double_std__allocatorT_double_t_t swig_types[233]
1348 #define SWIGTYPE_p_std__vectorT_double_std__allocatorT_double_t_t__iterator swig_types[234]
1349 #define SWIGTYPE_p_std__vectorT_int_std__allocatorT_int_t_t swig_types[235]
1350 #define SWIGTYPE_p_std__vectorT_std__pairT_int_int_t_std__allocatorT_std__pairT_int_int_t_t_t swig_types[236]
1351 #define SWIGTYPE_p_std__vectorT_std__pairT_std__string_std__string_t_std__allocatorT_std__pairT_std__string_std__string_t_t_t swig_types[237]
1352 #define SWIGTYPE_p_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t swig_types[238]
1353 #define SWIGTYPE_p_std__vectorT_std__string_std__allocatorT_std__string_t_t swig_types[239]
1354 #define SWIGTYPE_p_std__vectorT_std__vectorT_OpenBabel__OBStereoUnit_std__allocatorT_OpenBabel__OBStereoUnit_t_t_std__allocatorT_std__vectorT_OpenBabel__OBStereoUnit_std__allocatorT_OpenBabel__OBStereoUnit_t_t_t_t swig_types[240]
1355 #define SWIGTYPE_p_std__vectorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_std__allocatorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_t_t swig_types[241]
1356 #define SWIGTYPE_p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t swig_types[242]
1357 #define SWIGTYPE_p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t__iterator swig_types[243]
1358 #define SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t swig_types[244]
1359 #define SWIGTYPE_p_std__vectorT_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t_std__allocatorT_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t_t_t swig_types[245]
1360 #define SWIGTYPE_p_std__vectorT_uint32_t_std__allocatorT_uint32_t_t_t swig_types[246]
1361 #define SWIGTYPE_p_std__vectorT_unsigned_char_p_std__allocatorT_unsigned_char_p_t_t__iterator swig_types[247]
1362 #define SWIGTYPE_p_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t swig_types[248]
1363 #define SWIGTYPE_p_std__vectorT_unsigned_long_std__allocatorT_unsigned_long_t_t swig_types[249]
1364 #define SWIGTYPE_p_std__vectorT_unsigned_short_std__allocatorT_unsigned_short_t_t swig_types[250]
1365 #define SWIGTYPE_p_stringp swig_types[251]
1366 #define SWIGTYPE_p_unsigned_int swig_types[252]
1367 #define SWIGTYPE_p_value_type swig_types[253]
1368 #define SWIGTYPE_p_void swig_types[254]
1369 #define SWIGTYPE_p_word_vector swig_types[255]
1370 static swig_type_info *swig_types[257];
1371 static swig_module_info swig_module = {swig_types, 256, 0, 0, 0, 0};
1372 #define SWIG_TypeQuery(name) SWIG_TypeQueryModule(&swig_module, &swig_module, name)
1373 #define SWIG_MangledTypeQuery(name) SWIG_MangledTypeQueryModule(&swig_module, &swig_module, name)
1374 
1375 /* -------- TYPES TABLE (END) -------- */
1376 
1377 
1378 /* -----------------------------------------------------------------------------
1379  *  This section contains generic SWIG labels for method/variable
1380  *  declarations/attributes, and other compiler dependent labels.
1381  * ----------------------------------------------------------------------------- */
1382 
1383 /* template workaround for compilers that cannot correctly implement the C++ standard */
1384 #ifndef SWIGTEMPLATEDISAMBIGUATOR
1385 # if defined(__SUNPRO_CC) && (__SUNPRO_CC <= 0x560)
1386 #  define SWIGTEMPLATEDISAMBIGUATOR template
1387 # elif defined(__HP_aCC)
1388 /* Needed even with `aCC -AA' when `aCC -V' reports HP ANSI C++ B3910B A.03.55 */
1389 /* If we find a maximum version that requires this, the test would be __HP_aCC <= 35500 for A.03.55 */
1390 #  define SWIGTEMPLATEDISAMBIGUATOR template
1391 # else
1392 #  define SWIGTEMPLATEDISAMBIGUATOR
1393 # endif
1394 #endif
1395 
1396 /* inline attribute */
1397 #ifndef SWIGINLINE
1398 # if defined(__cplusplus) || (defined(__GNUC__) && !defined(__STRICT_ANSI__))
1399 #   define SWIGINLINE inline
1400 # else
1401 #   define SWIGINLINE
1402 # endif
1403 #endif
1404 
1405 /* attribute recognised by some compilers to avoid 'unused' warnings */
1406 #ifndef SWIGUNUSED
1407 # if defined(__GNUC__)
1408 #   if !(defined(__cplusplus)) || (__GNUC__ > 3 || (__GNUC__ == 3 && __GNUC_MINOR__ >= 4))
1409 #     define SWIGUNUSED __attribute__ ((__unused__))
1410 #   else
1411 #     define SWIGUNUSED
1412 #   endif
1413 # elif defined(__ICC)
1414 #   define SWIGUNUSED __attribute__ ((__unused__))
1415 # else
1416 #   define SWIGUNUSED
1417 # endif
1418 #endif
1419 
1420 #ifndef SWIG_MSC_UNSUPPRESS_4505
1421 # if defined(_MSC_VER)
1422 #   pragma warning(disable : 4505) /* unreferenced local function has been removed */
1423 # endif
1424 #endif
1425 
1426 #ifndef SWIGUNUSEDPARM
1427 # ifdef __cplusplus
1428 #   define SWIGUNUSEDPARM(p)
1429 # else
1430 #   define SWIGUNUSEDPARM(p) p SWIGUNUSED
1431 # endif
1432 #endif
1433 
1434 /* internal SWIG method */
1435 #ifndef SWIGINTERN
1436 # define SWIGINTERN static SWIGUNUSED
1437 #endif
1438 
1439 /* internal inline SWIG method */
1440 #ifndef SWIGINTERNINLINE
1441 # define SWIGINTERNINLINE SWIGINTERN SWIGINLINE
1442 #endif
1443 
1444 /* exporting methods */
1445 #if (__GNUC__ >= 4) || (__GNUC__ == 3 && __GNUC_MINOR__ >= 4)
1446 #  ifndef GCC_HASCLASSVISIBILITY
1447 #    define GCC_HASCLASSVISIBILITY
1448 #  endif
1449 #endif
1450 
1451 #ifndef SWIGEXPORT
1452 # if defined(_WIN32) || defined(__WIN32__) || defined(__CYGWIN__)
1453 #   if defined(STATIC_LINKED)
1454 #     define SWIGEXPORT
1455 #   else
1456 #     define SWIGEXPORT __declspec(dllexport)
1457 #   endif
1458 # else
1459 #   if defined(__GNUC__) && defined(GCC_HASCLASSVISIBILITY)
1460 #     define SWIGEXPORT __attribute__ ((visibility("default")))
1461 #   else
1462 #     define SWIGEXPORT
1463 #   endif
1464 # endif
1465 #endif
1466 
1467 /* calling conventions for Windows */
1468 #ifndef SWIGSTDCALL
1469 # if defined(_WIN32) || defined(__WIN32__) || defined(__CYGWIN__)
1470 #   define SWIGSTDCALL __stdcall
1471 # else
1472 #   define SWIGSTDCALL
1473 # endif
1474 #endif
1475 
1476 /* Deal with Microsoft's attempt at deprecating C standard runtime functions */
1477 #if !defined(SWIG_NO_CRT_SECURE_NO_DEPRECATE) && defined(_MSC_VER) && !defined(_CRT_SECURE_NO_DEPRECATE)
1478 # define _CRT_SECURE_NO_DEPRECATE
1479 #endif
1480 
1481 /* Deal with Microsoft's attempt at deprecating methods in the standard C++ library */
1482 #if !defined(SWIG_NO_SCL_SECURE_NO_DEPRECATE) && defined(_MSC_VER) && !defined(_SCL_SECURE_NO_DEPRECATE)
1483 # define _SCL_SECURE_NO_DEPRECATE
1484 #endif
1485 
1486 
1487 /*  Errors in SWIG */
1488 #define  SWIG_UnknownError    	   -1
1489 #define  SWIG_IOError        	   -2
1490 #define  SWIG_RuntimeError   	   -3
1491 #define  SWIG_IndexError     	   -4
1492 #define  SWIG_TypeError      	   -5
1493 #define  SWIG_DivisionByZero 	   -6
1494 #define  SWIG_OverflowError  	   -7
1495 #define  SWIG_SyntaxError    	   -8
1496 #define  SWIG_ValueError     	   -9
1497 #define  SWIG_SystemError    	   -10
1498 #define  SWIG_AttributeError 	   -11
1499 #define  SWIG_MemoryError    	   -12
1500 #define  SWIG_NullReferenceError   -13
1501 
1502 
1503 
1504 
1505 #define SWIGVERSION 0x020011
1506 #define SWIG_VERSION SWIGVERSION
1507 
1508 
1509 #define SWIG_as_voidptr(a) const_cast< void * >(static_cast< const void * >(a))
1510 #define SWIG_as_voidptrptr(a) ((void)SWIG_as_voidptr(*a),reinterpret_cast< void** >(a))
1511 
1512 
1513 #include <stdexcept>
1514 
1515 
1516 #include <R.h>
1517 // used to set import/export for Cygwin DLLs
1518 #ifdef WIN32
1519 #define USING_OBDLL
1520 #endif
1521 
1522 
1523 #include <openbabel/obutil.h>
1524 #include <openbabel/rand.h>
1525 #include <openbabel/math/vector3.h>
1526 #include <openbabel/math/matrix3x3.h>
1527 #include <openbabel/math/transform3d.h>
1528 #include <openbabel/math/spacegroup.h>
1529 
1530 #include <openbabel/generic.h>
1531 #include <openbabel/griddata.h>
1532 
1533 #include <openbabel/base.h>
1534 #include <openbabel/mol.h>
1535 #include <openbabel/atom.h>
1536 #include <openbabel/bond.h>
1537 #include <openbabel/reaction.h>
1538 #include <openbabel/residue.h>
1539 #include <openbabel/internalcoord.h>
1540 
1541 #include <openbabel/ring.h>
1542 #include <openbabel/obconversion.h>
1543 #include <openbabel/oberror.h>
1544 #include <openbabel/plugin.h>
1545 #include <openbabel/fingerprint.h>
1546 #include <openbabel/descriptor.h>
1547 #include <openbabel/format.h>
1548 
1549 #include <openbabel/builder.h>
1550 #include <openbabel/op.h>
1551 
1552 #include <openbabel/bitvec.h>
1553 #include <openbabel/data.h>
1554 #include <openbabel/parsmart.h>
1555 #include <openbabel/alias.h>
1556 #include <openbabel/atomclass.h>
1557 
1558 #include <openbabel/kinetics.h>
1559 #include <openbabel/rotor.h>
1560 #include <openbabel/rotamer.h>
1561 #include <openbabel/spectrophore.h>
1562 
1563 #include <openbabel/chargemodel.h>
1564 #include <openbabel/graphsym.h>
1565 #include <openbabel/isomorphism.h>
1566 #include <openbabel/query.h>
1567 #include <openbabel/canon.h>
1568 
1569 #include <openbabel/stereo/tetrahedral.h>
1570 #include <openbabel/stereo/cistrans.h>
1571 #include <openbabel/stereo/squareplanar.h>
1572 #include <openbabel/stereo/bindings.h>
1573 
1574 
1575 #include <openbabel/forcefield.h>
1576 #include <openbabel/conformersearch.h>
1577 #include <openbabel/math/align.h>
1578 
1579 
1580 #include <stdexcept>
1581 
1582 
1583 #if defined(__GNUC__)
1584 #  if __GNUC__ == 2 && __GNUC_MINOR <= 96
1585 #     define SWIG_STD_NOMODERN_STL
1586 #  endif
1587 #endif
1588 
1589 
1590 #include <string>
1591 #include <stdexcept>
1592 #include <stddef.h>
1593 
1594 
1595 #include <utility>
1596 
1597 
1598 #include <algorithm>
1599 
1600 
1601 #include <map>
1602 #include <algorithm>
1603 #include <stdexcept>
1604 
1605 
1606 #include <vector>
1607 
1608 
1609 #include <string>
1610 
1611 
1612 typedef std::string stringp;
1613 
new_stringp()1614 SWIGINTERN stringp *new_stringp(){
1615   return new std::string();
1616 }
delete_stringp(stringp * self)1617 SWIGINTERN void delete_stringp(stringp *self){
1618   if (self) delete self;
1619 }
1620 
1621 SWIGINTERN int
SWIG_AsCharPtrAndSize(SEXP obj,char ** cptr,size_t * psize,int * alloc)1622 SWIG_AsCharPtrAndSize(SEXP obj, char** cptr, size_t* psize, int *alloc)
1623 {
1624   if (cptr && Rf_isString(obj)) {
1625     char *cstr = const_cast< char * >(CHAR(STRING_ELT(obj, 0)));
1626     int len = strlen(cstr);
1627 
1628     if (alloc) {
1629       if (*alloc == SWIG_NEWOBJ) {
1630         *cptr = reinterpret_cast< char* >(memcpy((new char[len + 1]), cstr, sizeof(char)*(len + 1)));
1631         *alloc = SWIG_NEWOBJ;
1632       } else {
1633         *cptr = cstr;
1634       }
1635     } else {
1636       *cptr = reinterpret_cast< char * >(malloc(len + 1));
1637       *cptr = strcpy(*cptr, cstr);
1638     }
1639     if (psize) *psize = len + 1;
1640     return SWIG_OK;
1641   }
1642   return SWIG_TypeError;
1643 }
1644 
1645 
1646 SWIGINTERN int
SWIG_AsPtr_std_string(SEXP obj,std::string ** val)1647 SWIG_AsPtr_std_string (SEXP obj, std::string **val)
1648 {
1649   char* buf = 0 ; size_t size = 0; int alloc = SWIG_OLDOBJ;
1650   if (SWIG_IsOK((SWIG_AsCharPtrAndSize(obj, &buf, &size, &alloc)))) {
1651     if (buf) {
1652       if (val) *val = new std::string(buf, size - 1);
1653       if (alloc == SWIG_NEWOBJ) delete[] buf;
1654       return SWIG_NEWOBJ;
1655     } else {
1656       if (val) *val = 0;
1657       return SWIG_OLDOBJ;
1658     }
1659   } else {
1660     static int init = 0;
1661     static swig_type_info* descriptor = 0;
1662     if (!init) {
1663       descriptor = SWIG_TypeQuery("std::string" " *");
1664       init = 1;
1665     }
1666     if (descriptor) {
1667       std::string *vptr;
1668       int res = SWIG_R_ConvertPtr(obj, (void**)&vptr, descriptor, 0);
1669       if (SWIG_IsOK(res) && val) *val = vptr;
1670       return res;
1671     }
1672   }
1673   return SWIG_ERROR;
1674 }
1675 
stringp_assign(stringp * self,std::string value)1676 SWIGINTERN void stringp_assign(stringp *self,std::string value){
1677   *self = value;
1678 }
stringp_value(stringp * self)1679 SWIGINTERN std::string stringp_value(stringp *self){
1680   return *self;
1681 }
1682 
1683 SWIGINTERN SEXP
SWIG_FromCharPtrAndSize(const char * carray,size_t size)1684 SWIG_FromCharPtrAndSize(const char* carray, size_t size)
1685 {
1686   SEXP t, c;
1687   if (!carray) return R_NilValue;
1688 /* See R internals document 1.10.
1689    MkCharLen was introduced in 2.7.0.  Use that instead of hand
1690    creating vector.
1691 
1692    Starting in 2.8.0 creating strings via vectors was deprecated in
1693    order to allow for use of CHARSXP caches. */
1694 
1695   Rf_protect(t = Rf_allocVector(STRSXP, 1));
1696 #if R_VERSION >=  R_Version(2,7,0)
1697   c = Rf_mkCharLen(carray, size);
1698 #else
1699   c = Rf_allocVector(CHARSXP, size);
1700   strncpy((char *)CHAR(c), carray, size);
1701 #endif
1702   SET_STRING_ELT(t, 0, c);
1703   Rf_unprotect(1);
1704   return t;
1705 }
1706 
1707 
1708 SWIGINTERNINLINE SEXP
SWIG_From_std_string(const std::string & s)1709 SWIG_From_std_string  (const std::string& s)
1710 {
1711   return SWIG_FromCharPtrAndSize(s.data(), s.size());
1712 }
1713 
stringp_cast(stringp * self)1714 SWIGINTERN std::string *stringp_cast(stringp *self){
1715   return self;
1716 }
stringp_frompointer(std::string * t)1717 SWIGINTERN stringp *stringp_frompointer(std::string *t){
1718   return (stringp *) t;
1719 }
1720 
1721 
1722     #include <iostream>
istreamFromString(std::string str)1723     std::istream* istreamFromString(std::string str){
1724        return new std::istringstream(str);
1725     }
istreamFromFile(const char * filename)1726     std::istream* istreamFromFile(const char *filename) {
1727        return new std::ifstream(filename);
1728     }
ostreamToString()1729     std::ostream* ostreamToString(){
1730        return new std::ostringstream();
1731     }
ostreamToFile(const char * filename)1732     std::ostream* ostreamToFile(const char *filename) {
1733        return new std::ofstream(filename);
1734     }
stringFromOstream(const std::ostringstream * os)1735     const std::string stringFromOstream(const std::ostringstream* os){
1736      // return (os->str()).c_str();
1737       return os->str();
1738     }
1739 
1740 
1741 
1742 
1743 
1744 
1745 namespace swig {
1746   template <class Type>
1747   struct noconst_traits {
1748     typedef Type noconst_type;
1749   };
1750 
1751   template <class Type>
1752   struct noconst_traits<const Type> {
1753     typedef Type noconst_type;
1754   };
1755 
1756   /*
1757     type categories
1758   */
1759   struct pointer_category { };
1760   struct value_category { };
1761 
1762   /*
1763     General traits that provides type_name and type_info
1764   */
1765   template <class Type> struct traits { };
1766 
1767   template <class Type>
type_name()1768   inline const char* type_name() {
1769     return traits<typename noconst_traits<Type >::noconst_type >::type_name();
1770   }
1771 
1772   template <class Type>
1773   struct traits_info {
type_queryswig::traits_info1774     static swig_type_info *type_query(std::string name) {
1775       name += " *";
1776       return SWIG_TypeQuery(name.c_str());
1777     }
type_infoswig::traits_info1778     static swig_type_info *type_info() {
1779       static swig_type_info *info = type_query(type_name<Type>());
1780       return info;
1781     }
1782   };
1783 
1784   template <class Type>
type_info()1785   inline swig_type_info *type_info() {
1786     return traits_info<Type>::type_info();
1787   }
1788 
1789   /*
1790     Partial specialization for pointers
1791   */
1792   template <class Type> struct traits <Type *> {
1793     typedef pointer_category category;
make_ptr_nameswig::traits1794     static std::string make_ptr_name(const char* name) {
1795       std::string ptrname = name;
1796       ptrname += " *";
1797       return ptrname;
1798     }
type_nameswig::traits1799     static const char* type_name() {
1800       static std::string name = make_ptr_name(swig::type_name<Type>());
1801       return name.c_str();
1802     }
1803   };
1804 
1805   template <class Type, class Category>
1806   struct traits_as { };
1807 
1808   template <class Type, class Category>
1809   struct traits_check { };
1810 
1811 }
1812 
1813 
1814 namespace swig {
1815   /*
1816     Traits that provides the from method
1817   */
1818 
1819   template <class Type> struct traits_from_ptr {
fromswig::traits_from_ptr1820     static SEXP from(Type *val, int owner = 0) {
1821       return SWIG_R_NewPointerObj(val, type_info<Type>(), owner);
1822     }
1823   };
1824 
1825   template <class Type> struct traits_from {
fromswig::traits_from1826     static SEXP from(const Type& val) {
1827       return traits_from_ptr<Type>::from(new Type(val), 1);
1828     }
1829   };
1830 
1831   template <class Type> struct traits_from<Type *> {
fromswig::traits_from1832     static SEXP from(Type* val) {
1833       return traits_from_ptr<Type>::from(val, 0);
1834     }
1835   };
1836 
1837   template <class Type>
from(const Type & val)1838   inline SEXP from(const Type& val) {
1839     return traits_from<Type>::from(val);
1840   }
1841 
1842   template <class Type>
from_ptr(Type * val,int owner)1843   inline SEXP from_ptr(Type* val, int owner) {
1844     return traits_from_ptr<Type>::from(val, owner);
1845   }
1846 
1847   /*
1848     Traits that provides the asval/as/check method
1849   */
1850   template <class Type>
1851   struct traits_asptr {
asptrswig::traits_asptr1852     static int asptr(SEXP obj, Type **val) {
1853       Type *p;
1854       int res = SWIG_R_ConvertPtr(obj, (void**)&p, type_info<Type>(), 0);
1855       if (SWIG_IsOK(res)) {
1856 	if (val) *val = p;
1857       }
1858       return res;
1859     }
1860   };
1861 
1862   template <class Type>
asptr(SEXP obj,Type ** vptr)1863   inline int asptr(SEXP obj, Type **vptr) {
1864     return traits_asptr<Type>::asptr(obj, vptr);
1865   }
1866 
1867   template <class Type>
1868   struct traits_asval {
asvalswig::traits_asval1869     static int asval(SEXP obj, Type *val) {
1870       if (val) {
1871 	Type *p = 0;
1872 	int res = traits_asptr<Type>::asptr(obj, &p);
1873 	if (!SWIG_IsOK(res)) return res;
1874 	if (p) {
1875 	  typedef typename noconst_traits<Type>::noconst_type noconst_type;
1876 	  *(const_cast<noconst_type*>(val)) = *p;
1877 	  if (SWIG_IsNewObj(res)){
1878 	    delete p;
1879 	    res = SWIG_DelNewMask(res);
1880 	  }
1881 	  return res;
1882 	} else {
1883 	  return SWIG_ERROR;
1884 	}
1885       } else {
1886 	return traits_asptr<Type>::asptr(obj, (Type **)(0));
1887       }
1888     }
1889   };
1890 
1891   template <class Type> struct traits_asval<Type*> {
asvalswig::traits_asval1892     static int asval(SEXP obj, Type **val) {
1893       if (val) {
1894         typedef typename noconst_traits<Type>::noconst_type noconst_type;
1895         noconst_type *p = 0;
1896         int res = traits_asptr<noconst_type>::asptr(obj,  &p);
1897         if (SWIG_IsOK(res)) {
1898           *(const_cast<noconst_type**>(val)) = p;
1899 	}
1900 	return res;
1901       } else {
1902 	return traits_asptr<Type>::asptr(obj, (Type **)(0));
1903       }
1904     }
1905   };
1906 
1907   template <class Type>
asval(SEXP obj,Type * val)1908   inline int asval(SEXP obj, Type *val) {
1909     return traits_asval<Type>::asval(obj, val);
1910   }
1911 
1912   template <class Type>
1913   struct traits_as<Type, value_category> {
asswig::traits_as1914     static Type as(SEXP obj, bool throw_error) {
1915       Type v;
1916       int res = asval(obj, &v);
1917       if (!obj || !SWIG_IsOK(res)) {
1918 	if (throw_error)
1919           throw std::invalid_argument("bad type");
1920       }
1921       return v;
1922     }
1923   };
1924 
1925   template <class Type>
1926   struct traits_as<Type, pointer_category> {
asswig::traits_as1927     static Type as(SEXP obj, bool throw_error) {
1928       Type *v = 0;
1929       int res = (obj ? traits_asptr<Type>::asptr(obj, &v) : SWIG_ERROR);
1930       if (SWIG_IsOK(res) && v) {
1931 	if (SWIG_IsNewObj(res)) {
1932 	  Type r(*v);
1933 	  delete v;
1934 	  return r;
1935 	} else {
1936 	  return *v;
1937 	}
1938       } else {
1939 	// Uninitialized return value, no Type() constructor required.
1940 	static Type *v_def = (Type*) malloc(sizeof(Type));
1941 	if (throw_error)
1942           throw std::invalid_argument("bad type");
1943 	memset(v_def,0,sizeof(Type));
1944 	return *v_def;
1945       }
1946     }
1947   };
1948 
1949   template <class Type>
1950   struct traits_as<Type*, pointer_category> {
asswig::traits_as1951     static Type* as(SEXP obj, bool throw_error) {
1952       Type *v = 0;
1953       int res = (obj ? traits_asptr<Type>::asptr(obj, &v) : SWIG_ERROR);
1954       if (SWIG_IsOK(res)) {
1955 	return v;
1956       } else {
1957 	if (throw_error)
1958           throw std::invalid_argument("bad type");
1959 	return 0;
1960       }
1961     }
1962   };
1963 
1964   template <class Type>
as(SEXP obj,bool te=false)1965   inline Type as(SEXP obj, bool te = false) {
1966     return traits_as<Type, typename traits<Type>::category>::as(obj, te);
1967   }
1968 
1969   template <class Type>
1970   struct traits_check<Type, value_category> {
checkswig::traits_check1971     static bool check(SEXP obj) {
1972       int res = obj ? asval(obj, (Type *)(0)) : SWIG_ERROR;
1973       return SWIG_IsOK(res) ? true : false;
1974     }
1975   };
1976 
1977   template <class Type>
1978   struct traits_check<Type, pointer_category> {
checkswig::traits_check1979     static bool check(SEXP obj) {
1980       int res = obj ? asptr(obj, (Type **)(0)) : SWIG_ERROR;
1981       return SWIG_IsOK(res) ? true : false;
1982     }
1983   };
1984 
1985   template <class Type>
check(SEXP obj)1986   inline bool check(SEXP obj) {
1987     return traits_check<Type, typename traits<Type>::category>::check(obj);
1988   }
1989 }
1990 
1991 
1992   #include <stddef.h>
1993 
1994 
1995 #include <functional>
1996 namespace swig {
1997   inline size_t
check_index(ptrdiff_t i,size_t size,bool insert=false)1998   check_index(ptrdiff_t i, size_t size, bool insert = false) {
1999     if ( i < 0 ) {
2000       if ((size_t) (-i) <= size)
2001 	return (size_t) (i + size);
2002     } else if ( (size_t) i < size ) {
2003       return (size_t) i;
2004     } else if (insert && ((size_t) i == size)) {
2005       return size;
2006     }
2007 
2008     throw std::out_of_range("index out of range");
2009   }
2010 
2011   inline size_t
slice_index(ptrdiff_t i,size_t size)2012   slice_index(ptrdiff_t i, size_t size) {
2013     if ( i < 0 ) {
2014       if ((size_t) (-i) <= size) {
2015 	return (size_t) (i + size);
2016       } else {
2017 	throw std::out_of_range("index out of range");
2018       }
2019     } else {
2020       return ( (size_t) i < size ) ? ((size_t) i) : size;
2021     }
2022   }
2023 
2024   template <class Sequence, class Difference>
2025   inline typename Sequence::iterator
getpos(Sequence * self,Difference i)2026   getpos(Sequence* self, Difference i)  {
2027     typename Sequence::iterator pos = self->begin();
2028     std::advance(pos, check_index(i,self->size()));
2029     return pos;
2030   }
2031 
2032   template <class Sequence, class Difference>
2033   inline typename Sequence::const_iterator
cgetpos(const Sequence * self,Difference i)2034   cgetpos(const Sequence* self, Difference i)  {
2035     typename Sequence::const_iterator pos = self->begin();
2036     std::advance(pos, check_index(i,self->size()));
2037     return pos;
2038   }
2039 
2040   template <class Sequence, class Difference>
2041   inline Sequence*
getslice(const Sequence * self,Difference i,Difference j)2042   getslice(const Sequence* self, Difference i, Difference j) {
2043     typename Sequence::size_type size = self->size();
2044     typename Sequence::size_type ii = swig::check_index(i, size);
2045     typename Sequence::size_type jj = swig::slice_index(j, size);
2046 
2047     if (jj > ii) {
2048       typename Sequence::const_iterator vb = self->begin();
2049       typename Sequence::const_iterator ve = self->begin();
2050       std::advance(vb,ii);
2051       std::advance(ve,jj);
2052       return new Sequence(vb, ve);
2053     } else {
2054       return new Sequence();
2055     }
2056   }
2057 
2058   template <class Sequence, class Difference, class InputSeq>
2059   inline void
setslice(Sequence * self,Difference i,Difference j,const InputSeq & v)2060   setslice(Sequence* self, Difference i, Difference j, const InputSeq& v) {
2061     typename Sequence::size_type size = self->size();
2062     typename Sequence::size_type ii = swig::check_index(i, size, true);
2063     typename Sequence::size_type jj = swig::slice_index(j, size);
2064     if (jj < ii) jj = ii;
2065     size_t ssize = jj - ii;
2066     if (ssize <= v.size()) {
2067       typename Sequence::iterator sb = self->begin();
2068       typename InputSeq::const_iterator vmid = v.begin();
2069       std::advance(sb,ii);
2070       std::advance(vmid, jj - ii);
2071       self->insert(std::copy(v.begin(), vmid, sb), vmid, v.end());
2072     } else {
2073       typename Sequence::iterator sb = self->begin();
2074       typename Sequence::iterator se = self->begin();
2075       std::advance(sb,ii);
2076       std::advance(se,jj);
2077       self->erase(sb,se);
2078       self->insert(sb, v.begin(), v.end());
2079     }
2080   }
2081 
2082   template <class Sequence, class Difference>
2083   inline void
delslice(Sequence * self,Difference i,Difference j)2084   delslice(Sequence* self, Difference i, Difference j) {
2085     typename Sequence::size_type size = self->size();
2086     typename Sequence::size_type ii = swig::check_index(i, size, true);
2087     typename Sequence::size_type jj = swig::slice_index(j, size);
2088     if (jj > ii) {
2089       typename Sequence::iterator sb = self->begin();
2090       typename Sequence::iterator se = self->begin();
2091       std::advance(sb,ii);
2092       std::advance(se,jj);
2093       self->erase(sb,se);
2094     }
2095   }
2096 }
2097 
2098 
2099   namespace swig {
2100     // vectors of doubles
2101     template <>
2102       struct traits_from_ptr<std::vector<double> > {
fromswig::traits_from_ptr2103       static SEXP from (std::vector<double > *val, int owner = 0) {
2104         SEXP result;
2105         PROTECT(result = Rf_allocVector(REALSXP, val->size()));
2106         for (unsigned pos = 0; pos < val->size(); pos++)
2107           {
2108             NUMERIC_POINTER(result)[pos] = ((*val)[pos]);
2109           }
2110         UNPROTECT(1);
2111         return(result);
2112       }
2113     };
2114     // vectors of floats
2115     template <>
2116       struct traits_from_ptr<std::vector<float> > {
fromswig::traits_from_ptr2117       static SEXP from (std::vector<float > *val, int owner = 0) {
2118         SEXP result;
2119         PROTECT(result = Rf_allocVector(REALSXP, val->size()));
2120         for (unsigned pos = 0; pos < val->size(); pos++)
2121           {
2122             NUMERIC_POINTER(result)[pos] = ((*val)[pos]);
2123           }
2124         UNPROTECT(1);
2125         return(result);
2126       }
2127     };
2128     // vectors of unsigned int
2129     template <>
2130       struct traits_from_ptr<std::vector<unsigned int> > {
fromswig::traits_from_ptr2131       static SEXP from (std::vector<unsigned int > *val, int owner = 0) {
2132         SEXP result;
2133         PROTECT(result = Rf_allocVector(INTSXP, val->size()));
2134         for (unsigned pos = 0; pos < val->size(); pos++)
2135           {
2136             INTEGER_POINTER(result)[pos] = ((*val)[pos]);
2137           }
2138         UNPROTECT(1);
2139         return(result);
2140       }
2141     };
2142     // vectors of int
2143     template <>
2144       struct traits_from_ptr<std::vector<int> > {
fromswig::traits_from_ptr2145       static SEXP from (std::vector<int > *val, int owner = 0) {
2146         SEXP result;
2147         PROTECT(result = Rf_allocVector(INTSXP, val->size()));
2148         for (unsigned pos = 0; pos < val->size(); pos++)
2149           {
2150             INTEGER_POINTER(result)[pos] = ((*val)[pos]);
2151           }
2152         UNPROTECT(1);
2153         return(result);
2154       }
2155     };
2156 
2157     // vectors of bool
2158     template <>
2159       struct traits_from_ptr<std::vector<bool> > {
fromswig::traits_from_ptr2160       static SEXP from (std::vector<bool> *val, int owner = 0) {
2161         SEXP result;
2162         PROTECT(result = Rf_allocVector(LGLSXP, val->size()));
2163         for (unsigned pos = 0; pos < val->size(); pos++)
2164           {
2165             LOGICAL_POINTER(result)[pos] = ((*val)[pos]);
2166           }
2167         UNPROTECT(1);
2168         return(result);
2169         //return SWIG_R_NewPointerObj(val, type_info< std::vector<T > >(), owner);
2170       }
2171     };
2172     // vectors of strings
2173     template <>
2174       struct traits_from_ptr<std::vector<std::basic_string<char> > > {
fromswig::traits_from_ptr2175       static SEXP from (std::vector<std::basic_string<char> > *val, int owner = 0) {
2176         SEXP result;
2177          PROTECT(result = Rf_allocVector(STRSXP, val->size()));
2178          for (unsigned pos = 0; pos < val->size(); pos++)
2179            {
2180              CHARACTER_POINTER(result)[pos] = Rf_mkChar(((*val)[pos]).c_str());
2181            }
2182         UNPROTECT(1);
2183         return(result);
2184         //return SWIG_R_NewPointerObj(val, type_info< std::vector<T > >(), owner);
2185       }
2186     };
2187 
2188     // catch all that does everything with vectors
2189     template <typename T>
2190       struct traits_from_ptr< std::vector< T > > {
fromswig::traits_from_ptr2191       static SEXP from (std::vector< T > *val, int owner = 0) {
2192         return SWIG_R_NewPointerObj(val, type_info< std::vector< T >  >(), owner);
2193       }
2194     };
2195 
2196     template <>
2197   struct traits_asptr < std::vector<double> > {
asptrswig::traits_asptr2198     static int asptr(SEXP obj, std::vector<double> **val) {
2199       std::vector<double> *p;
2200       // not sure how to check the size of the SEXP obj is correct
2201       unsigned int sexpsz = Rf_length(obj);
2202       p = new std::vector<double>(sexpsz);
2203       double *S = NUMERIC_POINTER(obj);
2204       for (unsigned pos = 0; pos < p->size(); pos++)
2205         {
2206           (*p)[pos] = static_cast<double>(S[pos]);
2207         }
2208       int res = SWIG_OK;
2209       if (SWIG_IsOK(res)) {
2210         if (val) *val = p;
2211       }
2212       return res;
2213     }
2214   };
2215 
2216     template <>
2217   struct traits_asptr < std::vector<float> > {
asptrswig::traits_asptr2218     static int asptr(SEXP obj, std::vector<float> **val) {
2219       std::vector<float> *p;
2220       // not sure how to check the size of the SEXP obj is correct
2221       unsigned int sexpsz = Rf_length(obj);
2222       p = new std::vector<float>(sexpsz);
2223       double *S = NUMERIC_POINTER(obj);
2224       for (unsigned pos = 0; pos < p->size(); pos++)
2225         {
2226           (*p)[pos] = static_cast<double>(S[pos]);
2227         }
2228       int res = SWIG_OK;
2229       if (SWIG_IsOK(res)) {
2230         if (val) *val = p;
2231       }
2232       return res;
2233     }
2234   };
2235 
2236     template <>
2237   struct traits_asptr < std::vector<unsigned int> > {
asptrswig::traits_asptr2238     static int asptr(SEXP obj, std::vector<unsigned int> **val) {
2239       std::vector<unsigned int> *p;
2240       unsigned int sexpsz = Rf_length(obj);
2241       p = new std::vector<unsigned int>(sexpsz);
2242       SEXP coerced;
2243       PROTECT(coerced = Rf_coerceVector(obj, INTSXP));
2244       int *S = INTEGER_POINTER(coerced);
2245       for (unsigned pos = 0; pos < p->size(); pos++)
2246         {
2247           (*p)[pos] = static_cast<unsigned int>(S[pos]);
2248         }
2249       int res = SWIG_OK;
2250       if (SWIG_IsOK(res)) {
2251         if (val) *val = p;
2252       }
2253       UNPROTECT(1);
2254       return res;
2255     }
2256   };
2257 
2258     template <>
2259   struct traits_asptr < std::vector<int> > {
asptrswig::traits_asptr2260     static int asptr(SEXP obj, std::vector<int> **val) {
2261       std::vector<int> *p;
2262       // not sure how to check the size of the SEXP obj is correct
2263       int sexpsz = Rf_length(obj);
2264       p = new std::vector<int>(sexpsz);
2265       SEXP coerced;
2266       PROTECT(coerced = Rf_coerceVector(obj, INTSXP));
2267       int *S = INTEGER_POINTER(coerced);
2268       for (unsigned pos = 0; pos < p->size(); pos++)
2269         {
2270           (*p)[pos] = static_cast<int>(S[pos]);
2271         }
2272       int res = SWIG_OK;
2273       if (SWIG_IsOK(res)) {
2274         if (val) *val = p;
2275       }
2276       UNPROTECT(1);
2277       return res;
2278     }
2279   };
2280 
2281     template <>
2282   struct traits_asptr < std::vector<bool> > {
asptrswig::traits_asptr2283     static int asptr(SEXP obj, std::vector<bool> **val) {
2284       std::vector<bool> *p;
2285       // not sure how to check the size of the SEXP obj is correct
2286       int sexpsz = Rf_length(obj);
2287       p = new std::vector<bool>(sexpsz);
2288       SEXP coerced;
2289       PROTECT(coerced = Rf_coerceVector(obj, LGLSXP));
2290       int *S = LOGICAL_POINTER(coerced);
2291       for (unsigned pos = 0; pos < p->size(); pos++)
2292         {
2293           (*p)[pos] = static_cast<bool>(S[pos]);
2294         }
2295       int res = SWIG_OK;
2296       if (SWIG_IsOK(res)) {
2297         if (val) *val = p;
2298       }
2299       UNPROTECT(1);
2300       return res;
2301     }
2302   };
2303 
2304     // catchall for R to vector conversion
2305   template <typename T>
2306   struct traits_asptr < std::vector<T> > {
asptrswig::traits_asptr2307     static int asptr(SEXP obj, std::vector<T> **val) {
2308       std::vector<T> *p;
2309       Rprintf("my asptr\n");
2310      int res = SWIG_R_ConvertPtr(obj, (void**)&p, type_info< std::vector<T> >(), 0);
2311       if (SWIG_IsOK(res)) {
2312         if (val) *val = p;
2313       }
2314       return res;
2315     }
2316   };
2317 
2318   // now for vectors of vectors. These will be represented as lists of vectors on the
2319   // catch all that does everything with vectors
2320   template <>
2321     struct traits_from_ptr<std::vector<std::vector<unsigned int> > > {
fromswig::traits_from_ptr2322       static SEXP from (std::vector< std::vector<unsigned int > > *val, int owner = 0) {
2323         SEXP result;
2324         // allocate the R list
2325         PROTECT(result = Rf_allocVector(VECSXP, val->size()));
2326         for (unsigned pos = 0; pos < val->size(); pos++)
2327           {
2328             // allocate the R vector
2329             SET_VECTOR_ELT(result, pos, Rf_allocVector(INTSXP, val->at(pos).size()));
2330             // Fill the R vector
2331             for (unsigned vpos = 0; vpos < val->at(pos).size(); ++vpos)
2332               {
2333                 INTEGER_POINTER(VECTOR_ELT(result, pos))[vpos] = static_cast<int>(val->at(pos).at(vpos));
2334               }
2335           }
2336         UNPROTECT(1);
2337         return(result);
2338       }
2339     };
2340 
2341   template <>
2342     struct traits_from_ptr<std::vector<std::vector<int> > > {
fromswig::traits_from_ptr2343       static SEXP from (std::vector< std::vector<int > > *val, int owner = 0) {
2344         SEXP result;
2345         // allocate the R list
2346         PROTECT(result = Rf_allocVector(VECSXP, val->size()));
2347         for (unsigned pos = 0; pos < val->size(); pos++)
2348           {
2349             // allocate the R vector
2350             SET_VECTOR_ELT(result, pos, Rf_allocVector(INTSXP, val->at(pos).size()));
2351             // Fill the R vector
2352             for (unsigned vpos = 0; vpos < val->at(pos).size(); ++vpos)
2353               {
2354                 INTEGER_POINTER(VECTOR_ELT(result, pos))[vpos] = static_cast<int>(val->at(pos).at(vpos));
2355               }
2356           }
2357         UNPROTECT(1);
2358         return(result);
2359       }
2360     };
2361 
2362   template <>
2363     struct traits_from_ptr<std::vector<std::vector<float> > > {
fromswig::traits_from_ptr2364       static SEXP from (std::vector< std::vector<float > > *val, int owner = 0) {
2365         SEXP result;
2366         // allocate the R list
2367         PROTECT(result = Rf_allocVector(VECSXP, val->size()));
2368         for (unsigned pos = 0; pos < val->size(); pos++)
2369           {
2370             // allocate the R vector
2371             SET_VECTOR_ELT(result, pos, Rf_allocVector(REALSXP, val->at(pos).size()));
2372             // Fill the R vector
2373             for (unsigned vpos = 0; vpos < val->at(pos).size(); ++vpos)
2374               {
2375                 NUMERIC_POINTER(VECTOR_ELT(result, pos))[vpos] = static_cast<double>(val->at(pos).at(vpos));
2376               }
2377           }
2378         UNPROTECT(1);
2379         return(result);
2380       }
2381     };
2382 
2383   template <>
2384     struct traits_from_ptr<std::vector<std::vector<double> > > {
fromswig::traits_from_ptr2385       static SEXP from (std::vector< std::vector<double > > *val, int owner = 0) {
2386         SEXP result;
2387         // allocate the R list
2388         PROTECT(result = Rf_allocVector(VECSXP, val->size()));
2389         for (unsigned pos = 0; pos < val->size(); pos++)
2390           {
2391             // allocate the R vector
2392             SET_VECTOR_ELT(result, pos, Rf_allocVector(REALSXP, val->at(pos).size()));
2393             // Fill the R vector
2394             for (unsigned vpos = 0; vpos < val->at(pos).size(); ++vpos)
2395               {
2396                 NUMERIC_POINTER(VECTOR_ELT(result, pos))[vpos] = static_cast<double>(val->at(pos).at(vpos));
2397               }
2398           }
2399         UNPROTECT(1);
2400         return(result);
2401       }
2402     };
2403 
2404   template <>
2405     struct traits_from_ptr<std::vector<std::vector<bool> > > {
fromswig::traits_from_ptr2406       static SEXP from (std::vector< std::vector<bool> > *val, int owner = 0) {
2407         SEXP result;
2408         // allocate the R list
2409         PROTECT(result = Rf_allocVector(VECSXP, val->size()));
2410         for (unsigned pos = 0; pos < val->size(); pos++)
2411           {
2412             // allocate the R vector
2413             SET_VECTOR_ELT(result, pos, Rf_allocVector(LGLSXP, val->at(pos).size()));
2414             // Fill the R vector
2415             for (unsigned vpos = 0; vpos < val->at(pos).size(); ++vpos)
2416               {
2417                 LOGICAL_POINTER(VECTOR_ELT(result, pos))[vpos] = (val->at(pos).at(vpos));
2418               }
2419           }
2420         UNPROTECT(1);
2421         return(result);
2422       }
2423     };
2424 
2425   template <typename T>
2426     struct traits_from_ptr< std::vector < std::vector< T > > > {
fromswig::traits_from_ptr2427     static SEXP from (std::vector < std::vector< T > > *val, int owner = 0) {
2428       return SWIG_R_NewPointerObj(val, type_info< std::vector < std::vector< T > > >(), owner);
2429     }
2430   };
2431 
2432   // R side
2433   template <>
2434     struct traits_asptr < std::vector< std::vector<unsigned int> > > {
asptrswig::traits_asptr2435     static int asptr(SEXP obj, std::vector< std::vector<unsigned int> > **val) {
2436       std::vector <std::vector<unsigned int> > *p;
2437       // this is the length of the list
2438       unsigned int sexpsz = Rf_length(obj);
2439       p = new std::vector< std::vector<unsigned int> > (sexpsz);
2440 
2441       for (unsigned listpos = 0; listpos < sexpsz; ++listpos)
2442         {
2443           unsigned vecsize = Rf_length(VECTOR_ELT(obj, listpos));
2444           for (unsigned vpos = 0; vpos < vecsize; ++vpos)
2445             {
2446               (*p)[listpos].push_back(static_cast<int>(INTEGER_POINTER(VECTOR_ELT(obj, listpos))[vpos]));
2447             }
2448         }
2449 
2450       int res = SWIG_OK;
2451 
2452       if (SWIG_IsOK(res)) {
2453         if (val) *val = p;
2454       }
2455       return res;
2456     }
2457   };
2458 
2459   template <>
2460     struct traits_asptr < std::vector< std::vector< int> > > {
asptrswig::traits_asptr2461     static int asptr(SEXP obj, std::vector< std::vector< int> > **val) {
2462       std::vector <std::vector< int> > *p;
2463       // this is the length of the list
2464       unsigned int sexpsz = Rf_length(obj);
2465       p = new std::vector< std::vector< int> > (sexpsz);
2466 
2467       for (unsigned listpos = 0; listpos < sexpsz; ++listpos)
2468         {
2469           unsigned vecsize = Rf_length(VECTOR_ELT(obj, listpos));
2470           for (unsigned vpos = 0; vpos < vecsize; ++vpos)
2471             {
2472               (*p)[listpos].push_back(static_cast<int>(INTEGER_POINTER(VECTOR_ELT(obj, listpos))[vpos]));
2473             }
2474         }
2475 
2476       int res = SWIG_OK;
2477 
2478       if (SWIG_IsOK(res)) {
2479         if (val) *val = p;
2480       }
2481       return res;
2482     }
2483   };
2484 
2485   template <>
2486     struct traits_asptr < std::vector< std::vector< float> > > {
asptrswig::traits_asptr2487     static int asptr(SEXP obj, std::vector< std::vector< float> > **val) {
2488       std::vector <std::vector< float> > *p;
2489       // this is the length of the list
2490       unsigned int sexpsz = Rf_length(obj);
2491       p = new std::vector< std::vector< float> > (sexpsz);
2492 
2493       for (unsigned listpos = 0; listpos < sexpsz; ++listpos)
2494         {
2495           unsigned vecsize = Rf_length(VECTOR_ELT(obj, listpos));
2496           for (unsigned vpos = 0; vpos < vecsize; ++vpos)
2497             {
2498               (*p)[listpos].push_back(static_cast<float>(NUMERIC_POINTER(VECTOR_ELT(obj, listpos))[vpos]));
2499             }
2500         }
2501 
2502       int res = SWIG_OK;
2503 
2504       if (SWIG_IsOK(res)) {
2505         if (val) *val = p;
2506       }
2507       return res;
2508     }
2509   };
2510 
2511   template <>
2512     struct traits_asptr < std::vector< std::vector< double> > > {
asptrswig::traits_asptr2513     static int asptr(SEXP obj, std::vector< std::vector< double> > **val) {
2514       std::vector <std::vector< double> > *p;
2515       // this is the length of the list
2516       unsigned int sexpsz = Rf_length(obj);
2517       p = new std::vector< std::vector< double> > (sexpsz);
2518 
2519       for (unsigned listpos = 0; listpos < sexpsz; ++listpos)
2520         {
2521           unsigned vecsize = Rf_length(VECTOR_ELT(obj, listpos));
2522           for (unsigned vpos = 0; vpos < vecsize; ++vpos)
2523             {
2524               (*p)[listpos].push_back(static_cast<double>(NUMERIC_POINTER(VECTOR_ELT(obj, listpos))[vpos]));
2525             }
2526         }
2527 
2528       int res = SWIG_OK;
2529 
2530       if (SWIG_IsOK(res)) {
2531         if (val) *val = p;
2532       }
2533       return res;
2534     }
2535   };
2536 
2537   template <>
2538     struct traits_asptr < std::vector< std::vector< bool > > > {
asptrswig::traits_asptr2539     static int asptr(SEXP obj, std::vector< std::vector< bool> > **val) {
2540       std::vector <std::vector< bool > > *p;
2541       // this is the length of the list
2542       unsigned int sexpsz = Rf_length(obj);
2543       p = new std::vector< std::vector< bool > > (sexpsz);
2544 
2545       for (unsigned listpos = 0; listpos < sexpsz; ++listpos)
2546         {
2547           unsigned vecsize = Rf_length(VECTOR_ELT(obj, listpos));
2548           for (unsigned vpos = 0; vpos < vecsize; ++vpos)
2549             {
2550               (*p)[listpos].push_back(static_cast<bool>(LOGICAL_POINTER(VECTOR_ELT(obj, listpos))[vpos]));
2551             }
2552         }
2553 
2554       int res = SWIG_OK;
2555 
2556       if (SWIG_IsOK(res)) {
2557         if (val) *val = p;
2558       }
2559       return res;
2560     }
2561   };
2562 
2563   //  catchall
2564   template <typename T>
2565     struct traits_asptr < std::vector< std::vector<T> > > {
asptrswig::traits_asptr2566     static int asptr(SEXP obj, std::vector< std::vector<T> > **val) {
2567       std::vector< std::vector<T> > *p;
2568       Rprintf("vector of vectors - unsupported content\n");
2569       int res = SWIG_R_ConvertPtr(obj, (void**)&p, type_info< std::vector< std::vector<T> > > (), 0);
2570       if (SWIG_IsOK(res)) {
2571         if (val) *val = p;
2572       }
2573       return res;
2574     }
2575   };
2576 
2577   }
2578 
2579 
2580   namespace swig {
2581     template <>  struct traits< std::vector<int> > {
2582       typedef pointer_category category;
type_nameswig::traits2583       static const char* type_name() {
2584         return"std::vector<int>";
2585       }
2586     };
2587   }
2588 
std_vector_Sl_int_Sg____nonzero__(std::vector<int> const * self)2589 SWIGINTERN bool std_vector_Sl_int_Sg____nonzero__(std::vector< int > const *self){
2590       return !(self->empty());
2591     }
std_vector_Sl_int_Sg____len__(std::vector<int> const * self)2592 SWIGINTERN std::vector< int >::size_type std_vector_Sl_int_Sg____len__(std::vector< int > const *self){
2593       return self->size();
2594     }
2595 
2596 SWIGINTERNINLINE SEXP
SWIG_From_long(long value)2597 SWIG_From_long  (long value)
2598 {
2599 	return Rf_ScalarInteger((int)value);
2600 }
2601 
2602 
2603 SWIGINTERNINLINE SEXP
SWIG_From_int(int value)2604 SWIG_From_int  (int value)
2605 {
2606   return SWIG_From_long  (value);
2607 }
2608 
2609 
2610 #include <limits.h>
2611 #if !defined(SWIG_NO_LLONG_MAX)
2612 # if !defined(LLONG_MAX) && defined(__GNUC__) && defined (__LONG_LONG_MAX__)
2613 #   define LLONG_MAX __LONG_LONG_MAX__
2614 #   define LLONG_MIN (-LLONG_MAX - 1LL)
2615 #   define ULLONG_MAX (LLONG_MAX * 2ULL + 1ULL)
2616 # endif
2617 #endif
2618 
2619 
2620 SWIGINTERNINLINE  int
SWIG_AsVal_long(SEXP obj,long * val)2621 SWIG_AsVal_long (SEXP obj, long *val)
2622 {
2623    if (val) *val = Rf_asInteger(obj);
2624    return SWIG_OK;
2625 }
2626 
2627 
2628 SWIGINTERN int
SWIG_AsVal_int(SEXP obj,int * val)2629 SWIG_AsVal_int (SEXP obj, int *val)
2630 {
2631   long v;
2632   int res = SWIG_AsVal_long (obj, &v);
2633   if (SWIG_IsOK(res)) {
2634     if ((v < INT_MIN || v > INT_MAX)) {
2635       return SWIG_OverflowError;
2636     } else {
2637       if (val) *val = static_cast< int >(v);
2638     }
2639   }
2640   return res;
2641 }
2642 
std_vector_Sl_int_Sg____getslice__(std::vector<int> * self,std::vector<int>::difference_type i,std::vector<int>::difference_type j)2643 SWIGINTERN std::vector< int,std::allocator< int > > *std_vector_Sl_int_Sg____getslice__(std::vector< int > *self,std::vector< int >::difference_type i,std::vector< int >::difference_type j){
2644       return swig::getslice(self, i, j);
2645     }
std_vector_Sl_int_Sg____setslice__(std::vector<int> * self,std::vector<int>::difference_type i,std::vector<int>::difference_type j,std::vector<int,std::allocator<int>> const & v)2646 SWIGINTERN void std_vector_Sl_int_Sg____setslice__(std::vector< int > *self,std::vector< int >::difference_type i,std::vector< int >::difference_type j,std::vector< int,std::allocator< int > > const &v){
2647       swig::setslice(self, i, j, v);
2648     }
std_vector_Sl_int_Sg____delslice__(std::vector<int> * self,std::vector<int>::difference_type i,std::vector<int>::difference_type j)2649 SWIGINTERN void std_vector_Sl_int_Sg____delslice__(std::vector< int > *self,std::vector< int >::difference_type i,std::vector< int >::difference_type j){
2650       swig::delslice(self, i, j);
2651     }
std_vector_Sl_int_Sg____delitem__(std::vector<int> * self,std::vector<int>::difference_type i)2652 SWIGINTERN void std_vector_Sl_int_Sg____delitem__(std::vector< int > *self,std::vector< int >::difference_type i){
2653       self->erase(swig::getpos(self,i));
2654     }
std_vector_Sl_int_Sg____getitem__(std::vector<int> const * self,std::vector<int>::difference_type i)2655 SWIGINTERN std::vector< int >::value_type const &std_vector_Sl_int_Sg____getitem__(std::vector< int > const *self,std::vector< int >::difference_type i){
2656       return *(swig::cgetpos(self, i));
2657     }
std_vector_Sl_int_Sg____setitem__(std::vector<int> * self,std::vector<int>::difference_type i,std::vector<int>::value_type const & x)2658 SWIGINTERN void std_vector_Sl_int_Sg____setitem__(std::vector< int > *self,std::vector< int >::difference_type i,std::vector< int >::value_type const &x){
2659       *(swig::getpos(self,i)) = x;
2660     }
2661 
2662   namespace swig {
2663     template <>  struct traits< std::vector<unsigned int> > {
2664       typedef pointer_category category;
type_nameswig::traits2665       static const char* type_name() {
2666         return"std::vector<unsigned int>";
2667       }
2668     };
2669   }
2670 
std_vector_Sl_unsigned_SS_int_Sg____nonzero__(std::vector<unsigned int> const * self)2671 SWIGINTERN bool std_vector_Sl_unsigned_SS_int_Sg____nonzero__(std::vector< unsigned int > const *self){
2672       return !(self->empty());
2673     }
std_vector_Sl_unsigned_SS_int_Sg____len__(std::vector<unsigned int> const * self)2674 SWIGINTERN std::vector< unsigned int >::size_type std_vector_Sl_unsigned_SS_int_Sg____len__(std::vector< unsigned int > const *self){
2675       return self->size();
2676     }
std_vector_Sl_unsigned_SS_int_Sg____getslice__(std::vector<unsigned int> * self,std::vector<unsigned int>::difference_type i,std::vector<unsigned int>::difference_type j)2677 SWIGINTERN std::vector< unsigned int,std::allocator< unsigned int > > *std_vector_Sl_unsigned_SS_int_Sg____getslice__(std::vector< unsigned int > *self,std::vector< unsigned int >::difference_type i,std::vector< unsigned int >::difference_type j){
2678       return swig::getslice(self, i, j);
2679     }
std_vector_Sl_unsigned_SS_int_Sg____setslice__(std::vector<unsigned int> * self,std::vector<unsigned int>::difference_type i,std::vector<unsigned int>::difference_type j,std::vector<unsigned int,std::allocator<unsigned int>> const & v)2680 SWIGINTERN void std_vector_Sl_unsigned_SS_int_Sg____setslice__(std::vector< unsigned int > *self,std::vector< unsigned int >::difference_type i,std::vector< unsigned int >::difference_type j,std::vector< unsigned int,std::allocator< unsigned int > > const &v){
2681       swig::setslice(self, i, j, v);
2682     }
std_vector_Sl_unsigned_SS_int_Sg____delslice__(std::vector<unsigned int> * self,std::vector<unsigned int>::difference_type i,std::vector<unsigned int>::difference_type j)2683 SWIGINTERN void std_vector_Sl_unsigned_SS_int_Sg____delslice__(std::vector< unsigned int > *self,std::vector< unsigned int >::difference_type i,std::vector< unsigned int >::difference_type j){
2684       swig::delslice(self, i, j);
2685     }
std_vector_Sl_unsigned_SS_int_Sg____delitem__(std::vector<unsigned int> * self,std::vector<unsigned int>::difference_type i)2686 SWIGINTERN void std_vector_Sl_unsigned_SS_int_Sg____delitem__(std::vector< unsigned int > *self,std::vector< unsigned int >::difference_type i){
2687       self->erase(swig::getpos(self,i));
2688     }
std_vector_Sl_unsigned_SS_int_Sg____getitem__(std::vector<unsigned int> const * self,std::vector<unsigned int>::difference_type i)2689 SWIGINTERN std::vector< unsigned int >::value_type const &std_vector_Sl_unsigned_SS_int_Sg____getitem__(std::vector< unsigned int > const *self,std::vector< unsigned int >::difference_type i){
2690       return *(swig::cgetpos(self, i));
2691     }
2692 
2693 SWIGINTERNINLINE SEXP
SWIG_From_unsigned_SS_long(unsigned long value)2694 SWIG_From_unsigned_SS_long  (unsigned long value)
2695 {
2696 	return Rf_ScalarInteger((int)value);
2697 }
2698 
2699 
2700 SWIGINTERNINLINE SEXP
SWIG_From_unsigned_SS_int(unsigned int value)2701 SWIG_From_unsigned_SS_int  (unsigned int value)
2702 {
2703   return SWIG_From_unsigned_SS_long  (value);
2704 }
2705 
2706 
2707 SWIGINTERNINLINE  int
SWIG_AsVal_unsigned_SS_long(SEXP obj,unsigned long * val)2708 SWIG_AsVal_unsigned_SS_long (SEXP obj, unsigned long *val)
2709 {
2710    if (val) *val = Rf_asInteger(obj);
2711    return SWIG_OK;
2712 }
2713 
2714 
2715 SWIGINTERN int
SWIG_AsVal_unsigned_SS_int(SEXP obj,unsigned int * val)2716 SWIG_AsVal_unsigned_SS_int (SEXP obj, unsigned int *val)
2717 {
2718   unsigned long v;
2719   int res = SWIG_AsVal_unsigned_SS_long (obj, &v);
2720   if (SWIG_IsOK(res)) {
2721     if ((v > UINT_MAX)) {
2722       return SWIG_OverflowError;
2723     } else {
2724       if (val) *val = static_cast< unsigned int >(v);
2725     }
2726   }
2727   return res;
2728 }
2729 
std_vector_Sl_unsigned_SS_int_Sg____setitem__(std::vector<unsigned int> * self,std::vector<unsigned int>::difference_type i,std::vector<unsigned int>::value_type const & x)2730 SWIGINTERN void std_vector_Sl_unsigned_SS_int_Sg____setitem__(std::vector< unsigned int > *self,std::vector< unsigned int >::difference_type i,std::vector< unsigned int >::value_type const &x){
2731       *(swig::getpos(self,i)) = x;
2732     }
2733 
2734   namespace swig {
2735     template <>  struct traits< std::vector< std::vector<int> > > {
2736       typedef pointer_category category;
type_nameswig::traits2737       static const char* type_name() {
2738         return"std::vector< std::vector<int> >";
2739       }
2740     };
2741   }
2742 
std_vector_Sl_std_vector_Sl_int_Sg__Sg____nonzero__(std::vector<std::vector<int>> const * self)2743 SWIGINTERN bool std_vector_Sl_std_vector_Sl_int_Sg__Sg____nonzero__(std::vector< std::vector< int > > const *self){
2744       return !(self->empty());
2745     }
std_vector_Sl_std_vector_Sl_int_Sg__Sg____len__(std::vector<std::vector<int>> const * self)2746 SWIGINTERN std::vector< std::vector< int > >::size_type std_vector_Sl_std_vector_Sl_int_Sg__Sg____len__(std::vector< std::vector< int > > const *self){
2747       return self->size();
2748     }
std_vector_Sl_std_vector_Sl_int_Sg__Sg____getslice__(std::vector<std::vector<int>> * self,std::vector<std::vector<int>>::difference_type i,std::vector<std::vector<int>>::difference_type j)2749 SWIGINTERN std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > *std_vector_Sl_std_vector_Sl_int_Sg__Sg____getslice__(std::vector< std::vector< int > > *self,std::vector< std::vector< int > >::difference_type i,std::vector< std::vector< int > >::difference_type j){
2750       return swig::getslice(self, i, j);
2751     }
std_vector_Sl_std_vector_Sl_int_Sg__Sg____setslice__(std::vector<std::vector<int>> * self,std::vector<std::vector<int>>::difference_type i,std::vector<std::vector<int>>::difference_type j,std::vector<std::vector<int,std::allocator<int>>,std::allocator<std::vector<int,std::allocator<int>>>> const & v)2752 SWIGINTERN void std_vector_Sl_std_vector_Sl_int_Sg__Sg____setslice__(std::vector< std::vector< int > > *self,std::vector< std::vector< int > >::difference_type i,std::vector< std::vector< int > >::difference_type j,std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > const &v){
2753       swig::setslice(self, i, j, v);
2754     }
std_vector_Sl_std_vector_Sl_int_Sg__Sg____delslice__(std::vector<std::vector<int>> * self,std::vector<std::vector<int>>::difference_type i,std::vector<std::vector<int>>::difference_type j)2755 SWIGINTERN void std_vector_Sl_std_vector_Sl_int_Sg__Sg____delslice__(std::vector< std::vector< int > > *self,std::vector< std::vector< int > >::difference_type i,std::vector< std::vector< int > >::difference_type j){
2756       swig::delslice(self, i, j);
2757     }
std_vector_Sl_std_vector_Sl_int_Sg__Sg____delitem__(std::vector<std::vector<int>> * self,std::vector<std::vector<int>>::difference_type i)2758 SWIGINTERN void std_vector_Sl_std_vector_Sl_int_Sg__Sg____delitem__(std::vector< std::vector< int > > *self,std::vector< std::vector< int > >::difference_type i){
2759       self->erase(swig::getpos(self,i));
2760     }
std_vector_Sl_std_vector_Sl_int_Sg__Sg____getitem__(std::vector<std::vector<int>> const * self,std::vector<std::vector<int>>::difference_type i)2761 SWIGINTERN std::vector< std::vector< int > >::value_type const &std_vector_Sl_std_vector_Sl_int_Sg__Sg____getitem__(std::vector< std::vector< int > > const *self,std::vector< std::vector< int > >::difference_type i){
2762       return *(swig::cgetpos(self, i));
2763     }
std_vector_Sl_std_vector_Sl_int_Sg__Sg____setitem__(std::vector<std::vector<int>> * self,std::vector<std::vector<int>>::difference_type i,std::vector<std::vector<int>>::value_type const & x)2764 SWIGINTERN void std_vector_Sl_std_vector_Sl_int_Sg__Sg____setitem__(std::vector< std::vector< int > > *self,std::vector< std::vector< int > >::difference_type i,std::vector< std::vector< int > >::value_type const &x){
2765       *(swig::getpos(self,i)) = x;
2766     }
2767 
2768   namespace swig {
2769     template <>  struct traits< std::vector<double> > {
2770       typedef pointer_category category;
type_nameswig::traits2771       static const char* type_name() {
2772         return"std::vector<double>";
2773       }
2774     };
2775   }
2776 
std_vector_Sl_double_Sg____nonzero__(std::vector<double> const * self)2777 SWIGINTERN bool std_vector_Sl_double_Sg____nonzero__(std::vector< double > const *self){
2778       return !(self->empty());
2779     }
std_vector_Sl_double_Sg____len__(std::vector<double> const * self)2780 SWIGINTERN std::vector< double >::size_type std_vector_Sl_double_Sg____len__(std::vector< double > const *self){
2781       return self->size();
2782     }
std_vector_Sl_double_Sg____getslice__(std::vector<double> * self,std::vector<double>::difference_type i,std::vector<double>::difference_type j)2783 SWIGINTERN std::vector< double,std::allocator< double > > *std_vector_Sl_double_Sg____getslice__(std::vector< double > *self,std::vector< double >::difference_type i,std::vector< double >::difference_type j){
2784       return swig::getslice(self, i, j);
2785     }
std_vector_Sl_double_Sg____setslice__(std::vector<double> * self,std::vector<double>::difference_type i,std::vector<double>::difference_type j,std::vector<double,std::allocator<double>> const & v)2786 SWIGINTERN void std_vector_Sl_double_Sg____setslice__(std::vector< double > *self,std::vector< double >::difference_type i,std::vector< double >::difference_type j,std::vector< double,std::allocator< double > > const &v){
2787       swig::setslice(self, i, j, v);
2788     }
std_vector_Sl_double_Sg____delslice__(std::vector<double> * self,std::vector<double>::difference_type i,std::vector<double>::difference_type j)2789 SWIGINTERN void std_vector_Sl_double_Sg____delslice__(std::vector< double > *self,std::vector< double >::difference_type i,std::vector< double >::difference_type j){
2790       swig::delslice(self, i, j);
2791     }
std_vector_Sl_double_Sg____delitem__(std::vector<double> * self,std::vector<double>::difference_type i)2792 SWIGINTERN void std_vector_Sl_double_Sg____delitem__(std::vector< double > *self,std::vector< double >::difference_type i){
2793       self->erase(swig::getpos(self,i));
2794     }
std_vector_Sl_double_Sg____getitem__(std::vector<double> const * self,std::vector<double>::difference_type i)2795 SWIGINTERN std::vector< double >::value_type const &std_vector_Sl_double_Sg____getitem__(std::vector< double > const *self,std::vector< double >::difference_type i){
2796       return *(swig::cgetpos(self, i));
2797     }
2798 
2799 SWIGINTERNINLINE SEXP
SWIG_From_double(double value)2800 SWIG_From_double  (double value)
2801 {
2802 	return Rf_ScalarReal(value);
2803 }
2804 
2805 
2806 SWIGINTERNINLINE  int
SWIG_AsVal_double(SEXP obj,double * val)2807 SWIG_AsVal_double (SEXP obj, double *val)
2808 {
2809    if (val) *val = Rf_asReal(obj);
2810    return SWIG_OK;
2811 }
2812 
std_vector_Sl_double_Sg____setitem__(std::vector<double> * self,std::vector<double>::difference_type i,std::vector<double>::value_type const & x)2813 SWIGINTERN void std_vector_Sl_double_Sg____setitem__(std::vector< double > *self,std::vector< double >::difference_type i,std::vector< double >::value_type const &x){
2814       *(swig::getpos(self,i)) = x;
2815     }
2816 
2817 SWIGINTERN int
SWIG_AsVal_std_string(SEXP obj,std::string * val)2818 SWIG_AsVal_std_string (SEXP obj, std::string *val)
2819 {
2820   std::string* v = (std::string *) 0;
2821   int res = SWIG_AsPtr_std_string (obj, &v);
2822   if (!SWIG_IsOK(res)) return res;
2823   if (v) {
2824     if (val) *val = *v;
2825     if (SWIG_IsNewObj(res)) {
2826       delete v;
2827       res = SWIG_DelNewMask(res);
2828     }
2829     return res;
2830   }
2831   return SWIG_ERROR;
2832 }
2833 
2834 
2835 namespace swig {
2836   template <> struct traits<std::string > {
2837     typedef value_category category;
type_nameswig::traits2838     static const char* type_name() { return"std::string"; }
2839   };
2840   template <>  struct traits_asval<std::string > {
2841     typedef std::string value_type;
asvalswig::traits_asval2842     static int asval(SEXP obj, value_type *val) {
2843       return SWIG_AsVal_std_string (obj, val);
2844     }
2845   };
2846   template <>  struct traits_from<std::string > {
2847     typedef std::string value_type;
fromswig::traits_from2848     static SEXP from(const value_type& val) {
2849       return SWIG_From_std_string  (val);
2850     }
2851   };
2852 }
2853 
2854 
2855       namespace swig {
2856 	template <>  struct traits<std::vector<std::string, std::allocator< std::string > > > {
2857 	  typedef pointer_category category;
type_nameswig::traits2858 	  static const char* type_name() {
2859 	    return "std::vector<" "std::string" "," "std::allocator< std::string >" " >";
2860 	  }
2861 	};
2862       }
2863 
std_vector_Sl_std_string_Sg____nonzero__(std::vector<std::string> const * self)2864 SWIGINTERN bool std_vector_Sl_std_string_Sg____nonzero__(std::vector< std::string > const *self){
2865       return !(self->empty());
2866     }
std_vector_Sl_std_string_Sg____len__(std::vector<std::string> const * self)2867 SWIGINTERN std::vector< std::string >::size_type std_vector_Sl_std_string_Sg____len__(std::vector< std::string > const *self){
2868       return self->size();
2869     }
std_vector_Sl_std_string_Sg____getslice__(std::vector<std::string> * self,std::vector<std::string>::difference_type i,std::vector<std::string>::difference_type j)2870 SWIGINTERN std::vector< std::string,std::allocator< std::string > > *std_vector_Sl_std_string_Sg____getslice__(std::vector< std::string > *self,std::vector< std::string >::difference_type i,std::vector< std::string >::difference_type j){
2871       return swig::getslice(self, i, j);
2872     }
std_vector_Sl_std_string_Sg____setslice__(std::vector<std::string> * self,std::vector<std::string>::difference_type i,std::vector<std::string>::difference_type j,std::vector<std::string,std::allocator<std::string>> const & v)2873 SWIGINTERN void std_vector_Sl_std_string_Sg____setslice__(std::vector< std::string > *self,std::vector< std::string >::difference_type i,std::vector< std::string >::difference_type j,std::vector< std::string,std::allocator< std::string > > const &v){
2874       swig::setslice(self, i, j, v);
2875     }
std_vector_Sl_std_string_Sg____delslice__(std::vector<std::string> * self,std::vector<std::string>::difference_type i,std::vector<std::string>::difference_type j)2876 SWIGINTERN void std_vector_Sl_std_string_Sg____delslice__(std::vector< std::string > *self,std::vector< std::string >::difference_type i,std::vector< std::string >::difference_type j){
2877       swig::delslice(self, i, j);
2878     }
std_vector_Sl_std_string_Sg____delitem__(std::vector<std::string> * self,std::vector<std::string>::difference_type i)2879 SWIGINTERN void std_vector_Sl_std_string_Sg____delitem__(std::vector< std::string > *self,std::vector< std::string >::difference_type i){
2880       self->erase(swig::getpos(self,i));
2881     }
std_vector_Sl_std_string_Sg____getitem__(std::vector<std::string> const * self,std::vector<std::string>::difference_type i)2882 SWIGINTERN std::vector< std::string >::value_type const &std_vector_Sl_std_string_Sg____getitem__(std::vector< std::string > const *self,std::vector< std::string >::difference_type i){
2883       return *(swig::cgetpos(self, i));
2884     }
std_vector_Sl_std_string_Sg____setitem__(std::vector<std::string> * self,std::vector<std::string>::difference_type i,std::vector<std::string>::value_type const & x)2885 SWIGINTERN void std_vector_Sl_std_string_Sg____setitem__(std::vector< std::string > *self,std::vector< std::string >::difference_type i,std::vector< std::string >::value_type const &x){
2886       *(swig::getpos(self,i)) = x;
2887     }
2888 
2889   namespace swig {
2890     template <>  struct traits<OpenBabel::vector3 > {
2891       typedef pointer_category category;
type_nameswig::traits2892       static const char* type_name() { return"OpenBabel::vector3"; }
2893     };
2894   }
2895 
2896 
2897       namespace swig {
2898 	template <>  struct traits<std::vector<OpenBabel::vector3, std::allocator< OpenBabel::vector3 > > > {
2899 	  typedef pointer_category category;
type_nameswig::traits2900 	  static const char* type_name() {
2901 	    return "std::vector<" "OpenBabel::vector3" "," "std::allocator< OpenBabel::vector3 >" " >";
2902 	  }
2903 	};
2904       }
2905 
std_vector_Sl_OpenBabel_vector3_Sg____nonzero__(std::vector<OpenBabel::vector3> const * self)2906 SWIGINTERN bool std_vector_Sl_OpenBabel_vector3_Sg____nonzero__(std::vector< OpenBabel::vector3 > const *self){
2907       return !(self->empty());
2908     }
std_vector_Sl_OpenBabel_vector3_Sg____len__(std::vector<OpenBabel::vector3> const * self)2909 SWIGINTERN std::vector< OpenBabel::vector3 >::size_type std_vector_Sl_OpenBabel_vector3_Sg____len__(std::vector< OpenBabel::vector3 > const *self){
2910       return self->size();
2911     }
std_vector_Sl_OpenBabel_vector3_Sg____getslice__(std::vector<OpenBabel::vector3> * self,std::vector<OpenBabel::vector3>::difference_type i,std::vector<OpenBabel::vector3>::difference_type j)2912 SWIGINTERN std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > *std_vector_Sl_OpenBabel_vector3_Sg____getslice__(std::vector< OpenBabel::vector3 > *self,std::vector< OpenBabel::vector3 >::difference_type i,std::vector< OpenBabel::vector3 >::difference_type j){
2913       return swig::getslice(self, i, j);
2914     }
std_vector_Sl_OpenBabel_vector3_Sg____setslice__(std::vector<OpenBabel::vector3> * self,std::vector<OpenBabel::vector3>::difference_type i,std::vector<OpenBabel::vector3>::difference_type j,std::vector<OpenBabel::vector3,std::allocator<OpenBabel::vector3>> const & v)2915 SWIGINTERN void std_vector_Sl_OpenBabel_vector3_Sg____setslice__(std::vector< OpenBabel::vector3 > *self,std::vector< OpenBabel::vector3 >::difference_type i,std::vector< OpenBabel::vector3 >::difference_type j,std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > const &v){
2916       swig::setslice(self, i, j, v);
2917     }
std_vector_Sl_OpenBabel_vector3_Sg____delslice__(std::vector<OpenBabel::vector3> * self,std::vector<OpenBabel::vector3>::difference_type i,std::vector<OpenBabel::vector3>::difference_type j)2918 SWIGINTERN void std_vector_Sl_OpenBabel_vector3_Sg____delslice__(std::vector< OpenBabel::vector3 > *self,std::vector< OpenBabel::vector3 >::difference_type i,std::vector< OpenBabel::vector3 >::difference_type j){
2919       swig::delslice(self, i, j);
2920     }
std_vector_Sl_OpenBabel_vector3_Sg____delitem__(std::vector<OpenBabel::vector3> * self,std::vector<OpenBabel::vector3>::difference_type i)2921 SWIGINTERN void std_vector_Sl_OpenBabel_vector3_Sg____delitem__(std::vector< OpenBabel::vector3 > *self,std::vector< OpenBabel::vector3 >::difference_type i){
2922       self->erase(swig::getpos(self,i));
2923     }
std_vector_Sl_OpenBabel_vector3_Sg____getitem__(std::vector<OpenBabel::vector3> const * self,std::vector<OpenBabel::vector3>::difference_type i)2924 SWIGINTERN std::vector< OpenBabel::vector3 >::value_type const &std_vector_Sl_OpenBabel_vector3_Sg____getitem__(std::vector< OpenBabel::vector3 > const *self,std::vector< OpenBabel::vector3 >::difference_type i){
2925       return *(swig::cgetpos(self, i));
2926     }
std_vector_Sl_OpenBabel_vector3_Sg____setitem__(std::vector<OpenBabel::vector3> * self,std::vector<OpenBabel::vector3>::difference_type i,std::vector<OpenBabel::vector3>::value_type const & x)2927 SWIGINTERN void std_vector_Sl_OpenBabel_vector3_Sg____setitem__(std::vector< OpenBabel::vector3 > *self,std::vector< OpenBabel::vector3 >::difference_type i,std::vector< OpenBabel::vector3 >::value_type const &x){
2928       *(swig::getpos(self,i)) = x;
2929     }
2930 
2931       namespace swig {
2932 	template <>  struct traits<std::vector<std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >, std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > > > {
2933 	  typedef pointer_category category;
type_nameswig::traits2934 	  static const char* type_name() {
2935 	    return "std::vector<" "std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >" "," "std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > >" " >";
2936 	  }
2937 	};
2938       }
2939 
std_vector_Sl_std_vector_Sl_OpenBabel_vector3_Sg__Sg____nonzero__(std::vector<std::vector<OpenBabel::vector3>> const * self)2940 SWIGINTERN bool std_vector_Sl_std_vector_Sl_OpenBabel_vector3_Sg__Sg____nonzero__(std::vector< std::vector< OpenBabel::vector3 > > const *self){
2941       return !(self->empty());
2942     }
std_vector_Sl_std_vector_Sl_OpenBabel_vector3_Sg__Sg____len__(std::vector<std::vector<OpenBabel::vector3>> const * self)2943 SWIGINTERN std::vector< std::vector< OpenBabel::vector3 > >::size_type std_vector_Sl_std_vector_Sl_OpenBabel_vector3_Sg__Sg____len__(std::vector< std::vector< OpenBabel::vector3 > > const *self){
2944       return self->size();
2945     }
std_vector_Sl_std_vector_Sl_OpenBabel_vector3_Sg__Sg____getslice__(std::vector<std::vector<OpenBabel::vector3>> * self,std::vector<std::vector<OpenBabel::vector3>>::difference_type i,std::vector<std::vector<OpenBabel::vector3>>::difference_type j)2946 SWIGINTERN std::vector< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > > *std_vector_Sl_std_vector_Sl_OpenBabel_vector3_Sg__Sg____getslice__(std::vector< std::vector< OpenBabel::vector3 > > *self,std::vector< std::vector< OpenBabel::vector3 > >::difference_type i,std::vector< std::vector< OpenBabel::vector3 > >::difference_type j){
2947       return swig::getslice(self, i, j);
2948     }
std_vector_Sl_std_vector_Sl_OpenBabel_vector3_Sg__Sg____setslice__(std::vector<std::vector<OpenBabel::vector3>> * self,std::vector<std::vector<OpenBabel::vector3>>::difference_type i,std::vector<std::vector<OpenBabel::vector3>>::difference_type j,std::vector<std::vector<OpenBabel::vector3,std::allocator<OpenBabel::vector3>>,std::allocator<std::vector<OpenBabel::vector3,std::allocator<OpenBabel::vector3>>>> const & v)2949 SWIGINTERN void std_vector_Sl_std_vector_Sl_OpenBabel_vector3_Sg__Sg____setslice__(std::vector< std::vector< OpenBabel::vector3 > > *self,std::vector< std::vector< OpenBabel::vector3 > >::difference_type i,std::vector< std::vector< OpenBabel::vector3 > >::difference_type j,std::vector< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > > const &v){
2950       swig::setslice(self, i, j, v);
2951     }
std_vector_Sl_std_vector_Sl_OpenBabel_vector3_Sg__Sg____delslice__(std::vector<std::vector<OpenBabel::vector3>> * self,std::vector<std::vector<OpenBabel::vector3>>::difference_type i,std::vector<std::vector<OpenBabel::vector3>>::difference_type j)2952 SWIGINTERN void std_vector_Sl_std_vector_Sl_OpenBabel_vector3_Sg__Sg____delslice__(std::vector< std::vector< OpenBabel::vector3 > > *self,std::vector< std::vector< OpenBabel::vector3 > >::difference_type i,std::vector< std::vector< OpenBabel::vector3 > >::difference_type j){
2953       swig::delslice(self, i, j);
2954     }
std_vector_Sl_std_vector_Sl_OpenBabel_vector3_Sg__Sg____delitem__(std::vector<std::vector<OpenBabel::vector3>> * self,std::vector<std::vector<OpenBabel::vector3>>::difference_type i)2955 SWIGINTERN void std_vector_Sl_std_vector_Sl_OpenBabel_vector3_Sg__Sg____delitem__(std::vector< std::vector< OpenBabel::vector3 > > *self,std::vector< std::vector< OpenBabel::vector3 > >::difference_type i){
2956       self->erase(swig::getpos(self,i));
2957     }
std_vector_Sl_std_vector_Sl_OpenBabel_vector3_Sg__Sg____getitem__(std::vector<std::vector<OpenBabel::vector3>> const * self,std::vector<std::vector<OpenBabel::vector3>>::difference_type i)2958 SWIGINTERN std::vector< std::vector< OpenBabel::vector3 > >::value_type const &std_vector_Sl_std_vector_Sl_OpenBabel_vector3_Sg__Sg____getitem__(std::vector< std::vector< OpenBabel::vector3 > > const *self,std::vector< std::vector< OpenBabel::vector3 > >::difference_type i){
2959       return *(swig::cgetpos(self, i));
2960     }
std_vector_Sl_std_vector_Sl_OpenBabel_vector3_Sg__Sg____setitem__(std::vector<std::vector<OpenBabel::vector3>> * self,std::vector<std::vector<OpenBabel::vector3>>::difference_type i,std::vector<std::vector<OpenBabel::vector3>>::value_type const & x)2961 SWIGINTERN void std_vector_Sl_std_vector_Sl_OpenBabel_vector3_Sg__Sg____setitem__(std::vector< std::vector< OpenBabel::vector3 > > *self,std::vector< std::vector< OpenBabel::vector3 > >::difference_type i,std::vector< std::vector< OpenBabel::vector3 > >::value_type const &x){
2962       *(swig::getpos(self,i)) = x;
2963     }
2964 
2965   namespace swig {
2966     template <>  struct traits<OpenBabel::OBMol > {
2967       typedef pointer_category category;
type_nameswig::traits2968       static const char* type_name() { return"OpenBabel::OBMol"; }
2969     };
2970   }
2971 
2972 
2973       namespace swig {
2974 	template <>  struct traits<std::vector<OpenBabel::OBMol, std::allocator< OpenBabel::OBMol > > > {
2975 	  typedef pointer_category category;
type_nameswig::traits2976 	  static const char* type_name() {
2977 	    return "std::vector<" "OpenBabel::OBMol" "," "std::allocator< OpenBabel::OBMol >" " >";
2978 	  }
2979 	};
2980       }
2981 
std_vector_Sl_OpenBabel_OBMol_Sg____nonzero__(std::vector<OpenBabel::OBMol> const * self)2982 SWIGINTERN bool std_vector_Sl_OpenBabel_OBMol_Sg____nonzero__(std::vector< OpenBabel::OBMol > const *self){
2983       return !(self->empty());
2984     }
std_vector_Sl_OpenBabel_OBMol_Sg____len__(std::vector<OpenBabel::OBMol> const * self)2985 SWIGINTERN std::vector< OpenBabel::OBMol >::size_type std_vector_Sl_OpenBabel_OBMol_Sg____len__(std::vector< OpenBabel::OBMol > const *self){
2986       return self->size();
2987     }
std_vector_Sl_OpenBabel_OBMol_Sg____getslice__(std::vector<OpenBabel::OBMol> * self,std::vector<OpenBabel::OBMol>::difference_type i,std::vector<OpenBabel::OBMol>::difference_type j)2988 SWIGINTERN std::vector< OpenBabel::OBMol,std::allocator< OpenBabel::OBMol > > *std_vector_Sl_OpenBabel_OBMol_Sg____getslice__(std::vector< OpenBabel::OBMol > *self,std::vector< OpenBabel::OBMol >::difference_type i,std::vector< OpenBabel::OBMol >::difference_type j){
2989       return swig::getslice(self, i, j);
2990     }
std_vector_Sl_OpenBabel_OBMol_Sg____setslice__(std::vector<OpenBabel::OBMol> * self,std::vector<OpenBabel::OBMol>::difference_type i,std::vector<OpenBabel::OBMol>::difference_type j,std::vector<OpenBabel::OBMol,std::allocator<OpenBabel::OBMol>> const & v)2991 SWIGINTERN void std_vector_Sl_OpenBabel_OBMol_Sg____setslice__(std::vector< OpenBabel::OBMol > *self,std::vector< OpenBabel::OBMol >::difference_type i,std::vector< OpenBabel::OBMol >::difference_type j,std::vector< OpenBabel::OBMol,std::allocator< OpenBabel::OBMol > > const &v){
2992       swig::setslice(self, i, j, v);
2993     }
std_vector_Sl_OpenBabel_OBMol_Sg____delslice__(std::vector<OpenBabel::OBMol> * self,std::vector<OpenBabel::OBMol>::difference_type i,std::vector<OpenBabel::OBMol>::difference_type j)2994 SWIGINTERN void std_vector_Sl_OpenBabel_OBMol_Sg____delslice__(std::vector< OpenBabel::OBMol > *self,std::vector< OpenBabel::OBMol >::difference_type i,std::vector< OpenBabel::OBMol >::difference_type j){
2995       swig::delslice(self, i, j);
2996     }
std_vector_Sl_OpenBabel_OBMol_Sg____delitem__(std::vector<OpenBabel::OBMol> * self,std::vector<OpenBabel::OBMol>::difference_type i)2997 SWIGINTERN void std_vector_Sl_OpenBabel_OBMol_Sg____delitem__(std::vector< OpenBabel::OBMol > *self,std::vector< OpenBabel::OBMol >::difference_type i){
2998       self->erase(swig::getpos(self,i));
2999     }
std_vector_Sl_OpenBabel_OBMol_Sg____getitem__(std::vector<OpenBabel::OBMol> const * self,std::vector<OpenBabel::OBMol>::difference_type i)3000 SWIGINTERN std::vector< OpenBabel::OBMol >::value_type const &std_vector_Sl_OpenBabel_OBMol_Sg____getitem__(std::vector< OpenBabel::OBMol > const *self,std::vector< OpenBabel::OBMol >::difference_type i){
3001       return *(swig::cgetpos(self, i));
3002     }
std_vector_Sl_OpenBabel_OBMol_Sg____setitem__(std::vector<OpenBabel::OBMol> * self,std::vector<OpenBabel::OBMol>::difference_type i,std::vector<OpenBabel::OBMol>::value_type const & x)3003 SWIGINTERN void std_vector_Sl_OpenBabel_OBMol_Sg____setitem__(std::vector< OpenBabel::OBMol > *self,std::vector< OpenBabel::OBMol >::difference_type i,std::vector< OpenBabel::OBMol >::value_type const &x){
3004       *(swig::getpos(self,i)) = x;
3005     }
3006 
3007   namespace swig {
3008     template <>  struct traits<OpenBabel::OBBond > {
3009       typedef pointer_category category;
type_nameswig::traits3010       static const char* type_name() { return"OpenBabel::OBBond"; }
3011     };
3012   }
3013 
3014 
3015       namespace swig {
3016 	template <>  struct traits<std::vector<OpenBabel::OBBond, std::allocator< OpenBabel::OBBond > > > {
3017 	  typedef pointer_category category;
type_nameswig::traits3018 	  static const char* type_name() {
3019 	    return "std::vector<" "OpenBabel::OBBond" "," "std::allocator< OpenBabel::OBBond >" " >";
3020 	  }
3021 	};
3022       }
3023 
std_vector_Sl_OpenBabel_OBBond_Sg____nonzero__(std::vector<OpenBabel::OBBond> const * self)3024 SWIGINTERN bool std_vector_Sl_OpenBabel_OBBond_Sg____nonzero__(std::vector< OpenBabel::OBBond > const *self){
3025       return !(self->empty());
3026     }
std_vector_Sl_OpenBabel_OBBond_Sg____len__(std::vector<OpenBabel::OBBond> const * self)3027 SWIGINTERN std::vector< OpenBabel::OBBond >::size_type std_vector_Sl_OpenBabel_OBBond_Sg____len__(std::vector< OpenBabel::OBBond > const *self){
3028       return self->size();
3029     }
std_vector_Sl_OpenBabel_OBBond_Sg____getslice__(std::vector<OpenBabel::OBBond> * self,std::vector<OpenBabel::OBBond>::difference_type i,std::vector<OpenBabel::OBBond>::difference_type j)3030 SWIGINTERN std::vector< OpenBabel::OBBond,std::allocator< OpenBabel::OBBond > > *std_vector_Sl_OpenBabel_OBBond_Sg____getslice__(std::vector< OpenBabel::OBBond > *self,std::vector< OpenBabel::OBBond >::difference_type i,std::vector< OpenBabel::OBBond >::difference_type j){
3031       return swig::getslice(self, i, j);
3032     }
std_vector_Sl_OpenBabel_OBBond_Sg____setslice__(std::vector<OpenBabel::OBBond> * self,std::vector<OpenBabel::OBBond>::difference_type i,std::vector<OpenBabel::OBBond>::difference_type j,std::vector<OpenBabel::OBBond,std::allocator<OpenBabel::OBBond>> const & v)3033 SWIGINTERN void std_vector_Sl_OpenBabel_OBBond_Sg____setslice__(std::vector< OpenBabel::OBBond > *self,std::vector< OpenBabel::OBBond >::difference_type i,std::vector< OpenBabel::OBBond >::difference_type j,std::vector< OpenBabel::OBBond,std::allocator< OpenBabel::OBBond > > const &v){
3034       swig::setslice(self, i, j, v);
3035     }
std_vector_Sl_OpenBabel_OBBond_Sg____delslice__(std::vector<OpenBabel::OBBond> * self,std::vector<OpenBabel::OBBond>::difference_type i,std::vector<OpenBabel::OBBond>::difference_type j)3036 SWIGINTERN void std_vector_Sl_OpenBabel_OBBond_Sg____delslice__(std::vector< OpenBabel::OBBond > *self,std::vector< OpenBabel::OBBond >::difference_type i,std::vector< OpenBabel::OBBond >::difference_type j){
3037       swig::delslice(self, i, j);
3038     }
std_vector_Sl_OpenBabel_OBBond_Sg____delitem__(std::vector<OpenBabel::OBBond> * self,std::vector<OpenBabel::OBBond>::difference_type i)3039 SWIGINTERN void std_vector_Sl_OpenBabel_OBBond_Sg____delitem__(std::vector< OpenBabel::OBBond > *self,std::vector< OpenBabel::OBBond >::difference_type i){
3040       self->erase(swig::getpos(self,i));
3041     }
std_vector_Sl_OpenBabel_OBBond_Sg____getitem__(std::vector<OpenBabel::OBBond> const * self,std::vector<OpenBabel::OBBond>::difference_type i)3042 SWIGINTERN std::vector< OpenBabel::OBBond >::value_type const &std_vector_Sl_OpenBabel_OBBond_Sg____getitem__(std::vector< OpenBabel::OBBond > const *self,std::vector< OpenBabel::OBBond >::difference_type i){
3043       return *(swig::cgetpos(self, i));
3044     }
std_vector_Sl_OpenBabel_OBBond_Sg____setitem__(std::vector<OpenBabel::OBBond> * self,std::vector<OpenBabel::OBBond>::difference_type i,std::vector<OpenBabel::OBBond>::value_type const & x)3045 SWIGINTERN void std_vector_Sl_OpenBabel_OBBond_Sg____setitem__(std::vector< OpenBabel::OBBond > *self,std::vector< OpenBabel::OBBond >::difference_type i,std::vector< OpenBabel::OBBond >::value_type const &x){
3046       *(swig::getpos(self,i)) = x;
3047     }
3048 
3049   namespace swig {
3050     template <>  struct traits<OpenBabel::OBResidue > {
3051       typedef pointer_category category;
type_nameswig::traits3052       static const char* type_name() { return"OpenBabel::OBResidue"; }
3053     };
3054   }
3055 
3056 
3057       namespace swig {
3058 	template <>  struct traits<std::vector<OpenBabel::OBResidue, std::allocator< OpenBabel::OBResidue > > > {
3059 	  typedef pointer_category category;
type_nameswig::traits3060 	  static const char* type_name() {
3061 	    return "std::vector<" "OpenBabel::OBResidue" "," "std::allocator< OpenBabel::OBResidue >" " >";
3062 	  }
3063 	};
3064       }
3065 
std_vector_Sl_OpenBabel_OBResidue_Sg____nonzero__(std::vector<OpenBabel::OBResidue> const * self)3066 SWIGINTERN bool std_vector_Sl_OpenBabel_OBResidue_Sg____nonzero__(std::vector< OpenBabel::OBResidue > const *self){
3067       return !(self->empty());
3068     }
std_vector_Sl_OpenBabel_OBResidue_Sg____len__(std::vector<OpenBabel::OBResidue> const * self)3069 SWIGINTERN std::vector< OpenBabel::OBResidue >::size_type std_vector_Sl_OpenBabel_OBResidue_Sg____len__(std::vector< OpenBabel::OBResidue > const *self){
3070       return self->size();
3071     }
std_vector_Sl_OpenBabel_OBResidue_Sg____getslice__(std::vector<OpenBabel::OBResidue> * self,std::vector<OpenBabel::OBResidue>::difference_type i,std::vector<OpenBabel::OBResidue>::difference_type j)3072 SWIGINTERN std::vector< OpenBabel::OBResidue,std::allocator< OpenBabel::OBResidue > > *std_vector_Sl_OpenBabel_OBResidue_Sg____getslice__(std::vector< OpenBabel::OBResidue > *self,std::vector< OpenBabel::OBResidue >::difference_type i,std::vector< OpenBabel::OBResidue >::difference_type j){
3073       return swig::getslice(self, i, j);
3074     }
std_vector_Sl_OpenBabel_OBResidue_Sg____setslice__(std::vector<OpenBabel::OBResidue> * self,std::vector<OpenBabel::OBResidue>::difference_type i,std::vector<OpenBabel::OBResidue>::difference_type j,std::vector<OpenBabel::OBResidue,std::allocator<OpenBabel::OBResidue>> const & v)3075 SWIGINTERN void std_vector_Sl_OpenBabel_OBResidue_Sg____setslice__(std::vector< OpenBabel::OBResidue > *self,std::vector< OpenBabel::OBResidue >::difference_type i,std::vector< OpenBabel::OBResidue >::difference_type j,std::vector< OpenBabel::OBResidue,std::allocator< OpenBabel::OBResidue > > const &v){
3076       swig::setslice(self, i, j, v);
3077     }
std_vector_Sl_OpenBabel_OBResidue_Sg____delslice__(std::vector<OpenBabel::OBResidue> * self,std::vector<OpenBabel::OBResidue>::difference_type i,std::vector<OpenBabel::OBResidue>::difference_type j)3078 SWIGINTERN void std_vector_Sl_OpenBabel_OBResidue_Sg____delslice__(std::vector< OpenBabel::OBResidue > *self,std::vector< OpenBabel::OBResidue >::difference_type i,std::vector< OpenBabel::OBResidue >::difference_type j){
3079       swig::delslice(self, i, j);
3080     }
std_vector_Sl_OpenBabel_OBResidue_Sg____delitem__(std::vector<OpenBabel::OBResidue> * self,std::vector<OpenBabel::OBResidue>::difference_type i)3081 SWIGINTERN void std_vector_Sl_OpenBabel_OBResidue_Sg____delitem__(std::vector< OpenBabel::OBResidue > *self,std::vector< OpenBabel::OBResidue >::difference_type i){
3082       self->erase(swig::getpos(self,i));
3083     }
std_vector_Sl_OpenBabel_OBResidue_Sg____getitem__(std::vector<OpenBabel::OBResidue> const * self,std::vector<OpenBabel::OBResidue>::difference_type i)3084 SWIGINTERN std::vector< OpenBabel::OBResidue >::value_type const &std_vector_Sl_OpenBabel_OBResidue_Sg____getitem__(std::vector< OpenBabel::OBResidue > const *self,std::vector< OpenBabel::OBResidue >::difference_type i){
3085       return *(swig::cgetpos(self, i));
3086     }
std_vector_Sl_OpenBabel_OBResidue_Sg____setitem__(std::vector<OpenBabel::OBResidue> * self,std::vector<OpenBabel::OBResidue>::difference_type i,std::vector<OpenBabel::OBResidue>::value_type const & x)3087 SWIGINTERN void std_vector_Sl_OpenBabel_OBResidue_Sg____setitem__(std::vector< OpenBabel::OBResidue > *self,std::vector< OpenBabel::OBResidue >::difference_type i,std::vector< OpenBabel::OBResidue >::value_type const &x){
3088       *(swig::getpos(self,i)) = x;
3089     }
3090 
3091   namespace swig {
3092     template <>  struct traits<OpenBabel::OBRing > {
3093       typedef pointer_category category;
type_nameswig::traits3094       static const char* type_name() { return"OpenBabel::OBRing"; }
3095     };
3096   }
3097 
3098 
3099       namespace swig {
3100 	template <>  struct traits<std::vector<OpenBabel::OBRing, std::allocator< OpenBabel::OBRing > > > {
3101 	  typedef pointer_category category;
type_nameswig::traits3102 	  static const char* type_name() {
3103 	    return "std::vector<" "OpenBabel::OBRing" "," "std::allocator< OpenBabel::OBRing >" " >";
3104 	  }
3105 	};
3106       }
3107 
std_vector_Sl_OpenBabel_OBRing_Sg____nonzero__(std::vector<OpenBabel::OBRing> const * self)3108 SWIGINTERN bool std_vector_Sl_OpenBabel_OBRing_Sg____nonzero__(std::vector< OpenBabel::OBRing > const *self){
3109       return !(self->empty());
3110     }
std_vector_Sl_OpenBabel_OBRing_Sg____len__(std::vector<OpenBabel::OBRing> const * self)3111 SWIGINTERN std::vector< OpenBabel::OBRing >::size_type std_vector_Sl_OpenBabel_OBRing_Sg____len__(std::vector< OpenBabel::OBRing > const *self){
3112       return self->size();
3113     }
std_vector_Sl_OpenBabel_OBRing_Sg____getslice__(std::vector<OpenBabel::OBRing> * self,std::vector<OpenBabel::OBRing>::difference_type i,std::vector<OpenBabel::OBRing>::difference_type j)3114 SWIGINTERN std::vector< OpenBabel::OBRing,std::allocator< OpenBabel::OBRing > > *std_vector_Sl_OpenBabel_OBRing_Sg____getslice__(std::vector< OpenBabel::OBRing > *self,std::vector< OpenBabel::OBRing >::difference_type i,std::vector< OpenBabel::OBRing >::difference_type j){
3115       return swig::getslice(self, i, j);
3116     }
std_vector_Sl_OpenBabel_OBRing_Sg____setslice__(std::vector<OpenBabel::OBRing> * self,std::vector<OpenBabel::OBRing>::difference_type i,std::vector<OpenBabel::OBRing>::difference_type j,std::vector<OpenBabel::OBRing,std::allocator<OpenBabel::OBRing>> const & v)3117 SWIGINTERN void std_vector_Sl_OpenBabel_OBRing_Sg____setslice__(std::vector< OpenBabel::OBRing > *self,std::vector< OpenBabel::OBRing >::difference_type i,std::vector< OpenBabel::OBRing >::difference_type j,std::vector< OpenBabel::OBRing,std::allocator< OpenBabel::OBRing > > const &v){
3118       swig::setslice(self, i, j, v);
3119     }
std_vector_Sl_OpenBabel_OBRing_Sg____delslice__(std::vector<OpenBabel::OBRing> * self,std::vector<OpenBabel::OBRing>::difference_type i,std::vector<OpenBabel::OBRing>::difference_type j)3120 SWIGINTERN void std_vector_Sl_OpenBabel_OBRing_Sg____delslice__(std::vector< OpenBabel::OBRing > *self,std::vector< OpenBabel::OBRing >::difference_type i,std::vector< OpenBabel::OBRing >::difference_type j){
3121       swig::delslice(self, i, j);
3122     }
std_vector_Sl_OpenBabel_OBRing_Sg____delitem__(std::vector<OpenBabel::OBRing> * self,std::vector<OpenBabel::OBRing>::difference_type i)3123 SWIGINTERN void std_vector_Sl_OpenBabel_OBRing_Sg____delitem__(std::vector< OpenBabel::OBRing > *self,std::vector< OpenBabel::OBRing >::difference_type i){
3124       self->erase(swig::getpos(self,i));
3125     }
std_vector_Sl_OpenBabel_OBRing_Sg____getitem__(std::vector<OpenBabel::OBRing> const * self,std::vector<OpenBabel::OBRing>::difference_type i)3126 SWIGINTERN std::vector< OpenBabel::OBRing >::value_type const &std_vector_Sl_OpenBabel_OBRing_Sg____getitem__(std::vector< OpenBabel::OBRing > const *self,std::vector< OpenBabel::OBRing >::difference_type i){
3127       return *(swig::cgetpos(self, i));
3128     }
std_vector_Sl_OpenBabel_OBRing_Sg____setitem__(std::vector<OpenBabel::OBRing> * self,std::vector<OpenBabel::OBRing>::difference_type i,std::vector<OpenBabel::OBRing>::value_type const & x)3129 SWIGINTERN void std_vector_Sl_OpenBabel_OBRing_Sg____setitem__(std::vector< OpenBabel::OBRing > *self,std::vector< OpenBabel::OBRing >::difference_type i,std::vector< OpenBabel::OBRing >::value_type const &x){
3130       *(swig::getpos(self,i)) = x;
3131     }
3132 
3133       namespace swig {
3134 	template <>  struct traits<std::vector<OpenBabel::OBRing*, std::allocator< OpenBabel::OBRing * > > > {
3135 	  typedef value_category category;
type_nameswig::traits3136 	  static const char* type_name() {
3137 	    return "std::vector<" "OpenBabel::OBRing" " *," "std::allocator< OpenBabel::OBRing * >" " >";
3138 	  }
3139 	};
3140       }
3141 
std_vector_Sl_OpenBabel_OBRing_Sm__Sg____nonzero__(std::vector<OpenBabel::OBRing * > const * self)3142 SWIGINTERN bool std_vector_Sl_OpenBabel_OBRing_Sm__Sg____nonzero__(std::vector< OpenBabel::OBRing * > const *self){
3143       return !(self->empty());
3144     }
std_vector_Sl_OpenBabel_OBRing_Sm__Sg____len__(std::vector<OpenBabel::OBRing * > const * self)3145 SWIGINTERN std::vector< OpenBabel::OBRing * >::size_type std_vector_Sl_OpenBabel_OBRing_Sm__Sg____len__(std::vector< OpenBabel::OBRing * > const *self){
3146       return self->size();
3147     }
std_vector_Sl_OpenBabel_OBRing_Sm__Sg____getslice__(std::vector<OpenBabel::OBRing * > * self,std::vector<OpenBabel::OBRing * >::difference_type i,std::vector<OpenBabel::OBRing * >::difference_type j)3148 SWIGINTERN std::vector< OpenBabel::OBRing *,std::allocator< OpenBabel::OBRing * > > *std_vector_Sl_OpenBabel_OBRing_Sm__Sg____getslice__(std::vector< OpenBabel::OBRing * > *self,std::vector< OpenBabel::OBRing * >::difference_type i,std::vector< OpenBabel::OBRing * >::difference_type j){
3149       return swig::getslice(self, i, j);
3150     }
std_vector_Sl_OpenBabel_OBRing_Sm__Sg____setslice__(std::vector<OpenBabel::OBRing * > * self,std::vector<OpenBabel::OBRing * >::difference_type i,std::vector<OpenBabel::OBRing * >::difference_type j,std::vector<OpenBabel::OBRing *,std::allocator<OpenBabel::OBRing * >> const & v)3151 SWIGINTERN void std_vector_Sl_OpenBabel_OBRing_Sm__Sg____setslice__(std::vector< OpenBabel::OBRing * > *self,std::vector< OpenBabel::OBRing * >::difference_type i,std::vector< OpenBabel::OBRing * >::difference_type j,std::vector< OpenBabel::OBRing *,std::allocator< OpenBabel::OBRing * > > const &v){
3152       swig::setslice(self, i, j, v);
3153     }
std_vector_Sl_OpenBabel_OBRing_Sm__Sg____delslice__(std::vector<OpenBabel::OBRing * > * self,std::vector<OpenBabel::OBRing * >::difference_type i,std::vector<OpenBabel::OBRing * >::difference_type j)3154 SWIGINTERN void std_vector_Sl_OpenBabel_OBRing_Sm__Sg____delslice__(std::vector< OpenBabel::OBRing * > *self,std::vector< OpenBabel::OBRing * >::difference_type i,std::vector< OpenBabel::OBRing * >::difference_type j){
3155       swig::delslice(self, i, j);
3156     }
std_vector_Sl_OpenBabel_OBRing_Sm__Sg____delitem__(std::vector<OpenBabel::OBRing * > * self,std::vector<OpenBabel::OBRing * >::difference_type i)3157 SWIGINTERN void std_vector_Sl_OpenBabel_OBRing_Sm__Sg____delitem__(std::vector< OpenBabel::OBRing * > *self,std::vector< OpenBabel::OBRing * >::difference_type i){
3158       self->erase(swig::getpos(self,i));
3159     }
std_vector_Sl_OpenBabel_OBRing_Sm__Sg____getitem__(std::vector<OpenBabel::OBRing * > * self,std::vector<OpenBabel::OBRing * >::difference_type i)3160 SWIGINTERN std::vector< OpenBabel::OBRing * >::value_type std_vector_Sl_OpenBabel_OBRing_Sm__Sg____getitem__(std::vector< OpenBabel::OBRing * > *self,std::vector< OpenBabel::OBRing * >::difference_type i){
3161       return *(swig::cgetpos(self, i));
3162     }
std_vector_Sl_OpenBabel_OBRing_Sm__Sg____setitem__(std::vector<OpenBabel::OBRing * > * self,std::vector<OpenBabel::OBRing * >::difference_type i,std::vector<OpenBabel::OBRing * >::value_type x)3163 SWIGINTERN void std_vector_Sl_OpenBabel_OBRing_Sm__Sg____setitem__(std::vector< OpenBabel::OBRing * > *self,std::vector< OpenBabel::OBRing * >::difference_type i,std::vector< OpenBabel::OBRing * >::value_type x){
3164       *(swig::getpos(self,i)) = x;
3165     }
3166 
3167   namespace swig {
3168     template <>  struct traits<OpenBabel::OBGenericData > {
3169       typedef pointer_category category;
type_nameswig::traits3170       static const char* type_name() { return"OpenBabel::OBGenericData"; }
3171     };
3172   }
3173 
3174 
3175       namespace swig {
3176 	template <>  struct traits<std::vector<OpenBabel::OBGenericData*, std::allocator< OpenBabel::OBGenericData * > > > {
3177 	  typedef value_category category;
type_nameswig::traits3178 	  static const char* type_name() {
3179 	    return "std::vector<" "OpenBabel::OBGenericData" " *," "std::allocator< OpenBabel::OBGenericData * >" " >";
3180 	  }
3181 	};
3182       }
3183 
std_vector_Sl_OpenBabel_OBGenericData_Sm__Sg____nonzero__(std::vector<OpenBabel::OBGenericData * > const * self)3184 SWIGINTERN bool std_vector_Sl_OpenBabel_OBGenericData_Sm__Sg____nonzero__(std::vector< OpenBabel::OBGenericData * > const *self){
3185       return !(self->empty());
3186     }
std_vector_Sl_OpenBabel_OBGenericData_Sm__Sg____len__(std::vector<OpenBabel::OBGenericData * > const * self)3187 SWIGINTERN std::vector< OpenBabel::OBGenericData * >::size_type std_vector_Sl_OpenBabel_OBGenericData_Sm__Sg____len__(std::vector< OpenBabel::OBGenericData * > const *self){
3188       return self->size();
3189     }
std_vector_Sl_OpenBabel_OBGenericData_Sm__Sg____getslice__(std::vector<OpenBabel::OBGenericData * > * self,std::vector<OpenBabel::OBGenericData * >::difference_type i,std::vector<OpenBabel::OBGenericData * >::difference_type j)3190 SWIGINTERN std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > *std_vector_Sl_OpenBabel_OBGenericData_Sm__Sg____getslice__(std::vector< OpenBabel::OBGenericData * > *self,std::vector< OpenBabel::OBGenericData * >::difference_type i,std::vector< OpenBabel::OBGenericData * >::difference_type j){
3191       return swig::getslice(self, i, j);
3192     }
std_vector_Sl_OpenBabel_OBGenericData_Sm__Sg____setslice__(std::vector<OpenBabel::OBGenericData * > * self,std::vector<OpenBabel::OBGenericData * >::difference_type i,std::vector<OpenBabel::OBGenericData * >::difference_type j,std::vector<OpenBabel::OBGenericData *,std::allocator<OpenBabel::OBGenericData * >> const & v)3193 SWIGINTERN void std_vector_Sl_OpenBabel_OBGenericData_Sm__Sg____setslice__(std::vector< OpenBabel::OBGenericData * > *self,std::vector< OpenBabel::OBGenericData * >::difference_type i,std::vector< OpenBabel::OBGenericData * >::difference_type j,std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > const &v){
3194       swig::setslice(self, i, j, v);
3195     }
std_vector_Sl_OpenBabel_OBGenericData_Sm__Sg____delslice__(std::vector<OpenBabel::OBGenericData * > * self,std::vector<OpenBabel::OBGenericData * >::difference_type i,std::vector<OpenBabel::OBGenericData * >::difference_type j)3196 SWIGINTERN void std_vector_Sl_OpenBabel_OBGenericData_Sm__Sg____delslice__(std::vector< OpenBabel::OBGenericData * > *self,std::vector< OpenBabel::OBGenericData * >::difference_type i,std::vector< OpenBabel::OBGenericData * >::difference_type j){
3197       swig::delslice(self, i, j);
3198     }
std_vector_Sl_OpenBabel_OBGenericData_Sm__Sg____delitem__(std::vector<OpenBabel::OBGenericData * > * self,std::vector<OpenBabel::OBGenericData * >::difference_type i)3199 SWIGINTERN void std_vector_Sl_OpenBabel_OBGenericData_Sm__Sg____delitem__(std::vector< OpenBabel::OBGenericData * > *self,std::vector< OpenBabel::OBGenericData * >::difference_type i){
3200       self->erase(swig::getpos(self,i));
3201     }
std_vector_Sl_OpenBabel_OBGenericData_Sm__Sg____getitem__(std::vector<OpenBabel::OBGenericData * > * self,std::vector<OpenBabel::OBGenericData * >::difference_type i)3202 SWIGINTERN std::vector< OpenBabel::OBGenericData * >::value_type std_vector_Sl_OpenBabel_OBGenericData_Sm__Sg____getitem__(std::vector< OpenBabel::OBGenericData * > *self,std::vector< OpenBabel::OBGenericData * >::difference_type i){
3203       return *(swig::cgetpos(self, i));
3204     }
std_vector_Sl_OpenBabel_OBGenericData_Sm__Sg____setitem__(std::vector<OpenBabel::OBGenericData * > * self,std::vector<OpenBabel::OBGenericData * >::difference_type i,std::vector<OpenBabel::OBGenericData * >::value_type x)3205 SWIGINTERN void std_vector_Sl_OpenBabel_OBGenericData_Sm__Sg____setitem__(std::vector< OpenBabel::OBGenericData * > *self,std::vector< OpenBabel::OBGenericData * >::difference_type i,std::vector< OpenBabel::OBGenericData * >::value_type x){
3206       *(swig::getpos(self,i)) = x;
3207     }
3208 
3209   namespace swig {
3210     template <>  struct traits<OpenBabel::OBInternalCoord > {
3211       typedef pointer_category category;
type_nameswig::traits3212       static const char* type_name() { return"OpenBabel::OBInternalCoord"; }
3213     };
3214   }
3215 
3216 
3217       namespace swig {
3218 	template <>  struct traits<std::vector<OpenBabel::OBInternalCoord*, std::allocator< OpenBabel::OBInternalCoord * > > > {
3219 	  typedef value_category category;
type_nameswig::traits3220 	  static const char* type_name() {
3221 	    return "std::vector<" "OpenBabel::OBInternalCoord" " *," "std::allocator< OpenBabel::OBInternalCoord * >" " >";
3222 	  }
3223 	};
3224       }
3225 
std_vector_Sl_OpenBabel_OBInternalCoord_Sm__Sg____nonzero__(std::vector<OpenBabel::OBInternalCoord * > const * self)3226 SWIGINTERN bool std_vector_Sl_OpenBabel_OBInternalCoord_Sm__Sg____nonzero__(std::vector< OpenBabel::OBInternalCoord * > const *self){
3227       return !(self->empty());
3228     }
std_vector_Sl_OpenBabel_OBInternalCoord_Sm__Sg____len__(std::vector<OpenBabel::OBInternalCoord * > const * self)3229 SWIGINTERN std::vector< OpenBabel::OBInternalCoord * >::size_type std_vector_Sl_OpenBabel_OBInternalCoord_Sm__Sg____len__(std::vector< OpenBabel::OBInternalCoord * > const *self){
3230       return self->size();
3231     }
std_vector_Sl_OpenBabel_OBInternalCoord_Sm__Sg____getslice__(std::vector<OpenBabel::OBInternalCoord * > * self,std::vector<OpenBabel::OBInternalCoord * >::difference_type i,std::vector<OpenBabel::OBInternalCoord * >::difference_type j)3232 SWIGINTERN std::vector< OpenBabel::OBInternalCoord *,std::allocator< OpenBabel::OBInternalCoord * > > *std_vector_Sl_OpenBabel_OBInternalCoord_Sm__Sg____getslice__(std::vector< OpenBabel::OBInternalCoord * > *self,std::vector< OpenBabel::OBInternalCoord * >::difference_type i,std::vector< OpenBabel::OBInternalCoord * >::difference_type j){
3233       return swig::getslice(self, i, j);
3234     }
std_vector_Sl_OpenBabel_OBInternalCoord_Sm__Sg____setslice__(std::vector<OpenBabel::OBInternalCoord * > * self,std::vector<OpenBabel::OBInternalCoord * >::difference_type i,std::vector<OpenBabel::OBInternalCoord * >::difference_type j,std::vector<OpenBabel::OBInternalCoord *,std::allocator<OpenBabel::OBInternalCoord * >> const & v)3235 SWIGINTERN void std_vector_Sl_OpenBabel_OBInternalCoord_Sm__Sg____setslice__(std::vector< OpenBabel::OBInternalCoord * > *self,std::vector< OpenBabel::OBInternalCoord * >::difference_type i,std::vector< OpenBabel::OBInternalCoord * >::difference_type j,std::vector< OpenBabel::OBInternalCoord *,std::allocator< OpenBabel::OBInternalCoord * > > const &v){
3236       swig::setslice(self, i, j, v);
3237     }
std_vector_Sl_OpenBabel_OBInternalCoord_Sm__Sg____delslice__(std::vector<OpenBabel::OBInternalCoord * > * self,std::vector<OpenBabel::OBInternalCoord * >::difference_type i,std::vector<OpenBabel::OBInternalCoord * >::difference_type j)3238 SWIGINTERN void std_vector_Sl_OpenBabel_OBInternalCoord_Sm__Sg____delslice__(std::vector< OpenBabel::OBInternalCoord * > *self,std::vector< OpenBabel::OBInternalCoord * >::difference_type i,std::vector< OpenBabel::OBInternalCoord * >::difference_type j){
3239       swig::delslice(self, i, j);
3240     }
std_vector_Sl_OpenBabel_OBInternalCoord_Sm__Sg____delitem__(std::vector<OpenBabel::OBInternalCoord * > * self,std::vector<OpenBabel::OBInternalCoord * >::difference_type i)3241 SWIGINTERN void std_vector_Sl_OpenBabel_OBInternalCoord_Sm__Sg____delitem__(std::vector< OpenBabel::OBInternalCoord * > *self,std::vector< OpenBabel::OBInternalCoord * >::difference_type i){
3242       self->erase(swig::getpos(self,i));
3243     }
std_vector_Sl_OpenBabel_OBInternalCoord_Sm__Sg____getitem__(std::vector<OpenBabel::OBInternalCoord * > * self,std::vector<OpenBabel::OBInternalCoord * >::difference_type i)3244 SWIGINTERN std::vector< OpenBabel::OBInternalCoord * >::value_type std_vector_Sl_OpenBabel_OBInternalCoord_Sm__Sg____getitem__(std::vector< OpenBabel::OBInternalCoord * > *self,std::vector< OpenBabel::OBInternalCoord * >::difference_type i){
3245       return *(swig::cgetpos(self, i));
3246     }
std_vector_Sl_OpenBabel_OBInternalCoord_Sm__Sg____setitem__(std::vector<OpenBabel::OBInternalCoord * > * self,std::vector<OpenBabel::OBInternalCoord * >::difference_type i,std::vector<OpenBabel::OBInternalCoord * >::value_type x)3247 SWIGINTERN void std_vector_Sl_OpenBabel_OBInternalCoord_Sm__Sg____setitem__(std::vector< OpenBabel::OBInternalCoord * > *self,std::vector< OpenBabel::OBInternalCoord * >::difference_type i,std::vector< OpenBabel::OBInternalCoord * >::value_type x){
3248       *(swig::getpos(self,i)) = x;
3249     }
3250 
3251 namespace swig {
3252   template <> struct traits<unsigned int > {
3253     typedef value_category category;
type_nameswig::traits3254     static const char* type_name() { return"unsigned int"; }
3255   };
3256   template <>  struct traits_asval<unsigned int > {
3257     typedef unsigned int value_type;
asvalswig::traits_asval3258     static int asval(SEXP obj, value_type *val) {
3259       return SWIG_AsVal_unsigned_SS_int (obj, val);
3260     }
3261   };
3262   template <>  struct traits_from<unsigned int > {
3263     typedef unsigned int value_type;
fromswig::traits_from3264     static SEXP from(const value_type& val) {
3265       return SWIG_From_unsigned_SS_int  (val);
3266     }
3267   };
3268 }
3269 
3270 
3271 
3272 
3273       namespace swig {
3274 	template <>  struct traits<std::pair<unsigned int,unsigned int > > {
3275 	  typedef pointer_category category;
type_nameswig::traits3276 	  static const char* type_name() {
3277 	    return "std::pair<" "unsigned int" "," "unsigned int" " >";
3278 	  }
3279 	};
3280       }
3281 
3282 
3283       namespace swig {
3284 	template <>  struct traits<std::vector<std::pair< unsigned int,unsigned int >, std::allocator< std::pair< unsigned int,unsigned int > > > > {
3285 	  typedef pointer_category category;
type_nameswig::traits3286 	  static const char* type_name() {
3287 	    return "std::vector<" "std::pair< unsigned int,unsigned int >" "," "std::allocator< std::pair< unsigned int,unsigned int > >" " >";
3288 	  }
3289 	};
3290       }
3291 
std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg____nonzero__(std::vector<std::pair<unsigned int,unsigned int>> const * self)3292 SWIGINTERN bool std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg____nonzero__(std::vector< std::pair< unsigned int,unsigned int > > const *self){
3293       return !(self->empty());
3294     }
std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg____len__(std::vector<std::pair<unsigned int,unsigned int>> const * self)3295 SWIGINTERN std::vector< std::pair< unsigned int,unsigned int > >::size_type std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg____len__(std::vector< std::pair< unsigned int,unsigned int > > const *self){
3296       return self->size();
3297     }
std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg____getslice__(std::vector<std::pair<unsigned int,unsigned int>> * self,std::vector<std::pair<unsigned int,unsigned int>>::difference_type i,std::vector<std::pair<unsigned int,unsigned int>>::difference_type j)3298 SWIGINTERN std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > *std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg____getslice__(std::vector< std::pair< unsigned int,unsigned int > > *self,std::vector< std::pair< unsigned int,unsigned int > >::difference_type i,std::vector< std::pair< unsigned int,unsigned int > >::difference_type j){
3299       return swig::getslice(self, i, j);
3300     }
std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg____setslice__(std::vector<std::pair<unsigned int,unsigned int>> * self,std::vector<std::pair<unsigned int,unsigned int>>::difference_type i,std::vector<std::pair<unsigned int,unsigned int>>::difference_type j,std::vector<std::pair<unsigned int,unsigned int>,std::allocator<std::pair<unsigned int,unsigned int>>> const & v)3301 SWIGINTERN void std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg____setslice__(std::vector< std::pair< unsigned int,unsigned int > > *self,std::vector< std::pair< unsigned int,unsigned int > >::difference_type i,std::vector< std::pair< unsigned int,unsigned int > >::difference_type j,std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > const &v){
3302       swig::setslice(self, i, j, v);
3303     }
std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg____delslice__(std::vector<std::pair<unsigned int,unsigned int>> * self,std::vector<std::pair<unsigned int,unsigned int>>::difference_type i,std::vector<std::pair<unsigned int,unsigned int>>::difference_type j)3304 SWIGINTERN void std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg____delslice__(std::vector< std::pair< unsigned int,unsigned int > > *self,std::vector< std::pair< unsigned int,unsigned int > >::difference_type i,std::vector< std::pair< unsigned int,unsigned int > >::difference_type j){
3305       swig::delslice(self, i, j);
3306     }
std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg____delitem__(std::vector<std::pair<unsigned int,unsigned int>> * self,std::vector<std::pair<unsigned int,unsigned int>>::difference_type i)3307 SWIGINTERN void std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg____delitem__(std::vector< std::pair< unsigned int,unsigned int > > *self,std::vector< std::pair< unsigned int,unsigned int > >::difference_type i){
3308       self->erase(swig::getpos(self,i));
3309     }
std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg____getitem__(std::vector<std::pair<unsigned int,unsigned int>> const * self,std::vector<std::pair<unsigned int,unsigned int>>::difference_type i)3310 SWIGINTERN std::vector< std::pair< unsigned int,unsigned int > >::value_type const &std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg____getitem__(std::vector< std::pair< unsigned int,unsigned int > > const *self,std::vector< std::pair< unsigned int,unsigned int > >::difference_type i){
3311       return *(swig::cgetpos(self, i));
3312     }
std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg____setitem__(std::vector<std::pair<unsigned int,unsigned int>> * self,std::vector<std::pair<unsigned int,unsigned int>>::difference_type i,std::vector<std::pair<unsigned int,unsigned int>>::value_type const & x)3313 SWIGINTERN void std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg____setitem__(std::vector< std::pair< unsigned int,unsigned int > > *self,std::vector< std::pair< unsigned int,unsigned int > >::difference_type i,std::vector< std::pair< unsigned int,unsigned int > >::value_type const &x){
3314       *(swig::getpos(self,i)) = x;
3315     }
3316 
3317       namespace swig {
3318 	template <>  struct traits<std::vector<std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > >, std::allocator< std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > > > > {
3319 	  typedef pointer_category category;
type_nameswig::traits3320 	  static const char* type_name() {
3321 	    return "std::vector<" "std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > >" "," "std::allocator< std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > >" " >";
3322 	  }
3323 	};
3324       }
3325 
std_vector_Sl_std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg__Sg____nonzero__(std::vector<std::vector<std::pair<unsigned int,unsigned int>>> const * self)3326 SWIGINTERN bool std_vector_Sl_std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg__Sg____nonzero__(std::vector< std::vector< std::pair< unsigned int,unsigned int > > > const *self){
3327       return !(self->empty());
3328     }
std_vector_Sl_std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg__Sg____len__(std::vector<std::vector<std::pair<unsigned int,unsigned int>>> const * self)3329 SWIGINTERN std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::size_type std_vector_Sl_std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg__Sg____len__(std::vector< std::vector< std::pair< unsigned int,unsigned int > > > const *self){
3330       return self->size();
3331     }
std_vector_Sl_std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg__Sg__pop(std::vector<std::vector<std::pair<unsigned int,unsigned int>>> * self)3332 SWIGINTERN std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::value_type std_vector_Sl_std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg__Sg__pop(std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *self){
3333       if (self->size() == 0)
3334 	throw std::out_of_range("pop from empty container");
3335       std::vector<std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > >,std::allocator< std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > > >::value_type x = self->back();
3336       self->pop_back();
3337       return x;
3338     }
std_vector_Sl_std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg__Sg____getslice__(std::vector<std::vector<std::pair<unsigned int,unsigned int>>> * self,std::vector<std::vector<std::pair<unsigned int,unsigned int>>>::difference_type i,std::vector<std::vector<std::pair<unsigned int,unsigned int>>>::difference_type j)3339 SWIGINTERN std::vector< std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > >,std::allocator< std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > > > *std_vector_Sl_std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg__Sg____getslice__(std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *self,std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::difference_type i,std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::difference_type j){
3340       return swig::getslice(self, i, j);
3341     }
std_vector_Sl_std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg__Sg____setslice__(std::vector<std::vector<std::pair<unsigned int,unsigned int>>> * self,std::vector<std::vector<std::pair<unsigned int,unsigned int>>>::difference_type i,std::vector<std::vector<std::pair<unsigned int,unsigned int>>>::difference_type j,std::vector<std::vector<std::pair<unsigned int,unsigned int>,std::allocator<std::pair<unsigned int,unsigned int>>>,std::allocator<std::vector<std::pair<unsigned int,unsigned int>,std::allocator<std::pair<unsigned int,unsigned int>>>>> const & v)3342 SWIGINTERN void std_vector_Sl_std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg__Sg____setslice__(std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *self,std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::difference_type i,std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::difference_type j,std::vector< std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > >,std::allocator< std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > > > const &v){
3343       swig::setslice(self, i, j, v);
3344     }
std_vector_Sl_std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg__Sg____delslice__(std::vector<std::vector<std::pair<unsigned int,unsigned int>>> * self,std::vector<std::vector<std::pair<unsigned int,unsigned int>>>::difference_type i,std::vector<std::vector<std::pair<unsigned int,unsigned int>>>::difference_type j)3345 SWIGINTERN void std_vector_Sl_std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg__Sg____delslice__(std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *self,std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::difference_type i,std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::difference_type j){
3346       swig::delslice(self, i, j);
3347     }
std_vector_Sl_std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg__Sg____delitem__(std::vector<std::vector<std::pair<unsigned int,unsigned int>>> * self,std::vector<std::vector<std::pair<unsigned int,unsigned int>>>::difference_type i)3348 SWIGINTERN void std_vector_Sl_std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg__Sg____delitem__(std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *self,std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::difference_type i){
3349       self->erase(swig::getpos(self,i));
3350     }
std_vector_Sl_std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg__Sg____getitem__(std::vector<std::vector<std::pair<unsigned int,unsigned int>>> const * self,std::vector<std::vector<std::pair<unsigned int,unsigned int>>>::difference_type i)3351 SWIGINTERN std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::value_type const &std_vector_Sl_std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg__Sg____getitem__(std::vector< std::vector< std::pair< unsigned int,unsigned int > > > const *self,std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::difference_type i){
3352       return *(swig::cgetpos(self, i));
3353     }
std_vector_Sl_std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg__Sg____setitem__(std::vector<std::vector<std::pair<unsigned int,unsigned int>>> * self,std::vector<std::vector<std::pair<unsigned int,unsigned int>>>::difference_type i,std::vector<std::vector<std::pair<unsigned int,unsigned int>>>::value_type const & x)3354 SWIGINTERN void std_vector_Sl_std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg__Sg____setitem__(std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *self,std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::difference_type i,std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::value_type const &x){
3355       *(swig::getpos(self,i)) = x;
3356     }
std_vector_Sl_std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg__Sg__append(std::vector<std::vector<std::pair<unsigned int,unsigned int>>> * self,std::vector<std::vector<std::pair<unsigned int,unsigned int>>>::value_type const & x)3357 SWIGINTERN void std_vector_Sl_std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg__Sg__append(std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *self,std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::value_type const &x){
3358       self->push_back(x);
3359     }
3360  // cant use macro -- AliasData not OBAliasData
toAliasData(OpenBabel::OBGenericData * data)3361 OpenBabel::AliasData *toAliasData(OpenBabel::OBGenericData *data) {
3362     return (OpenBabel::AliasData*) data;
3363 }
3364 
3365 
toAngleData(OpenBabel::OBGenericData * data)3366 OpenBabel::OBAngleData *toAngleData(OpenBabel::OBGenericData *data) {
3367     return (OpenBabel::OBAngleData *) data;
3368 }
3369 
3370 
toAtomClassData(OpenBabel::OBGenericData * data)3371 OpenBabel::OBAtomClassData *toAtomClassData(OpenBabel::OBGenericData *data) {
3372     return (OpenBabel::OBAtomClassData *) data;
3373 }
3374 
3375 
toChiralData(OpenBabel::OBGenericData * data)3376 OpenBabel::OBChiralData *toChiralData(OpenBabel::OBGenericData *data) {
3377     return (OpenBabel::OBChiralData *) data;
3378 }
3379 
3380 
toCommentData(OpenBabel::OBGenericData * data)3381 OpenBabel::OBCommentData *toCommentData(OpenBabel::OBGenericData *data) {
3382     return (OpenBabel::OBCommentData *) data;
3383 }
3384 
3385 
toConformerData(OpenBabel::OBGenericData * data)3386 OpenBabel::OBConformerData *toConformerData(OpenBabel::OBGenericData *data) {
3387     return (OpenBabel::OBConformerData *) data;
3388 }
3389 
3390 
toExternalBondData(OpenBabel::OBGenericData * data)3391 OpenBabel::OBExternalBondData *toExternalBondData(OpenBabel::OBGenericData *data) {
3392     return (OpenBabel::OBExternalBondData *) data;
3393 }
3394 
3395 
toGridData(OpenBabel::OBGenericData * data)3396 OpenBabel::OBGridData *toGridData(OpenBabel::OBGenericData *data) {
3397     return (OpenBabel::OBGridData *) data;
3398 }
3399 
3400 
toMatrixData(OpenBabel::OBGenericData * data)3401 OpenBabel::OBMatrixData *toMatrixData(OpenBabel::OBGenericData *data) {
3402     return (OpenBabel::OBMatrixData *) data;
3403 }
3404 
3405 
toNasaThermoData(OpenBabel::OBGenericData * data)3406 OpenBabel::OBNasaThermoData *toNasaThermoData(OpenBabel::OBGenericData *data) {
3407     return (OpenBabel::OBNasaThermoData *) data;
3408 }
3409 
3410 
toPairData(OpenBabel::OBGenericData * data)3411 OpenBabel::OBPairData *toPairData(OpenBabel::OBGenericData *data) {
3412     return (OpenBabel::OBPairData *) data;
3413 }
3414 
3415 
toRateData(OpenBabel::OBGenericData * data)3416 OpenBabel::OBRateData *toRateData(OpenBabel::OBGenericData *data) {
3417     return (OpenBabel::OBRateData *) data;
3418 }
3419 
3420 
toRotamerList(OpenBabel::OBGenericData * data)3421 OpenBabel::OBRotamerList *toRotamerList(OpenBabel::OBGenericData *data) {
3422     return (OpenBabel::OBRotamerList *) data;
3423 }
3424 
3425 
toRotationData(OpenBabel::OBGenericData * data)3426 OpenBabel::OBRotationData *toRotationData(OpenBabel::OBGenericData *data) {
3427     return (OpenBabel::OBRotationData *) data;
3428 }
3429 
3430 
toSerialNums(OpenBabel::OBGenericData * data)3431 OpenBabel::OBSerialNums *toSerialNums(OpenBabel::OBGenericData *data) {
3432     return (OpenBabel::OBSerialNums *) data;
3433 }
3434 
3435 
toSetData(OpenBabel::OBGenericData * data)3436 OpenBabel::OBSetData *toSetData(OpenBabel::OBGenericData *data) {
3437     return (OpenBabel::OBSetData *) data;
3438 }
3439 
3440 
toSymmetryData(OpenBabel::OBGenericData * data)3441 OpenBabel::OBSymmetryData *toSymmetryData(OpenBabel::OBGenericData *data) {
3442     return (OpenBabel::OBSymmetryData *) data;
3443 }
3444 
3445 
toTorsionData(OpenBabel::OBGenericData * data)3446 OpenBabel::OBTorsionData *toTorsionData(OpenBabel::OBGenericData *data) {
3447     return (OpenBabel::OBTorsionData *) data;
3448 }
3449 
3450 
toUnitCell(OpenBabel::OBGenericData * data)3451 OpenBabel::OBUnitCell *toUnitCell(OpenBabel::OBGenericData *data) {
3452     return (OpenBabel::OBUnitCell *) data;
3453 }
3454 
3455 
toVectorData(OpenBabel::OBGenericData * data)3456 OpenBabel::OBVectorData *toVectorData(OpenBabel::OBGenericData *data) {
3457     return (OpenBabel::OBVectorData *) data;
3458 }
3459 
3460 
toVibrationData(OpenBabel::OBGenericData * data)3461 OpenBabel::OBVibrationData *toVibrationData(OpenBabel::OBGenericData *data) {
3462     return (OpenBabel::OBVibrationData *) data;
3463 }
3464 
3465 
toVirtualBond(OpenBabel::OBGenericData * data)3466 OpenBabel::OBVirtualBond *toVirtualBond(OpenBabel::OBGenericData *data) {
3467     return (OpenBabel::OBVirtualBond *) data;
3468 }
3469 
3470 
3471 SWIGINTERN char *
SWIG_strdup(const char * str)3472 SWIG_strdup(const char *str)
3473 {
3474   char *newstr = reinterpret_cast< char * >(malloc(strlen(str) + 1));
3475   return strcpy(newstr, str);
3476 }
3477 
3478 
3479 SWIGINTERNINLINE SEXP
SWIG_FromCharPtr(const char * cptr)3480 SWIG_FromCharPtr(const char *cptr)
3481 {
3482   return SWIG_FromCharPtrAndSize(cptr, (cptr ? strlen(cptr) : 0));
3483 }
3484 
3485 
3486 SWIGINTERN int
SWIG_AsCharArray(SEXP obj,char * val,size_t size)3487 SWIG_AsCharArray(SEXP obj, char *val, size_t size)
3488 {
3489   char* cptr = 0; size_t csize = 0; int alloc = SWIG_OLDOBJ;
3490   int res = SWIG_AsCharPtrAndSize(obj, &cptr, &csize, &alloc);
3491   if (SWIG_IsOK(res)) {
3492     if ((csize == size + 1) && cptr && !(cptr[csize-1])) --csize;
3493     if (csize <= size) {
3494       if (val) {
3495 	if (csize) memcpy(val, cptr, csize*sizeof(char));
3496 	if (csize < size) memset(val + csize, 0, (size - csize)*sizeof(char));
3497       }
3498       if (alloc == SWIG_NEWOBJ) {
3499 	delete[] cptr;
3500 	res = SWIG_DelNewMask(res);
3501       }
3502       return res;
3503     }
3504     if (alloc == SWIG_NEWOBJ) delete[] cptr;
3505   }
3506   return SWIG_TypeError;
3507 }
3508 
3509 
3510 SWIGINTERN int
SWIG_AsVal_char(SEXP obj,char * val)3511 SWIG_AsVal_char (SEXP obj, char *val)
3512 {
3513   int res = SWIG_AsCharArray(obj, val, 1);
3514   if (!SWIG_IsOK(res)) {
3515     long v;
3516     res = SWIG_AddCast(SWIG_AsVal_long (obj, &v));
3517     if (SWIG_IsOK(res)) {
3518       if ((CHAR_MIN <= v) && (v <= CHAR_MAX)) {
3519 	if (val) *val = static_cast< char >(v);
3520       } else {
3521 	res = SWIG_OverflowError;
3522       }
3523     }
3524   }
3525   return res;
3526 }
3527 
OpenBabel_OBTetrahedralStereo_SetConfig(OpenBabel::OBTetrahedralStereo * self,OpenBabel::OBTetrahedralConfig const & config)3528 SWIGINTERN void OpenBabel_OBTetrahedralStereo_SetConfig(OpenBabel::OBTetrahedralStereo *self,OpenBabel::OBTetrahedralConfig const &config){
3529     self->SetConfig(OpenBabel::OBTetrahedralConfig::Convert(config));
3530   }
OpenBabel_OBTetrahedralStereo_GetConfig__SWIG_0(OpenBabel::OBTetrahedralStereo * self,OpenBabel::OBStereo::Winding winding=OpenBabel::OBStereo::Clockwise,OpenBabel::OBStereo::View view=OpenBabel::OBStereo::ViewFrom)3531 SWIGINTERN OpenBabel::OBTetrahedralConfig OpenBabel_OBTetrahedralStereo_GetConfig__SWIG_0(OpenBabel::OBTetrahedralStereo *self,OpenBabel::OBStereo::Winding winding=OpenBabel::OBStereo::Clockwise,OpenBabel::OBStereo::View view=OpenBabel::OBStereo::ViewFrom){
3532     OpenBabel::OBTetrahedralStereo::Config cConfig = self->GetConfig(winding, view);
3533 
3534     OpenBabel::OBTetrahedralConfig pyConfig;
3535     pyConfig.center = cConfig.center;
3536     pyConfig.from_or_towards = cConfig.from;
3537     pyConfig.refs = cConfig.refs;
3538     pyConfig.winding = cConfig.winding;
3539     pyConfig.view = cConfig.view;
3540     pyConfig.specified = cConfig.specified;
3541 
3542     return pyConfig;
3543   }
OpenBabel_OBTetrahedralStereo_GetConfig__SWIG_3(OpenBabel::OBTetrahedralStereo * self,unsigned long from_or_towards,OpenBabel::OBStereo::Winding winding=OpenBabel::OBStereo::Clockwise,OpenBabel::OBStereo::View view=OpenBabel::OBStereo::ViewFrom)3544 SWIGINTERN OpenBabel::OBTetrahedralConfig OpenBabel_OBTetrahedralStereo_GetConfig__SWIG_3(OpenBabel::OBTetrahedralStereo *self,unsigned long from_or_towards,OpenBabel::OBStereo::Winding winding=OpenBabel::OBStereo::Clockwise,OpenBabel::OBStereo::View view=OpenBabel::OBStereo::ViewFrom){
3545     OpenBabel::OBTetrahedralStereo::Config cConfig = self->GetConfig(from_or_towards, winding, view);
3546 
3547     OpenBabel::OBTetrahedralConfig pyConfig;
3548     pyConfig.center = cConfig.center;
3549     pyConfig.from_or_towards = cConfig.from;
3550     pyConfig.refs = cConfig.refs;
3551     pyConfig.winding = cConfig.winding;
3552     pyConfig.view = cConfig.view;
3553     pyConfig.specified = cConfig.specified;
3554 
3555     return pyConfig;
3556   }
OpenBabel_OBCisTransStereo_SetConfig(OpenBabel::OBCisTransStereo * self,OpenBabel::OBCisTransConfig const & config)3557 SWIGINTERN void OpenBabel_OBCisTransStereo_SetConfig(OpenBabel::OBCisTransStereo *self,OpenBabel::OBCisTransConfig const &config){
3558     self->SetConfig(OpenBabel::OBCisTransConfig::Convert(config));
3559   }
OpenBabel_OBCisTransStereo_GetConfig__SWIG_0(OpenBabel::OBCisTransStereo * self,OpenBabel::OBStereo::Shape shape=OpenBabel::OBStereo::ShapeU)3560 SWIGINTERN OpenBabel::OBCisTransConfig OpenBabel_OBCisTransStereo_GetConfig__SWIG_0(OpenBabel::OBCisTransStereo *self,OpenBabel::OBStereo::Shape shape=OpenBabel::OBStereo::ShapeU){
3561     OpenBabel::OBCisTransStereo::Config cConfig = self->GetConfig(shape);
3562 
3563     OpenBabel::OBCisTransConfig pyConfig;
3564     pyConfig.begin = cConfig.begin;
3565     pyConfig.end = cConfig.end;
3566     pyConfig.refs = cConfig.refs;
3567     pyConfig.shape = cConfig.shape;
3568     pyConfig.specified = cConfig.specified;
3569 
3570     return pyConfig;
3571   }
OpenBabel_OBCisTransStereo_GetConfig__SWIG_2(OpenBabel::OBCisTransStereo * self,unsigned long start,OpenBabel::OBStereo::Shape shape=OpenBabel::OBStereo::ShapeU)3572 SWIGINTERN OpenBabel::OBCisTransConfig OpenBabel_OBCisTransStereo_GetConfig__SWIG_2(OpenBabel::OBCisTransStereo *self,unsigned long start,OpenBabel::OBStereo::Shape shape=OpenBabel::OBStereo::ShapeU){
3573     OpenBabel::OBCisTransStereo::Config cConfig = self->GetConfig(start, shape);
3574 
3575     OpenBabel::OBCisTransConfig pyConfig;
3576     pyConfig.begin = cConfig.begin;
3577     pyConfig.end = cConfig.end;
3578     pyConfig.refs = cConfig.refs;
3579     pyConfig.shape = cConfig.shape;
3580     pyConfig.specified = cConfig.specified;
3581 
3582     return pyConfig;
3583   }
OpenBabel_OBSquarePlanarStereo_SetConfig(OpenBabel::OBSquarePlanarStereo * self,OpenBabel::OBSquarePlanarConfig const & config)3584 SWIGINTERN void OpenBabel_OBSquarePlanarStereo_SetConfig(OpenBabel::OBSquarePlanarStereo *self,OpenBabel::OBSquarePlanarConfig const &config){
3585     self->SetConfig(OpenBabel::OBSquarePlanarConfig::Convert(config));
3586   }
OpenBabel_OBSquarePlanarStereo_GetConfig__SWIG_0(OpenBabel::OBSquarePlanarStereo * self,OpenBabel::OBStereo::Shape shape=OpenBabel::OBStereo::ShapeU)3587 SWIGINTERN OpenBabel::OBSquarePlanarConfig OpenBabel_OBSquarePlanarStereo_GetConfig__SWIG_0(OpenBabel::OBSquarePlanarStereo *self,OpenBabel::OBStereo::Shape shape=OpenBabel::OBStereo::ShapeU){
3588     OpenBabel::OBSquarePlanarStereo::Config cConfig = self->GetConfig(shape);
3589 
3590     OpenBabel::OBSquarePlanarConfig pyConfig;
3591     pyConfig.center = cConfig.center;
3592     pyConfig.refs = cConfig.refs;
3593     pyConfig.shape = cConfig.shape;
3594     pyConfig.specified = cConfig.specified;
3595 
3596     return pyConfig;
3597   }
OpenBabel_OBSquarePlanarStereo_GetConfig__SWIG_2(OpenBabel::OBSquarePlanarStereo * self,unsigned long start,OpenBabel::OBStereo::Shape shape=OpenBabel::OBStereo::ShapeU)3598 SWIGINTERN OpenBabel::OBSquarePlanarConfig OpenBabel_OBSquarePlanarStereo_GetConfig__SWIG_2(OpenBabel::OBSquarePlanarStereo *self,unsigned long start,OpenBabel::OBStereo::Shape shape=OpenBabel::OBStereo::ShapeU){
3599     OpenBabel::OBSquarePlanarStereo::Config cConfig = self->GetConfig(start, shape);
3600 
3601     OpenBabel::OBSquarePlanarConfig pyConfig;
3602     pyConfig.center = cConfig.center;
3603     pyConfig.refs = cConfig.refs;
3604     pyConfig.shape = cConfig.shape;
3605     pyConfig.specified = cConfig.specified;
3606 
3607     return pyConfig;
3608   }
3609 
3610 #ifdef __cplusplus
3611 extern "C" {
3612 #endif
3613 
R_swig_new_stringp()3614 SWIGEXPORT SEXP R_swig_new_stringp ( ) { stringp *result = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
3615   VMAXTYPE r_vmax = vmaxget() ; result = (stringp *)new_stringp();
3616   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_stringp, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
3617   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_stringp(SEXP self)3618 SWIGEXPORT SEXP R_swig_delete_stringp ( SEXP self) { stringp *arg1 = (stringp *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
3619   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
3620   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_stringp, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
3621     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_stringp" "', argument " "1"" of type '" "stringp *""'");  }
3622   arg1 = reinterpret_cast< stringp * >(argp1); delete_stringp(arg1); r_ans = R_NilValue; vmaxset(r_vmax);
3623   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_stringp_assign(SEXP self,SEXP value)3624 SWIGEXPORT SEXP R_swig_stringp_assign ( SEXP self, SEXP value) { stringp *arg1 = (stringp *) 0 ; std::string arg2 ;
3625   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
3626   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_stringp, 0 |  0 ); if (!SWIG_IsOK(res1)) {
3627     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "stringp_assign" "', argument " "1"" of type '" "stringp *""'");  }
3628   arg1 = reinterpret_cast< stringp * >(argp1); { std::string *ptr = (std::string *)0;
3629     int res = SWIG_AsPtr_std_string(value, &ptr); if (!SWIG_IsOK(res) || !ptr) {
3630       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "stringp_assign" "', argument " "2"" of type '" "std::string""'");  }
3631      arg2 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  stringp_assign(arg1,arg2); r_ans = R_NilValue; vmaxset(r_vmax);
3632   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_stringp_value(SEXP self,SEXP s_swig_copy)3633 SWIGEXPORT SEXP R_swig_stringp_value ( SEXP self, SEXP s_swig_copy) { std::string result; stringp *arg1 = (stringp *) 0 ;
3634   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
3635   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_stringp, 0 |  0 ); if (!SWIG_IsOK(res1)) {
3636     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "stringp_value" "', argument " "1"" of type '" "stringp *""'");  }
3637   arg1 = reinterpret_cast< stringp * >(argp1); result = stringp_value(arg1);
3638   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
3639   return r_ans; }
R_swig_stringp_cast(SEXP self)3640 SWIGEXPORT SEXP R_swig_stringp_cast ( SEXP self) { std::string *result = 0 ; stringp *arg1 = (stringp *) 0 ; void *argp1 = 0 ;
3641   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
3642   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_stringp, 0 |  0 ); if (!SWIG_IsOK(res1)) {
3643     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "stringp_cast" "', argument " "1"" of type '" "stringp *""'");  }
3644   arg1 = reinterpret_cast< stringp * >(argp1); result = (std::string *)stringp_cast(arg1);
3645   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__string, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
3646   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_stringp_frompointer(SEXP t)3647 SWIGEXPORT SEXP R_swig_stringp_frompointer ( SEXP t) { stringp *result = 0 ; std::string *arg1 = (std::string *) 0 ;
3648   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
3649   res1 = SWIG_R_ConvertPtr(t, &argp1, SWIGTYPE_p_std__string, 0 |  0 ); if (!SWIG_IsOK(res1)) {
3650     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "stringp_frompointer" "', argument " "1"" of type '" "std::string *""'");  }
3651    arg1 = reinterpret_cast< std::string * >(argp1); result = (stringp *)stringp_frompointer(arg1);
3652   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_stringp, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
3653   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_istreamFromString(SEXP str)3654 SWIGEXPORT SEXP R_swig_istreamFromString ( SEXP str) { std::istream *result = 0 ; std::string arg1 ;
3655   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; { std::string *ptr = (std::string *)0;
3656     int res = SWIG_AsPtr_std_string(str, &ptr); if (!SWIG_IsOK(res) || !ptr) {
3657       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "istreamFromString" "', argument " "1"" of type '" "std::string""'");  }
3658      arg1 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  result = (std::istream *)istreamFromString(arg1);
3659   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__istream, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
3660   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_istreamFromFile(SEXP filename)3661 SWIGEXPORT SEXP R_swig_istreamFromFile ( SEXP filename) { std::istream *result = 0 ; char *arg1 = (char *) 0 ; int res1 ;
3662   char *buf1 = 0 ; int alloc1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
3663   res1 = SWIG_AsCharPtrAndSize(filename, &buf1, NULL, &alloc1); if (!SWIG_IsOK(res1)) {
3664     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "istreamFromFile" "', argument " "1"" of type '" "char const *""'"); }
3665    arg1 = reinterpret_cast< char * >(buf1); result = (std::istream *)istreamFromFile((char const *)arg1);
3666   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__istream, R_SWIG_EXTERNAL |  0 );
3667   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_ostreamToString()3668 SWIGEXPORT SEXP R_swig_ostreamToString ( ) { std::ostream *result = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
3669   VMAXTYPE r_vmax = vmaxget() ; result = (std::ostream *)ostreamToString();
3670   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__ostream, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
3671   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_ostreamToFile(SEXP filename)3672 SWIGEXPORT SEXP R_swig_ostreamToFile ( SEXP filename) { std::ostream *result = 0 ; char *arg1 = (char *) 0 ; int res1 ;
3673   char *buf1 = 0 ; int alloc1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
3674   res1 = SWIG_AsCharPtrAndSize(filename, &buf1, NULL, &alloc1); if (!SWIG_IsOK(res1)) {
3675     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "ostreamToFile" "', argument " "1"" of type '" "char const *""'"); }
3676   arg1 = reinterpret_cast< char * >(buf1); result = (std::ostream *)ostreamToFile((char const *)arg1);
3677   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__ostream, R_SWIG_EXTERNAL |  0 );
3678   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_stringFromOstream(SEXP os,SEXP s_swig_copy)3679 SWIGEXPORT SEXP R_swig_stringFromOstream ( SEXP os, SEXP s_swig_copy) { std::string result;
3680   std::ostringstream *arg1 = (std::ostringstream *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
3681   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
3682   res1 = SWIG_R_ConvertPtr(os, &argp1, SWIGTYPE_p_std__ostringstream, 0 |  0 ); if (!SWIG_IsOK(res1)) {
3683     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "stringFromOstream" "', argument " "1"" of type '" "std::ostringstream const *""'");  }
3684    arg1 = reinterpret_cast< std::ostringstream * >(argp1); result = stringFromOstream((std::ostringstream const *)arg1);
3685   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
3686   return r_ans; }
R_swig_vectorInt___nonzero__(SEXP self,SEXP s_swig_copy)3687 SWIGEXPORT SEXP R_swig_vectorInt___nonzero__ ( SEXP self, SEXP s_swig_copy) { bool result;
3688   std::vector< int > *arg1 = (std::vector< int > *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
3689   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
3690   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_int_std__allocatorT_int_t_t, 0 |  0 ); if (!SWIG_IsOK(res1)) {
3691     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorInt___nonzero__" "', argument " "1"" of type '" "std::vector< int > const *""'");  }
3692    arg1 = reinterpret_cast< std::vector< int > * >(argp1);
3693   result = (bool)std_vector_Sl_int_Sg____nonzero__((std::vector< int > const *)arg1); r_ans = Rf_ScalarLogical(result);
3694   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorInt___len__(SEXP self,SEXP s_swig_copy)3695 SWIGEXPORT SEXP R_swig_vectorInt___len__ ( SEXP self, SEXP s_swig_copy) { std::vector< int >::size_type result;
3696   std::vector< int > *arg1 = (std::vector< int > *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
3697   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
3698   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_int_std__allocatorT_int_t_t, 0 |  0 ); if (!SWIG_IsOK(res1)) {
3699     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorInt___len__" "', argument " "1"" of type '" "std::vector< int > const *""'");  }
3700    arg1 = reinterpret_cast< std::vector< int > * >(argp1);
3701   result = std_vector_Sl_int_Sg____len__((std::vector< int > const *)arg1); r_ans = SWIG_From_int(static_cast< int >(result));
3702   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorInt___getslice__(SEXP self,SEXP i,SEXP j)3703 SWIGEXPORT SEXP R_swig_vectorInt___getslice__ ( SEXP self, SEXP i, SEXP j) {
3704   std::vector< int,std::allocator< int > > *result = 0 ; std::vector< int > *arg1 = (std::vector< int > *) 0 ;
3705   std::vector< int >::difference_type arg2 ; std::vector< int >::difference_type arg3 ; void *argp1 = 0 ; int res1 = 0 ;
3706   int val2 ; int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
3707   VMAXTYPE r_vmax = vmaxget() ;
3708   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_int_std__allocatorT_int_t_t, 0 |  0 ); if (!SWIG_IsOK(res1)) {
3709     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorInt___getslice__" "', argument " "1"" of type '" "std::vector< int > *""'");  }
3710    arg1 = reinterpret_cast< std::vector< int > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2); if (!SWIG_IsOK(ecode2)) {
3711     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorInt___getslice__" "', argument " "2"" of type '" "std::vector< int >::difference_type""'"); }
3712     arg2 = static_cast< std::vector< int >::difference_type >(val2); ecode3 = SWIG_AsVal_int(j, &val3);
3713   if (!SWIG_IsOK(ecode3)) {
3714     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vectorInt___getslice__" "', argument " "3"" of type '" "std::vector< int >::difference_type""'"); }
3715     arg3 = static_cast< std::vector< int >::difference_type >(val3); try {
3716     result = (std::vector< int,std::allocator< int > > *)std_vector_Sl_int_Sg____getslice__(arg1,arg2,arg3);}
3717   catch(std::out_of_range &_e) {   return R_NilValue; ; }
3718   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_int_std__allocatorT_int_t_t, R_SWIG_OWNER |  0 );
3719   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorInt___setslice__(SEXP self,SEXP i,SEXP j,SEXP v)3720 SWIGEXPORT SEXP R_swig_vectorInt___setslice__ ( SEXP self, SEXP i, SEXP j, SEXP v) {
3721   std::vector< int > *arg1 = (std::vector< int > *) 0 ; std::vector< int >::difference_type arg2 ;
3722   std::vector< int >::difference_type arg3 ; std::vector< int,std::allocator< int > > *arg4 = 0 ; void *argp1 = 0 ;
3723   int res1 = 0 ; int val2 ; int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; int res4 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0;
3724   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
3725   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_int_std__allocatorT_int_t_t, 0 |  0 ); if (!SWIG_IsOK(res1)) {
3726     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorInt___setslice__" "', argument " "1"" of type '" "std::vector< int > *""'");  }
3727    arg1 = reinterpret_cast< std::vector< int > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2); if (!SWIG_IsOK(ecode2)) {
3728     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorInt___setslice__" "', argument " "2"" of type '" "std::vector< int >::difference_type""'"); }
3729     arg2 = static_cast< std::vector< int >::difference_type >(val2); ecode3 = SWIG_AsVal_int(j, &val3);
3730   if (!SWIG_IsOK(ecode3)) {
3731     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vectorInt___setslice__" "', argument " "3"" of type '" "std::vector< int >::difference_type""'"); }
3732     arg3 = static_cast< std::vector< int >::difference_type >(val3); {
3733     std::vector<int,std::allocator< int > > *ptr = (std::vector<int,std::allocator< int > > *)0; res4 = swig::asptr(v, &ptr);
3734     if (!SWIG_IsOK(res4)) {
3735       SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "vectorInt___setslice__" "', argument " "4"" of type '" "std::vector< int,std::allocator< int > > const &""'"); }
3736      if (!ptr) {
3737       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "vectorInt___setslice__" "', argument " "4"" of type '" "std::vector< int,std::allocator< int > > const &""'"); }
3738      arg4 = ptr; }  try {
3739     std_vector_Sl_int_Sg____setslice__(arg1,arg2,arg3,(std::vector< int,std::allocator< int > > const &)*arg4);}
3740   catch(std::out_of_range &_e) {   return R_NilValue; ; }  catch(std::invalid_argument &_e) {   return R_NilValue; ; }
3741   r_ans = R_NilValue; if (SWIG_IsNewObj(res4)) delete arg4; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
3742   return r_ans; }
R_swig_vectorInt___delslice__(SEXP self,SEXP i,SEXP j)3743 SWIGEXPORT SEXP R_swig_vectorInt___delslice__ ( SEXP self, SEXP i, SEXP j) {
3744   std::vector< int > *arg1 = (std::vector< int > *) 0 ; std::vector< int >::difference_type arg2 ;
3745   std::vector< int >::difference_type arg3 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; int val3 ;
3746   int ecode3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
3747   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_int_std__allocatorT_int_t_t, 0 |  0 ); if (!SWIG_IsOK(res1)) {
3748     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorInt___delslice__" "', argument " "1"" of type '" "std::vector< int > *""'");  }
3749    arg1 = reinterpret_cast< std::vector< int > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2); if (!SWIG_IsOK(ecode2)) {
3750     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorInt___delslice__" "', argument " "2"" of type '" "std::vector< int >::difference_type""'"); }
3751     arg2 = static_cast< std::vector< int >::difference_type >(val2); ecode3 = SWIG_AsVal_int(j, &val3);
3752   if (!SWIG_IsOK(ecode3)) {
3753     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vectorInt___delslice__" "', argument " "3"" of type '" "std::vector< int >::difference_type""'"); }
3754     arg3 = static_cast< std::vector< int >::difference_type >(val3); try { std_vector_Sl_int_Sg____delslice__(arg1,arg2,arg3);}
3755   catch(std::out_of_range &_e) {   return R_NilValue; ; }  r_ans = R_NilValue; vmaxset(r_vmax);
3756   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorInt___delitem__(SEXP self,SEXP i)3757 SWIGEXPORT SEXP R_swig_vectorInt___delitem__ ( SEXP self, SEXP i) { std::vector< int > *arg1 = (std::vector< int > *) 0 ;
3758   std::vector< int >::difference_type arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ;
3759   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
3760   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_int_std__allocatorT_int_t_t, 0 |  0 ); if (!SWIG_IsOK(res1)) {
3761     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorInt___delitem__" "', argument " "1"" of type '" "std::vector< int > *""'");  }
3762    arg1 = reinterpret_cast< std::vector< int > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2); if (!SWIG_IsOK(ecode2)) {
3763     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorInt___delitem__" "', argument " "2"" of type '" "std::vector< int >::difference_type""'"); }
3764     arg2 = static_cast< std::vector< int >::difference_type >(val2); try { std_vector_Sl_int_Sg____delitem__(arg1,arg2);}
3765   catch(std::out_of_range &_e) {   return R_NilValue; ; }  r_ans = R_NilValue; vmaxset(r_vmax);
3766   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorInt___getitem__(SEXP self,SEXP i,SEXP s_swig_copy)3767 SWIGEXPORT SEXP R_swig_vectorInt___getitem__ ( SEXP self, SEXP i, SEXP s_swig_copy) {
3768   std::vector< int >::value_type *result = 0 ; std::vector< int > *arg1 = (std::vector< int > *) 0 ;
3769   std::vector< int >::difference_type arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ;
3770   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
3771   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_int_std__allocatorT_int_t_t, 0 |  0 ); if (!SWIG_IsOK(res1)) {
3772     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorInt___getitem__" "', argument " "1"" of type '" "std::vector< int > const *""'");  }
3773    arg1 = reinterpret_cast< std::vector< int > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2); if (!SWIG_IsOK(ecode2)) {
3774     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorInt___getitem__" "', argument " "2"" of type '" "std::vector< int >::difference_type""'"); }
3775     arg2 = static_cast< std::vector< int >::difference_type >(val2); try {
3776     result = (std::vector< int >::value_type *) &std_vector_Sl_int_Sg____getitem__((std::vector< int > const *)arg1,arg2);}
3777   catch(std::out_of_range &_e) {   return R_NilValue; ; }  r_ans = SWIG_From_int(static_cast< int >(*result)); vmaxset(r_vmax);
3778   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorInt___setitem__(SEXP self,SEXP i,SEXP x)3779 SWIGEXPORT SEXP R_swig_vectorInt___setitem__ ( SEXP self, SEXP i, SEXP x) {
3780   std::vector< int > *arg1 = (std::vector< int > *) 0 ; std::vector< int >::difference_type arg2 ;
3781   std::vector< int >::value_type *arg3 = 0 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ;
3782   std::vector< int >::value_type temp3 ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
3783   VMAXTYPE r_vmax = vmaxget() ;
3784   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_int_std__allocatorT_int_t_t, 0 |  0 ); if (!SWIG_IsOK(res1)) {
3785     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorInt___setitem__" "', argument " "1"" of type '" "std::vector< int > *""'");  }
3786    arg1 = reinterpret_cast< std::vector< int > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2); if (!SWIG_IsOK(ecode2)) {
3787     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorInt___setitem__" "', argument " "2"" of type '" "std::vector< int >::difference_type""'"); }
3788     arg2 = static_cast< std::vector< int >::difference_type >(val2); ecode3 = SWIG_AsVal_int(x, &val3);
3789   if (!SWIG_IsOK(ecode3)) {
3790     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vectorInt___setitem__" "', argument " "3"" of type '" "std::vector< int >::value_type""'"); }
3791     temp3 = static_cast< std::vector< int >::value_type >(val3); arg3 = &temp3; try {
3792     std_vector_Sl_int_Sg____setitem__(arg1,arg2,(int const &)*arg3);}  catch(std::out_of_range &_e) {   return R_NilValue; ; }
3793   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorInt__SWIG_0()3794 SWIGEXPORT SEXP R_swig_new_vectorInt__SWIG_0 ( ) { std::vector< int > *result = 0 ; unsigned int r_nprotect = 0;
3795   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (std::vector< int > *)new std::vector< int >();
3796   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_int_std__allocatorT_int_t_t, R_SWIG_OWNER |  0 );
3797   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorInt__SWIG_1(SEXP s_arg1)3798 SWIGEXPORT SEXP R_swig_new_vectorInt__SWIG_1 ( SEXP s_arg1) { std::vector< int > *result = 0 ; std::vector< int > *arg1 = 0 ;
3799   int res1 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; {
3800     std::vector<int,std::allocator< int > > *ptr = (std::vector<int,std::allocator< int > > *)0;
3801     res1 = swig::asptr(s_arg1, &ptr); if (!SWIG_IsOK(res1)) {
3802       SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_vectorInt" "', argument " "1"" of type '" "std::vector< int > const &""'"); }
3803      if (!ptr) {
3804       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_vectorInt" "', argument " "1"" of type '" "std::vector< int > const &""'"); }
3805      arg1 = ptr; }  result = (std::vector< int > *)new std::vector< int >((std::vector< int > const &)*arg1);
3806   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_int_std__allocatorT_int_t_t, R_SWIG_OWNER |  0 );
3807   if (SWIG_IsNewObj(res1)) delete arg1; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorInt_size(SEXP self,SEXP s_swig_copy)3808 SWIGEXPORT SEXP R_swig_vectorInt_size ( SEXP self, SEXP s_swig_copy) { std::vector< int >::size_type result;
3809   std::vector< int > *arg1 = (std::vector< int > *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
3810   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
3811   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_int_std__allocatorT_int_t_t, 0 |  0 ); if (!SWIG_IsOK(res1)) {
3812     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorInt_size" "', argument " "1"" of type '" "std::vector< int > const *""'");  }
3813    arg1 = reinterpret_cast< std::vector< int > * >(argp1); result = ((std::vector< int > const *)arg1)->size();
3814   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorInt__SWIG_2(SEXP size)3815 SWIGEXPORT SEXP R_swig_new_vectorInt__SWIG_2 ( SEXP size) { std::vector< int > *result = 0 ;
3816   std::vector< int >::size_type arg1 ; int val1 ; int ecode1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
3817   VMAXTYPE r_vmax = vmaxget() ; ecode1 = SWIG_AsVal_int(size, &val1); if (!SWIG_IsOK(ecode1)) {
3818     SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "new_vectorInt" "', argument " "1"" of type '" "std::vector< int >::size_type""'"); }
3819     arg1 = static_cast< std::vector< int >::size_type >(val1); result = (std::vector< int > *)new std::vector< int >(arg1);
3820   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_int_std__allocatorT_int_t_t, R_SWIG_OWNER |  0 );
3821   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorInt__SWIG_3(SEXP size,SEXP value)3822 SWIGEXPORT SEXP R_swig_new_vectorInt__SWIG_3 ( SEXP size, SEXP value) { std::vector< int > *result = 0 ;
3823   std::vector< int >::size_type arg1 ; std::vector< int >::value_type *arg2 = 0 ; int val1 ; int ecode1 = 0 ;
3824   std::vector< int >::value_type temp2 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
3825   VMAXTYPE r_vmax = vmaxget() ; ecode1 = SWIG_AsVal_int(size, &val1); if (!SWIG_IsOK(ecode1)) {
3826     SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "new_vectorInt" "', argument " "1"" of type '" "std::vector< int >::size_type""'"); }
3827     arg1 = static_cast< std::vector< int >::size_type >(val1); ecode2 = SWIG_AsVal_int(value, &val2); if (!SWIG_IsOK(ecode2)) {
3828     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "new_vectorInt" "', argument " "2"" of type '" "std::vector< int >::value_type""'"); }
3829     temp2 = static_cast< std::vector< int >::value_type >(val2); arg2 = &temp2;
3830   result = (std::vector< int > *)new std::vector< int >(arg1,(std::vector< int >::value_type const &)*arg2);
3831   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_int_std__allocatorT_int_t_t, R_SWIG_OWNER |  0 );
3832   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_vectorInt(SEXP self)3833 SWIGEXPORT SEXP R_swig_delete_vectorInt ( SEXP self) { std::vector< int > *arg1 = (std::vector< int > *) 0 ; void *argp1 = 0 ;
3834   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
3835   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_int_std__allocatorT_int_t_t, SWIG_POINTER_DISOWN |  0 );
3836   if (!SWIG_IsOK(res1)) {
3837     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_vectorInt" "', argument " "1"" of type '" "std::vector< int > *""'");  }
3838    arg1 = reinterpret_cast< std::vector< int > * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
3839   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_vectorUnsignedInt___nonzero__(SEXP self,SEXP s_swig_copy)3840 SWIGEXPORT SEXP R_swig_vectorUnsignedInt___nonzero__ ( SEXP self, SEXP s_swig_copy) { bool result;
3841   std::vector< unsigned int > *arg1 = (std::vector< unsigned int > *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
3842   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
3843   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t, 0 |  0 );
3844   if (!SWIG_IsOK(res1)) {
3845     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorUnsignedInt___nonzero__" "', argument " "1"" of type '" "std::vector< unsigned int > const *""'");  }
3846    arg1 = reinterpret_cast< std::vector< unsigned int > * >(argp1);
3847   result = (bool)std_vector_Sl_unsigned_SS_int_Sg____nonzero__((std::vector< unsigned int > const *)arg1);
3848   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorUnsignedInt___len__(SEXP self,SEXP s_swig_copy)3849 SWIGEXPORT SEXP R_swig_vectorUnsignedInt___len__ ( SEXP self, SEXP s_swig_copy) { std::vector< unsigned int >::size_type result;
3850   std::vector< unsigned int > *arg1 = (std::vector< unsigned int > *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
3851   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
3852   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t, 0 |  0 );
3853   if (!SWIG_IsOK(res1)) {
3854     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorUnsignedInt___len__" "', argument " "1"" of type '" "std::vector< unsigned int > const *""'");  }
3855    arg1 = reinterpret_cast< std::vector< unsigned int > * >(argp1);
3856   result = std_vector_Sl_unsigned_SS_int_Sg____len__((std::vector< unsigned int > const *)arg1);
3857   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorUnsignedInt___getslice__(SEXP self,SEXP i,SEXP j)3858 SWIGEXPORT SEXP R_swig_vectorUnsignedInt___getslice__ ( SEXP self, SEXP i, SEXP j) {
3859   std::vector< unsigned int,std::allocator< unsigned int > > *result = 0 ;
3860   std::vector< unsigned int > *arg1 = (std::vector< unsigned int > *) 0 ; std::vector< unsigned int >::difference_type arg2 ;
3861   std::vector< unsigned int >::difference_type arg3 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; int val3 ;
3862   int ecode3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
3863   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t, 0 |  0 );
3864   if (!SWIG_IsOK(res1)) {
3865     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorUnsignedInt___getslice__" "', argument " "1"" of type '" "std::vector< unsigned int > *""'");  }
3866    arg1 = reinterpret_cast< std::vector< unsigned int > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2); if (!SWIG_IsOK(ecode2)) {
3867     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorUnsignedInt___getslice__" "', argument " "2"" of type '" "std::vector< unsigned int >::difference_type""'"); }
3868     arg2 = static_cast< std::vector< unsigned int >::difference_type >(val2); ecode3 = SWIG_AsVal_int(j, &val3);
3869   if (!SWIG_IsOK(ecode3)) {
3870     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vectorUnsignedInt___getslice__" "', argument " "3"" of type '" "std::vector< unsigned int >::difference_type""'"); }
3871     arg3 = static_cast< std::vector< unsigned int >::difference_type >(val3); try {
3872     result = (std::vector< unsigned int,std::allocator< unsigned int > > *)std_vector_Sl_unsigned_SS_int_Sg____getslice__(arg1,arg2,arg3);}
3873    catch(std::out_of_range &_e) {   return R_NilValue; ; }
3874   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t, R_SWIG_OWNER |  0 );
3875   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorUnsignedInt___setslice__(SEXP self,SEXP i,SEXP j,SEXP v)3876 SWIGEXPORT SEXP R_swig_vectorUnsignedInt___setslice__ ( SEXP self, SEXP i, SEXP j, SEXP v) {
3877   std::vector< unsigned int > *arg1 = (std::vector< unsigned int > *) 0 ; std::vector< unsigned int >::difference_type arg2 ;
3878   std::vector< unsigned int >::difference_type arg3 ; std::vector< unsigned int,std::allocator< unsigned int > > *arg4 = 0 ;
3879   void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; int res4 = SWIG_OLDOBJ ;
3880   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
3881   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t, 0 |  0 );
3882   if (!SWIG_IsOK(res1)) {
3883     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorUnsignedInt___setslice__" "', argument " "1"" of type '" "std::vector< unsigned int > *""'");  }
3884    arg1 = reinterpret_cast< std::vector< unsigned int > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2); if (!SWIG_IsOK(ecode2)) {
3885     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorUnsignedInt___setslice__" "', argument " "2"" of type '" "std::vector< unsigned int >::difference_type""'"); }
3886     arg2 = static_cast< std::vector< unsigned int >::difference_type >(val2); ecode3 = SWIG_AsVal_int(j, &val3);
3887   if (!SWIG_IsOK(ecode3)) {
3888     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vectorUnsignedInt___setslice__" "', argument " "3"" of type '" "std::vector< unsigned int >::difference_type""'"); }
3889     arg3 = static_cast< std::vector< unsigned int >::difference_type >(val3); {
3890     std::vector<unsigned int,std::allocator< unsigned int > > *ptr = (std::vector<unsigned int,std::allocator< unsigned int > > *)0;
3891     res4 = swig::asptr(v, &ptr); if (!SWIG_IsOK(res4)) {
3892       SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "vectorUnsignedInt___setslice__" "', argument " "4"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > const &""'"); }
3893      if (!ptr) {
3894       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "vectorUnsignedInt___setslice__" "', argument " "4"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > const &""'"); }
3895      arg4 = ptr; }  try {
3896     std_vector_Sl_unsigned_SS_int_Sg____setslice__(arg1,arg2,arg3,(std::vector< unsigned int,std::allocator< unsigned int > > const &)*arg4);}
3897    catch(std::out_of_range &_e) {   return R_NilValue; ; }  catch(std::invalid_argument &_e) {   return R_NilValue; ; }
3898   r_ans = R_NilValue; if (SWIG_IsNewObj(res4)) delete arg4; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
3899   return r_ans; }
R_swig_vectorUnsignedInt___delslice__(SEXP self,SEXP i,SEXP j)3900 SWIGEXPORT SEXP R_swig_vectorUnsignedInt___delslice__ ( SEXP self, SEXP i, SEXP j) {
3901   std::vector< unsigned int > *arg1 = (std::vector< unsigned int > *) 0 ; std::vector< unsigned int >::difference_type arg2 ;
3902   std::vector< unsigned int >::difference_type arg3 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; int val3 ;
3903   int ecode3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
3904   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t, 0 |  0 );
3905   if (!SWIG_IsOK(res1)) {
3906     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorUnsignedInt___delslice__" "', argument " "1"" of type '" "std::vector< unsigned int > *""'");  }
3907    arg1 = reinterpret_cast< std::vector< unsigned int > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2); if (!SWIG_IsOK(ecode2)) {
3908     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorUnsignedInt___delslice__" "', argument " "2"" of type '" "std::vector< unsigned int >::difference_type""'"); }
3909     arg2 = static_cast< std::vector< unsigned int >::difference_type >(val2); ecode3 = SWIG_AsVal_int(j, &val3);
3910   if (!SWIG_IsOK(ecode3)) {
3911     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vectorUnsignedInt___delslice__" "', argument " "3"" of type '" "std::vector< unsigned int >::difference_type""'"); }
3912     arg3 = static_cast< std::vector< unsigned int >::difference_type >(val3); try {
3913     std_vector_Sl_unsigned_SS_int_Sg____delslice__(arg1,arg2,arg3);}  catch(std::out_of_range &_e) {   return R_NilValue; ; }
3914   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorUnsignedInt___delitem__(SEXP self,SEXP i)3915 SWIGEXPORT SEXP R_swig_vectorUnsignedInt___delitem__ ( SEXP self, SEXP i) {
3916   std::vector< unsigned int > *arg1 = (std::vector< unsigned int > *) 0 ; std::vector< unsigned int >::difference_type arg2 ;
3917   void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
3918   VMAXTYPE r_vmax = vmaxget() ;
3919   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t, 0 |  0 );
3920   if (!SWIG_IsOK(res1)) {
3921     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorUnsignedInt___delitem__" "', argument " "1"" of type '" "std::vector< unsigned int > *""'");  }
3922    arg1 = reinterpret_cast< std::vector< unsigned int > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2); if (!SWIG_IsOK(ecode2)) {
3923     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorUnsignedInt___delitem__" "', argument " "2"" of type '" "std::vector< unsigned int >::difference_type""'"); }
3924     arg2 = static_cast< std::vector< unsigned int >::difference_type >(val2); try {
3925     std_vector_Sl_unsigned_SS_int_Sg____delitem__(arg1,arg2);}  catch(std::out_of_range &_e) {   return R_NilValue; ; }
3926   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorUnsignedInt___getitem__(SEXP self,SEXP i,SEXP s_swig_copy)3927 SWIGEXPORT SEXP R_swig_vectorUnsignedInt___getitem__ ( SEXP self, SEXP i, SEXP s_swig_copy) {
3928   std::vector< unsigned int >::value_type *result = 0 ; std::vector< unsigned int > *arg1 = (std::vector< unsigned int > *) 0 ;
3929   std::vector< unsigned int >::difference_type arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ;
3930   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
3931   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t, 0 |  0 );
3932   if (!SWIG_IsOK(res1)) {
3933     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorUnsignedInt___getitem__" "', argument " "1"" of type '" "std::vector< unsigned int > const *""'");  }
3934    arg1 = reinterpret_cast< std::vector< unsigned int > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2); if (!SWIG_IsOK(ecode2)) {
3935     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorUnsignedInt___getitem__" "', argument " "2"" of type '" "std::vector< unsigned int >::difference_type""'"); }
3936     arg2 = static_cast< std::vector< unsigned int >::difference_type >(val2); try {
3937     result = (std::vector< unsigned int >::value_type *) &std_vector_Sl_unsigned_SS_int_Sg____getitem__((std::vector< unsigned int > const *)arg1,arg2);}
3938    catch(std::out_of_range &_e) {   return R_NilValue; ; }
3939   r_ans = SWIG_From_unsigned_SS_int(static_cast< unsigned int >(*result)); vmaxset(r_vmax);
3940   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorUnsignedInt___setitem__(SEXP self,SEXP i,SEXP x)3941 SWIGEXPORT SEXP R_swig_vectorUnsignedInt___setitem__ ( SEXP self, SEXP i, SEXP x) {
3942   std::vector< unsigned int > *arg1 = (std::vector< unsigned int > *) 0 ; std::vector< unsigned int >::difference_type arg2 ;
3943   std::vector< unsigned int >::value_type *arg3 = 0 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ;
3944   std::vector< unsigned int >::value_type temp3 ; unsigned int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0;
3945   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
3946   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t, 0 |  0 );
3947   if (!SWIG_IsOK(res1)) {
3948     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorUnsignedInt___setitem__" "', argument " "1"" of type '" "std::vector< unsigned int > *""'");  }
3949    arg1 = reinterpret_cast< std::vector< unsigned int > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2); if (!SWIG_IsOK(ecode2)) {
3950     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorUnsignedInt___setitem__" "', argument " "2"" of type '" "std::vector< unsigned int >::difference_type""'"); }
3951     arg2 = static_cast< std::vector< unsigned int >::difference_type >(val2); ecode3 = SWIG_AsVal_unsigned_SS_int(x, &val3);
3952   if (!SWIG_IsOK(ecode3)) {
3953     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vectorUnsignedInt___setitem__" "', argument " "3"" of type '" "std::vector< unsigned int >::value_type""'"); }
3954     temp3 = static_cast< std::vector< unsigned int >::value_type >(val3); arg3 = &temp3; try {
3955     std_vector_Sl_unsigned_SS_int_Sg____setitem__(arg1,arg2,(unsigned int const &)*arg3);}  catch(std::out_of_range &_e) {
3956     return R_NilValue; ; }  r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorUnsignedInt__SWIG_0()3957 SWIGEXPORT SEXP R_swig_new_vectorUnsignedInt__SWIG_0 ( ) { std::vector< unsigned int > *result = 0 ;
3958   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
3959   result = (std::vector< unsigned int > *)new std::vector< unsigned int >();
3960   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t, R_SWIG_OWNER |  0 );
3961   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorUnsignedInt__SWIG_1(SEXP s_arg1)3962 SWIGEXPORT SEXP R_swig_new_vectorUnsignedInt__SWIG_1 ( SEXP s_arg1) { std::vector< unsigned int > *result = 0 ;
3963   std::vector< unsigned int > *arg1 = 0 ; int res1 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
3964   VMAXTYPE r_vmax = vmaxget() ; {
3965     std::vector<unsigned int,std::allocator< unsigned int > > *ptr = (std::vector<unsigned int,std::allocator< unsigned int > > *)0;
3966     res1 = swig::asptr(s_arg1, &ptr); if (!SWIG_IsOK(res1)) {
3967       SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_vectorUnsignedInt" "', argument " "1"" of type '" "std::vector< unsigned int > const &""'"); }
3968      if (!ptr) {
3969       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_vectorUnsignedInt" "', argument " "1"" of type '" "std::vector< unsigned int > const &""'"); }
3970      arg1 = ptr; }
3971   result = (std::vector< unsigned int > *)new std::vector< unsigned int >((std::vector< unsigned int > const &)*arg1);
3972   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t, R_SWIG_OWNER |  0 );
3973   if (SWIG_IsNewObj(res1)) delete arg1; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorUnsignedInt_size(SEXP self,SEXP s_swig_copy)3974 SWIGEXPORT SEXP R_swig_vectorUnsignedInt_size ( SEXP self, SEXP s_swig_copy) { std::vector< unsigned int >::size_type result;
3975   std::vector< unsigned int > *arg1 = (std::vector< unsigned int > *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
3976   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
3977   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t, 0 |  0 );
3978   if (!SWIG_IsOK(res1)) {
3979     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorUnsignedInt_size" "', argument " "1"" of type '" "std::vector< unsigned int > const *""'");  }
3980    arg1 = reinterpret_cast< std::vector< unsigned int > * >(argp1);
3981   result = ((std::vector< unsigned int > const *)arg1)->size(); r_ans = SWIG_From_int(static_cast< int >(result));
3982   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorUnsignedInt__SWIG_2(SEXP size)3983 SWIGEXPORT SEXP R_swig_new_vectorUnsignedInt__SWIG_2 ( SEXP size) { std::vector< unsigned int > *result = 0 ;
3984   std::vector< unsigned int >::size_type arg1 ; int val1 ; int ecode1 = 0 ; unsigned int r_nprotect = 0;
3985   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; ecode1 = SWIG_AsVal_int(size, &val1); if (!SWIG_IsOK(ecode1)) {
3986     SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "new_vectorUnsignedInt" "', argument " "1"" of type '" "std::vector< unsigned int >::size_type""'"); }
3987     arg1 = static_cast< std::vector< unsigned int >::size_type >(val1);
3988   result = (std::vector< unsigned int > *)new std::vector< unsigned int >(arg1);
3989   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t, R_SWIG_OWNER |  0 );
3990   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorUnsignedInt__SWIG_3(SEXP size,SEXP value)3991 SWIGEXPORT SEXP R_swig_new_vectorUnsignedInt__SWIG_3 ( SEXP size, SEXP value) { std::vector< unsigned int > *result = 0 ;
3992   std::vector< unsigned int >::size_type arg1 ; std::vector< unsigned int >::value_type *arg2 = 0 ; int val1 ; int ecode1 = 0 ;
3993   std::vector< unsigned int >::value_type temp2 ; unsigned int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0;
3994   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; ecode1 = SWIG_AsVal_int(size, &val1); if (!SWIG_IsOK(ecode1)) {
3995     SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "new_vectorUnsignedInt" "', argument " "1"" of type '" "std::vector< unsigned int >::size_type""'"); }
3996     arg1 = static_cast< std::vector< unsigned int >::size_type >(val1); ecode2 = SWIG_AsVal_unsigned_SS_int(value, &val2);
3997   if (!SWIG_IsOK(ecode2)) {
3998     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "new_vectorUnsignedInt" "', argument " "2"" of type '" "std::vector< unsigned int >::value_type""'"); }
3999     temp2 = static_cast< std::vector< unsigned int >::value_type >(val2); arg2 = &temp2;
4000   result = (std::vector< unsigned int > *)new std::vector< unsigned int >(arg1,(std::vector< unsigned int >::value_type const &)*arg2);
4001   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t, R_SWIG_OWNER |  0 );
4002   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_vectorUnsignedInt(SEXP self)4003 SWIGEXPORT SEXP R_swig_delete_vectorUnsignedInt ( SEXP self) {
4004   std::vector< unsigned int > *arg1 = (std::vector< unsigned int > *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
4005   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4006   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t, SWIG_POINTER_DISOWN |  0 );
4007   if (!SWIG_IsOK(res1)) {
4008     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_vectorUnsignedInt" "', argument " "1"" of type '" "std::vector< unsigned int > *""'");  }
4009    arg1 = reinterpret_cast< std::vector< unsigned int > * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
4010   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_vectorvInt___nonzero__(SEXP self,SEXP s_swig_copy)4011 SWIGEXPORT SEXP R_swig_vectorvInt___nonzero__ ( SEXP self, SEXP s_swig_copy) { bool result;
4012   std::vector< std::vector< int > > *arg1 = (std::vector< std::vector< int > > *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
4013   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4014   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t, 0 |  0 );
4015   if (!SWIG_IsOK(res1)) {
4016     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorvInt___nonzero__" "', argument " "1"" of type '" "std::vector< std::vector< int > > const *""'");  }
4017    arg1 = reinterpret_cast< std::vector< std::vector< int > > * >(argp1);
4018   result = (bool)std_vector_Sl_std_vector_Sl_int_Sg__Sg____nonzero__((std::vector< std::vector< int > > const *)arg1);
4019   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorvInt___len__(SEXP self,SEXP s_swig_copy)4020 SWIGEXPORT SEXP R_swig_vectorvInt___len__ ( SEXP self, SEXP s_swig_copy) { std::vector< std::vector< int > >::size_type result;
4021   std::vector< std::vector< int > > *arg1 = (std::vector< std::vector< int > > *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
4022   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4023   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t, 0 |  0 );
4024   if (!SWIG_IsOK(res1)) {
4025     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorvInt___len__" "', argument " "1"" of type '" "std::vector< std::vector< int > > const *""'");  }
4026    arg1 = reinterpret_cast< std::vector< std::vector< int > > * >(argp1);
4027   result = std_vector_Sl_std_vector_Sl_int_Sg__Sg____len__((std::vector< std::vector< int > > const *)arg1);
4028   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorvInt___getslice__(SEXP self,SEXP i,SEXP j)4029 SWIGEXPORT SEXP R_swig_vectorvInt___getslice__ ( SEXP self, SEXP i, SEXP j) {
4030   std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > *result = 0 ;
4031   std::vector< std::vector< int > > *arg1 = (std::vector< std::vector< int > > *) 0 ;
4032   std::vector< std::vector< int > >::difference_type arg2 ; std::vector< std::vector< int > >::difference_type arg3 ;
4033   void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0;
4034   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4035   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t, 0 |  0 );
4036   if (!SWIG_IsOK(res1)) {
4037     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorvInt___getslice__" "', argument " "1"" of type '" "std::vector< std::vector< int > > *""'");  }
4038    arg1 = reinterpret_cast< std::vector< std::vector< int > > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
4039   if (!SWIG_IsOK(ecode2)) {
4040     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorvInt___getslice__" "', argument " "2"" of type '" "std::vector< std::vector< int > >::difference_type""'"); }
4041     arg2 = static_cast< std::vector< std::vector< int > >::difference_type >(val2); ecode3 = SWIG_AsVal_int(j, &val3);
4042   if (!SWIG_IsOK(ecode3)) {
4043     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vectorvInt___getslice__" "', argument " "3"" of type '" "std::vector< std::vector< int > >::difference_type""'"); }
4044     arg3 = static_cast< std::vector< std::vector< int > >::difference_type >(val3); try {
4045     result = (std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > *)std_vector_Sl_std_vector_Sl_int_Sg__Sg____getslice__(arg1,arg2,arg3);}
4046    catch(std::out_of_range &_e) {   return R_NilValue; ; }
4047   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t, R_SWIG_OWNER |  0 );
4048   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorvInt___setslice__(SEXP self,SEXP i,SEXP j,SEXP v)4049 SWIGEXPORT SEXP R_swig_vectorvInt___setslice__ ( SEXP self, SEXP i, SEXP j, SEXP v) {
4050   std::vector< std::vector< int > > *arg1 = (std::vector< std::vector< int > > *) 0 ;
4051   std::vector< std::vector< int > >::difference_type arg2 ; std::vector< std::vector< int > >::difference_type arg3 ;
4052   std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > *arg4 = 0 ;
4053   void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; int res4 = SWIG_OLDOBJ ;
4054   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4055   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t, 0 |  0 );
4056   if (!SWIG_IsOK(res1)) {
4057     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorvInt___setslice__" "', argument " "1"" of type '" "std::vector< std::vector< int > > *""'");  }
4058    arg1 = reinterpret_cast< std::vector< std::vector< int > > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
4059   if (!SWIG_IsOK(ecode2)) {
4060     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorvInt___setslice__" "', argument " "2"" of type '" "std::vector< std::vector< int > >::difference_type""'"); }
4061     arg2 = static_cast< std::vector< std::vector< int > >::difference_type >(val2); ecode3 = SWIG_AsVal_int(j, &val3);
4062   if (!SWIG_IsOK(ecode3)) {
4063     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vectorvInt___setslice__" "', argument " "3"" of type '" "std::vector< std::vector< int > >::difference_type""'"); }
4064     arg3 = static_cast< std::vector< std::vector< int > >::difference_type >(val3); {
4065     std::vector<std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > *ptr = (std::vector<std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > *)0;
4066     res4 = swig::asptr(v, &ptr); if (!SWIG_IsOK(res4)) {
4067       SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "vectorvInt___setslice__" "', argument " "4"" of type '" "std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > const &""'"); }
4068      if (!ptr) {
4069       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "vectorvInt___setslice__" "', argument " "4"" of type '" "std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > const &""'"); }
4070      arg4 = ptr; }  try {
4071     std_vector_Sl_std_vector_Sl_int_Sg__Sg____setslice__(arg1,arg2,arg3,(std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > const &)*arg4);}
4072    catch(std::out_of_range &_e) {   return R_NilValue; ; }  catch(std::invalid_argument &_e) {   return R_NilValue; ; }
4073   r_ans = R_NilValue; if (SWIG_IsNewObj(res4)) delete arg4; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
4074   return r_ans; }
R_swig_vectorvInt___delslice__(SEXP self,SEXP i,SEXP j)4075 SWIGEXPORT SEXP R_swig_vectorvInt___delslice__ ( SEXP self, SEXP i, SEXP j) {
4076   std::vector< std::vector< int > > *arg1 = (std::vector< std::vector< int > > *) 0 ;
4077   std::vector< std::vector< int > >::difference_type arg2 ; std::vector< std::vector< int > >::difference_type arg3 ;
4078   void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0;
4079   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4080   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t, 0 |  0 );
4081   if (!SWIG_IsOK(res1)) {
4082     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorvInt___delslice__" "', argument " "1"" of type '" "std::vector< std::vector< int > > *""'");  }
4083    arg1 = reinterpret_cast< std::vector< std::vector< int > > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
4084   if (!SWIG_IsOK(ecode2)) {
4085     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorvInt___delslice__" "', argument " "2"" of type '" "std::vector< std::vector< int > >::difference_type""'"); }
4086     arg2 = static_cast< std::vector< std::vector< int > >::difference_type >(val2); ecode3 = SWIG_AsVal_int(j, &val3);
4087   if (!SWIG_IsOK(ecode3)) {
4088     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vectorvInt___delslice__" "', argument " "3"" of type '" "std::vector< std::vector< int > >::difference_type""'"); }
4089     arg3 = static_cast< std::vector< std::vector< int > >::difference_type >(val3); try {
4090     std_vector_Sl_std_vector_Sl_int_Sg__Sg____delslice__(arg1,arg2,arg3);}  catch(std::out_of_range &_e) {   return R_NilValue;
4091     ; }  r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorvInt___delitem__(SEXP self,SEXP i)4092 SWIGEXPORT SEXP R_swig_vectorvInt___delitem__ ( SEXP self, SEXP i) {
4093   std::vector< std::vector< int > > *arg1 = (std::vector< std::vector< int > > *) 0 ;
4094   std::vector< std::vector< int > >::difference_type arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ;
4095   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4096   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t, 0 |  0 );
4097   if (!SWIG_IsOK(res1)) {
4098     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorvInt___delitem__" "', argument " "1"" of type '" "std::vector< std::vector< int > > *""'");  }
4099    arg1 = reinterpret_cast< std::vector< std::vector< int > > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
4100   if (!SWIG_IsOK(ecode2)) {
4101     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorvInt___delitem__" "', argument " "2"" of type '" "std::vector< std::vector< int > >::difference_type""'"); }
4102     arg2 = static_cast< std::vector< std::vector< int > >::difference_type >(val2); try {
4103     std_vector_Sl_std_vector_Sl_int_Sg__Sg____delitem__(arg1,arg2);}  catch(std::out_of_range &_e) {   return R_NilValue; ; }
4104   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorvInt___getitem__(SEXP self,SEXP i,SEXP s_swig_copy)4105 SWIGEXPORT SEXP R_swig_vectorvInt___getitem__ ( SEXP self, SEXP i, SEXP s_swig_copy) {
4106   std::vector< std::vector< int > >::value_type *result = 0 ;
4107   std::vector< std::vector< int > > *arg1 = (std::vector< std::vector< int > > *) 0 ;
4108   std::vector< std::vector< int > >::difference_type arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ;
4109   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4110   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t, 0 |  0 );
4111   if (!SWIG_IsOK(res1)) {
4112     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorvInt___getitem__" "', argument " "1"" of type '" "std::vector< std::vector< int > > const *""'");  }
4113    arg1 = reinterpret_cast< std::vector< std::vector< int > > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
4114   if (!SWIG_IsOK(ecode2)) {
4115     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorvInt___getitem__" "', argument " "2"" of type '" "std::vector< std::vector< int > >::difference_type""'"); }
4116     arg2 = static_cast< std::vector< std::vector< int > >::difference_type >(val2); try {
4117     result = (std::vector< std::vector< int > >::value_type *) &std_vector_Sl_std_vector_Sl_int_Sg__Sg____getitem__((std::vector< std::vector< int > > const *)arg1,arg2);}
4118    catch(std::out_of_range &_e) {   return R_NilValue; ; }
4119   r_ans = swig::from(static_cast< std::vector<int,std::allocator< int > > >(*result)); vmaxset(r_vmax);
4120   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorvInt___setitem__(SEXP self,SEXP i,SEXP x)4121 SWIGEXPORT SEXP R_swig_vectorvInt___setitem__ ( SEXP self, SEXP i, SEXP x) {
4122   std::vector< std::vector< int > > *arg1 = (std::vector< std::vector< int > > *) 0 ;
4123   std::vector< std::vector< int > >::difference_type arg2 ; std::vector< std::vector< int > >::value_type *arg3 = 0 ;
4124   void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; int res3 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0;
4125   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4126   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t, 0 |  0 );
4127   if (!SWIG_IsOK(res1)) {
4128     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorvInt___setitem__" "', argument " "1"" of type '" "std::vector< std::vector< int > > *""'");  }
4129    arg1 = reinterpret_cast< std::vector< std::vector< int > > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
4130   if (!SWIG_IsOK(ecode2)) {
4131     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorvInt___setitem__" "', argument " "2"" of type '" "std::vector< std::vector< int > >::difference_type""'"); }
4132     arg2 = static_cast< std::vector< std::vector< int > >::difference_type >(val2); {
4133     std::vector<int,std::allocator< int > > *ptr = (std::vector<int,std::allocator< int > > *)0; res3 = swig::asptr(x, &ptr);
4134     if (!SWIG_IsOK(res3)) {
4135       SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "vectorvInt___setitem__" "', argument " "3"" of type '" "std::vector< std::vector< int > >::value_type const &""'"); }
4136      if (!ptr) {
4137       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "vectorvInt___setitem__" "', argument " "3"" of type '" "std::vector< std::vector< int > >::value_type const &""'"); }
4138      arg3 = ptr; }  try {
4139     std_vector_Sl_std_vector_Sl_int_Sg__Sg____setitem__(arg1,arg2,(std::vector< int,std::allocator< int > > const &)*arg3);}
4140   catch(std::out_of_range &_e) {   return R_NilValue; ; }  r_ans = R_NilValue; if (SWIG_IsNewObj(res3)) delete arg3;
4141   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorvInt__SWIG_0()4142 SWIGEXPORT SEXP R_swig_new_vectorvInt__SWIG_0 ( ) { std::vector< std::vector< int > > *result = 0 ; unsigned int r_nprotect = 0;
4143   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4144   result = (std::vector< std::vector< int > > *)new std::vector< std::vector< int > >();
4145   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t, R_SWIG_OWNER |  0 );
4146   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorvInt__SWIG_1(SEXP s_arg1)4147 SWIGEXPORT SEXP R_swig_new_vectorvInt__SWIG_1 ( SEXP s_arg1) { std::vector< std::vector< int > > *result = 0 ;
4148   std::vector< std::vector< int,std::allocator< int > > > *arg1 = 0 ; int res1 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0;
4149   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; {
4150     std::vector<std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > *ptr = (std::vector<std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > *)0;
4151     res1 = swig::asptr(s_arg1, &ptr); if (!SWIG_IsOK(res1)) {
4152       SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_vectorvInt" "', argument " "1"" of type '" "std::vector< std::vector< int,std::allocator< int > > > const &""'"); }
4153      if (!ptr) {
4154       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_vectorvInt" "', argument " "1"" of type '" "std::vector< std::vector< int,std::allocator< int > > > const &""'"); }
4155      arg1 = ptr; }
4156   result = (std::vector< std::vector< int > > *)new std::vector< std::vector< int > >((std::vector< std::vector< int,std::allocator< int > > > const &)*arg1);
4157   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t, R_SWIG_OWNER |  0 );
4158   if (SWIG_IsNewObj(res1)) delete arg1; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorvInt_size(SEXP self,SEXP s_swig_copy)4159 SWIGEXPORT SEXP R_swig_vectorvInt_size ( SEXP self, SEXP s_swig_copy) { std::vector< std::vector< int > >::size_type result;
4160   std::vector< std::vector< int > > *arg1 = (std::vector< std::vector< int > > *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
4161   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4162   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t, 0 |  0 );
4163   if (!SWIG_IsOK(res1)) {
4164     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorvInt_size" "', argument " "1"" of type '" "std::vector< std::vector< int > > const *""'");  }
4165    arg1 = reinterpret_cast< std::vector< std::vector< int > > * >(argp1);
4166   result = ((std::vector< std::vector< int > > const *)arg1)->size(); r_ans = SWIG_From_int(static_cast< int >(result));
4167   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorvInt__SWIG_2(SEXP size)4168 SWIGEXPORT SEXP R_swig_new_vectorvInt__SWIG_2 ( SEXP size) { std::vector< std::vector< int > > *result = 0 ;
4169   std::vector< std::vector< int > >::size_type arg1 ; int val1 ; int ecode1 = 0 ; unsigned int r_nprotect = 0;
4170   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; ecode1 = SWIG_AsVal_int(size, &val1); if (!SWIG_IsOK(ecode1)) {
4171     SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "new_vectorvInt" "', argument " "1"" of type '" "std::vector< std::vector< int > >::size_type""'"); }
4172     arg1 = static_cast< std::vector< std::vector< int > >::size_type >(val1);
4173   result = (std::vector< std::vector< int > > *)new std::vector< std::vector< int > >(arg1);
4174   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t, R_SWIG_OWNER |  0 );
4175   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorvInt__SWIG_3(SEXP size,SEXP value)4176 SWIGEXPORT SEXP R_swig_new_vectorvInt__SWIG_3 ( SEXP size, SEXP value) { std::vector< std::vector< int > > *result = 0 ;
4177   std::vector< std::vector< int > >::size_type arg1 ; std::vector< std::vector< int > >::value_type *arg2 = 0 ; int val1 ;
4178   int ecode1 = 0 ; int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4179   ecode1 = SWIG_AsVal_int(size, &val1); if (!SWIG_IsOK(ecode1)) {
4180     SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "new_vectorvInt" "', argument " "1"" of type '" "std::vector< std::vector< int > >::size_type""'"); }
4181     arg1 = static_cast< std::vector< std::vector< int > >::size_type >(val1); {
4182     std::vector<int,std::allocator< int > > *ptr = (std::vector<int,std::allocator< int > > *)0;
4183     res2 = swig::asptr(value, &ptr); if (!SWIG_IsOK(res2)) {
4184       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_vectorvInt" "', argument " "2"" of type '" "std::vector< std::vector< int > >::value_type const &""'"); }
4185      if (!ptr) {
4186       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_vectorvInt" "', argument " "2"" of type '" "std::vector< std::vector< int > >::value_type const &""'"); }
4187      arg2 = ptr; }
4188   result = (std::vector< std::vector< int > > *)new std::vector< std::vector< int > >(arg1,(std::vector< std::vector< int > >::value_type const &)*arg2);
4189   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t, R_SWIG_OWNER |  0 );
4190   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_vectorvInt(SEXP self)4191 SWIGEXPORT SEXP R_swig_delete_vectorvInt ( SEXP self) {
4192   std::vector< std::vector< int > > *arg1 = (std::vector< std::vector< int > > *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
4193   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4194   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t, SWIG_POINTER_DISOWN |  0 );
4195   if (!SWIG_IsOK(res1)) {
4196     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_vectorvInt" "', argument " "1"" of type '" "std::vector< std::vector< int > > *""'");  }
4197    arg1 = reinterpret_cast< std::vector< std::vector< int > > * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
4198   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_vectorDouble___nonzero__(SEXP self,SEXP s_swig_copy)4199 SWIGEXPORT SEXP R_swig_vectorDouble___nonzero__ ( SEXP self, SEXP s_swig_copy) { bool result;
4200   std::vector< double > *arg1 = (std::vector< double > *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
4201   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4202   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_double_std__allocatorT_double_t_t, 0 |  0 );
4203   if (!SWIG_IsOK(res1)) {
4204     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorDouble___nonzero__" "', argument " "1"" of type '" "std::vector< double > const *""'");  }
4205    arg1 = reinterpret_cast< std::vector< double > * >(argp1);
4206   result = (bool)std_vector_Sl_double_Sg____nonzero__((std::vector< double > const *)arg1); r_ans = Rf_ScalarLogical(result);
4207   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorDouble___len__(SEXP self,SEXP s_swig_copy)4208 SWIGEXPORT SEXP R_swig_vectorDouble___len__ ( SEXP self, SEXP s_swig_copy) { std::vector< double >::size_type result;
4209   std::vector< double > *arg1 = (std::vector< double > *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
4210   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4211   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_double_std__allocatorT_double_t_t, 0 |  0 );
4212   if (!SWIG_IsOK(res1)) {
4213     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorDouble___len__" "', argument " "1"" of type '" "std::vector< double > const *""'");  }
4214    arg1 = reinterpret_cast< std::vector< double > * >(argp1);
4215   result = std_vector_Sl_double_Sg____len__((std::vector< double > const *)arg1);
4216   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorDouble___getslice__(SEXP self,SEXP i,SEXP j)4217 SWIGEXPORT SEXP R_swig_vectorDouble___getslice__ ( SEXP self, SEXP i, SEXP j) {
4218   std::vector< double,std::allocator< double > > *result = 0 ; std::vector< double > *arg1 = (std::vector< double > *) 0 ;
4219   std::vector< double >::difference_type arg2 ; std::vector< double >::difference_type arg3 ; void *argp1 = 0 ; int res1 = 0 ;
4220   int val2 ; int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
4221   VMAXTYPE r_vmax = vmaxget() ;
4222   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_double_std__allocatorT_double_t_t, 0 |  0 );
4223   if (!SWIG_IsOK(res1)) {
4224     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorDouble___getslice__" "', argument " "1"" of type '" "std::vector< double > *""'");  }
4225    arg1 = reinterpret_cast< std::vector< double > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2); if (!SWIG_IsOK(ecode2)) {
4226     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorDouble___getslice__" "', argument " "2"" of type '" "std::vector< double >::difference_type""'"); }
4227     arg2 = static_cast< std::vector< double >::difference_type >(val2); ecode3 = SWIG_AsVal_int(j, &val3);
4228   if (!SWIG_IsOK(ecode3)) {
4229     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vectorDouble___getslice__" "', argument " "3"" of type '" "std::vector< double >::difference_type""'"); }
4230     arg3 = static_cast< std::vector< double >::difference_type >(val3); try {
4231     result = (std::vector< double,std::allocator< double > > *)std_vector_Sl_double_Sg____getslice__(arg1,arg2,arg3);}
4232   catch(std::out_of_range &_e) {   return R_NilValue; ; }
4233   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_double_std__allocatorT_double_t_t, R_SWIG_OWNER |  0 );
4234   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorDouble___setslice__(SEXP self,SEXP i,SEXP j,SEXP v)4235 SWIGEXPORT SEXP R_swig_vectorDouble___setslice__ ( SEXP self, SEXP i, SEXP j, SEXP v) {
4236   std::vector< double > *arg1 = (std::vector< double > *) 0 ; std::vector< double >::difference_type arg2 ;
4237   std::vector< double >::difference_type arg3 ; std::vector< double,std::allocator< double > > *arg4 = 0 ; void *argp1 = 0 ;
4238   int res1 = 0 ; int val2 ; int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; int res4 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0;
4239   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4240   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_double_std__allocatorT_double_t_t, 0 |  0 );
4241   if (!SWIG_IsOK(res1)) {
4242     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorDouble___setslice__" "', argument " "1"" of type '" "std::vector< double > *""'");  }
4243    arg1 = reinterpret_cast< std::vector< double > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2); if (!SWIG_IsOK(ecode2)) {
4244     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorDouble___setslice__" "', argument " "2"" of type '" "std::vector< double >::difference_type""'"); }
4245     arg2 = static_cast< std::vector< double >::difference_type >(val2); ecode3 = SWIG_AsVal_int(j, &val3);
4246   if (!SWIG_IsOK(ecode3)) {
4247     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vectorDouble___setslice__" "', argument " "3"" of type '" "std::vector< double >::difference_type""'"); }
4248     arg3 = static_cast< std::vector< double >::difference_type >(val3); {
4249     std::vector<double,std::allocator< double > > *ptr = (std::vector<double,std::allocator< double > > *)0;
4250     res4 = swig::asptr(v, &ptr); if (!SWIG_IsOK(res4)) {
4251       SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "vectorDouble___setslice__" "', argument " "4"" of type '" "std::vector< double,std::allocator< double > > const &""'"); }
4252      if (!ptr) {
4253       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "vectorDouble___setslice__" "', argument " "4"" of type '" "std::vector< double,std::allocator< double > > const &""'"); }
4254      arg4 = ptr; }  try {
4255     std_vector_Sl_double_Sg____setslice__(arg1,arg2,arg3,(std::vector< double,std::allocator< double > > const &)*arg4);}
4256   catch(std::out_of_range &_e) {   return R_NilValue; ; }  catch(std::invalid_argument &_e) {   return R_NilValue; ; }
4257   r_ans = R_NilValue; if (SWIG_IsNewObj(res4)) delete arg4; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
4258   return r_ans; }
R_swig_vectorDouble___delslice__(SEXP self,SEXP i,SEXP j)4259 SWIGEXPORT SEXP R_swig_vectorDouble___delslice__ ( SEXP self, SEXP i, SEXP j) {
4260   std::vector< double > *arg1 = (std::vector< double > *) 0 ; std::vector< double >::difference_type arg2 ;
4261   std::vector< double >::difference_type arg3 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; int val3 ;
4262   int ecode3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4263   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_double_std__allocatorT_double_t_t, 0 |  0 );
4264   if (!SWIG_IsOK(res1)) {
4265     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorDouble___delslice__" "', argument " "1"" of type '" "std::vector< double > *""'");  }
4266    arg1 = reinterpret_cast< std::vector< double > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2); if (!SWIG_IsOK(ecode2)) {
4267     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorDouble___delslice__" "', argument " "2"" of type '" "std::vector< double >::difference_type""'"); }
4268     arg2 = static_cast< std::vector< double >::difference_type >(val2); ecode3 = SWIG_AsVal_int(j, &val3);
4269   if (!SWIG_IsOK(ecode3)) {
4270     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vectorDouble___delslice__" "', argument " "3"" of type '" "std::vector< double >::difference_type""'"); }
4271     arg3 = static_cast< std::vector< double >::difference_type >(val3); try {
4272     std_vector_Sl_double_Sg____delslice__(arg1,arg2,arg3);}  catch(std::out_of_range &_e) {   return R_NilValue; ; }
4273   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorDouble___delitem__(SEXP self,SEXP i)4274 SWIGEXPORT SEXP R_swig_vectorDouble___delitem__ ( SEXP self, SEXP i) {
4275   std::vector< double > *arg1 = (std::vector< double > *) 0 ; std::vector< double >::difference_type arg2 ; void *argp1 = 0 ;
4276   int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
4277   VMAXTYPE r_vmax = vmaxget() ;
4278   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_double_std__allocatorT_double_t_t, 0 |  0 );
4279   if (!SWIG_IsOK(res1)) {
4280     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorDouble___delitem__" "', argument " "1"" of type '" "std::vector< double > *""'");  }
4281    arg1 = reinterpret_cast< std::vector< double > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2); if (!SWIG_IsOK(ecode2)) {
4282     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorDouble___delitem__" "', argument " "2"" of type '" "std::vector< double >::difference_type""'"); }
4283     arg2 = static_cast< std::vector< double >::difference_type >(val2); try { std_vector_Sl_double_Sg____delitem__(arg1,arg2);}
4284   catch(std::out_of_range &_e) {   return R_NilValue; ; }  r_ans = R_NilValue; vmaxset(r_vmax);
4285   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorDouble___getitem__(SEXP self,SEXP i,SEXP s_swig_copy)4286 SWIGEXPORT SEXP R_swig_vectorDouble___getitem__ ( SEXP self, SEXP i, SEXP s_swig_copy) {
4287   std::vector< double >::value_type *result = 0 ; std::vector< double > *arg1 = (std::vector< double > *) 0 ;
4288   std::vector< double >::difference_type arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ;
4289   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4290   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_double_std__allocatorT_double_t_t, 0 |  0 );
4291   if (!SWIG_IsOK(res1)) {
4292     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorDouble___getitem__" "', argument " "1"" of type '" "std::vector< double > const *""'");  }
4293    arg1 = reinterpret_cast< std::vector< double > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2); if (!SWIG_IsOK(ecode2)) {
4294     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorDouble___getitem__" "', argument " "2"" of type '" "std::vector< double >::difference_type""'"); }
4295     arg2 = static_cast< std::vector< double >::difference_type >(val2); try {
4296     result = (std::vector< double >::value_type *) &std_vector_Sl_double_Sg____getitem__((std::vector< double > const *)arg1,arg2);}
4297    catch(std::out_of_range &_e) {   return R_NilValue; ; }  r_ans = SWIG_From_double(static_cast< double >(*result));
4298   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorDouble___setitem__(SEXP self,SEXP i,SEXP x)4299 SWIGEXPORT SEXP R_swig_vectorDouble___setitem__ ( SEXP self, SEXP i, SEXP x) {
4300   std::vector< double > *arg1 = (std::vector< double > *) 0 ; std::vector< double >::difference_type arg2 ;
4301   std::vector< double >::value_type *arg3 = 0 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ;
4302   std::vector< double >::value_type temp3 ; double val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0;
4303   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4304   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_double_std__allocatorT_double_t_t, 0 |  0 );
4305   if (!SWIG_IsOK(res1)) {
4306     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorDouble___setitem__" "', argument " "1"" of type '" "std::vector< double > *""'");  }
4307    arg1 = reinterpret_cast< std::vector< double > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2); if (!SWIG_IsOK(ecode2)) {
4308     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorDouble___setitem__" "', argument " "2"" of type '" "std::vector< double >::difference_type""'"); }
4309     arg2 = static_cast< std::vector< double >::difference_type >(val2); ecode3 = SWIG_AsVal_double(x, &val3);
4310   if (!SWIG_IsOK(ecode3)) {
4311     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vectorDouble___setitem__" "', argument " "3"" of type '" "std::vector< double >::value_type""'"); }
4312     temp3 = static_cast< std::vector< double >::value_type >(val3); arg3 = &temp3; try {
4313     std_vector_Sl_double_Sg____setitem__(arg1,arg2,(double const &)*arg3);}  catch(std::out_of_range &_e) {   return R_NilValue;
4314     ; }  r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorDouble__SWIG_0()4315 SWIGEXPORT SEXP R_swig_new_vectorDouble__SWIG_0 ( ) { std::vector< double > *result = 0 ; unsigned int r_nprotect = 0;
4316   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (std::vector< double > *)new std::vector< double >();
4317   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_double_std__allocatorT_double_t_t, R_SWIG_OWNER |  0 );
4318   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorDouble__SWIG_1(SEXP s_arg1)4319 SWIGEXPORT SEXP R_swig_new_vectorDouble__SWIG_1 ( SEXP s_arg1) { std::vector< double > *result = 0 ;
4320   std::vector< double > *arg1 = 0 ; int res1 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
4321   VMAXTYPE r_vmax = vmaxget() ; {
4322     std::vector<double,std::allocator< double > > *ptr = (std::vector<double,std::allocator< double > > *)0;
4323     res1 = swig::asptr(s_arg1, &ptr); if (!SWIG_IsOK(res1)) {
4324       SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_vectorDouble" "', argument " "1"" of type '" "std::vector< double > const &""'"); }
4325      if (!ptr) {
4326       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_vectorDouble" "', argument " "1"" of type '" "std::vector< double > const &""'"); }
4327      arg1 = ptr; }  result = (std::vector< double > *)new std::vector< double >((std::vector< double > const &)*arg1);
4328   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_double_std__allocatorT_double_t_t, R_SWIG_OWNER |  0 );
4329   if (SWIG_IsNewObj(res1)) delete arg1; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorDouble_size(SEXP self,SEXP s_swig_copy)4330 SWIGEXPORT SEXP R_swig_vectorDouble_size ( SEXP self, SEXP s_swig_copy) { std::vector< double >::size_type result;
4331   std::vector< double > *arg1 = (std::vector< double > *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
4332   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4333   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_double_std__allocatorT_double_t_t, 0 |  0 );
4334   if (!SWIG_IsOK(res1)) {
4335     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorDouble_size" "', argument " "1"" of type '" "std::vector< double > const *""'");  }
4336    arg1 = reinterpret_cast< std::vector< double > * >(argp1); result = ((std::vector< double > const *)arg1)->size();
4337   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorDouble__SWIG_2(SEXP size)4338 SWIGEXPORT SEXP R_swig_new_vectorDouble__SWIG_2 ( SEXP size) { std::vector< double > *result = 0 ;
4339   std::vector< double >::size_type arg1 ; int val1 ; int ecode1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
4340   VMAXTYPE r_vmax = vmaxget() ; ecode1 = SWIG_AsVal_int(size, &val1); if (!SWIG_IsOK(ecode1)) {
4341     SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "new_vectorDouble" "', argument " "1"" of type '" "std::vector< double >::size_type""'"); }
4342     arg1 = static_cast< std::vector< double >::size_type >(val1);
4343   result = (std::vector< double > *)new std::vector< double >(arg1);
4344   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_double_std__allocatorT_double_t_t, R_SWIG_OWNER |  0 );
4345   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorDouble__SWIG_3(SEXP size,SEXP value)4346 SWIGEXPORT SEXP R_swig_new_vectorDouble__SWIG_3 ( SEXP size, SEXP value) { std::vector< double > *result = 0 ;
4347   std::vector< double >::size_type arg1 ; std::vector< double >::value_type *arg2 = 0 ; int val1 ; int ecode1 = 0 ;
4348   std::vector< double >::value_type temp2 ; double val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0;
4349   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; ecode1 = SWIG_AsVal_int(size, &val1); if (!SWIG_IsOK(ecode1)) {
4350     SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "new_vectorDouble" "', argument " "1"" of type '" "std::vector< double >::size_type""'"); }
4351     arg1 = static_cast< std::vector< double >::size_type >(val1); ecode2 = SWIG_AsVal_double(value, &val2);
4352   if (!SWIG_IsOK(ecode2)) {
4353     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "new_vectorDouble" "', argument " "2"" of type '" "std::vector< double >::value_type""'"); }
4354     temp2 = static_cast< std::vector< double >::value_type >(val2); arg2 = &temp2;
4355   result = (std::vector< double > *)new std::vector< double >(arg1,(std::vector< double >::value_type const &)*arg2);
4356   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_double_std__allocatorT_double_t_t, R_SWIG_OWNER |  0 );
4357   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_vectorDouble(SEXP self)4358 SWIGEXPORT SEXP R_swig_delete_vectorDouble ( SEXP self) { std::vector< double > *arg1 = (std::vector< double > *) 0 ;
4359   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4360   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_double_std__allocatorT_double_t_t, SWIG_POINTER_DISOWN |  0 );
4361   if (!SWIG_IsOK(res1)) {
4362     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_vectorDouble" "', argument " "1"" of type '" "std::vector< double > *""'");  }
4363    arg1 = reinterpret_cast< std::vector< double > * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
4364   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_vectorString___nonzero__(SEXP self,SEXP s_swig_copy)4365 SWIGEXPORT SEXP R_swig_vectorString___nonzero__ ( SEXP self, SEXP s_swig_copy) { bool result;
4366   std::vector< std::string > *arg1 = (std::vector< std::string > *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
4367   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4368   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__string_std__allocatorT_std__string_t_t, 0 |  0 );
4369   if (!SWIG_IsOK(res1)) {
4370     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorString___nonzero__" "', argument " "1"" of type '" "std::vector< std::string > const *""'");  }
4371    arg1 = reinterpret_cast< std::vector< std::string > * >(argp1);
4372   result = (bool)std_vector_Sl_std_string_Sg____nonzero__((std::vector< std::string > const *)arg1);
4373   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorString___len__(SEXP self,SEXP s_swig_copy)4374 SWIGEXPORT SEXP R_swig_vectorString___len__ ( SEXP self, SEXP s_swig_copy) { std::vector< std::string >::size_type result;
4375   std::vector< std::string > *arg1 = (std::vector< std::string > *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
4376   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4377   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__string_std__allocatorT_std__string_t_t, 0 |  0 );
4378   if (!SWIG_IsOK(res1)) {
4379     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorString___len__" "', argument " "1"" of type '" "std::vector< std::string > const *""'");  }
4380    arg1 = reinterpret_cast< std::vector< std::string > * >(argp1);
4381   result = std_vector_Sl_std_string_Sg____len__((std::vector< std::string > const *)arg1);
4382   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorString___getslice__(SEXP self,SEXP i,SEXP j)4383 SWIGEXPORT SEXP R_swig_vectorString___getslice__ ( SEXP self, SEXP i, SEXP j) {
4384   std::vector< std::string,std::allocator< std::string > > *result = 0 ;
4385   std::vector< std::string > *arg1 = (std::vector< std::string > *) 0 ; std::vector< std::string >::difference_type arg2 ;
4386   std::vector< std::string >::difference_type arg3 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; int val3 ;
4387   int ecode3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4388   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__string_std__allocatorT_std__string_t_t, 0 |  0 );
4389   if (!SWIG_IsOK(res1)) {
4390     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorString___getslice__" "', argument " "1"" of type '" "std::vector< std::string > *""'");  }
4391    arg1 = reinterpret_cast< std::vector< std::string > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2); if (!SWIG_IsOK(ecode2)) {
4392     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorString___getslice__" "', argument " "2"" of type '" "std::vector< std::string >::difference_type""'"); }
4393     arg2 = static_cast< std::vector< std::string >::difference_type >(val2); ecode3 = SWIG_AsVal_int(j, &val3);
4394   if (!SWIG_IsOK(ecode3)) {
4395     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vectorString___getslice__" "', argument " "3"" of type '" "std::vector< std::string >::difference_type""'"); }
4396     arg3 = static_cast< std::vector< std::string >::difference_type >(val3); try {
4397     result = (std::vector< std::string,std::allocator< std::string > > *)std_vector_Sl_std_string_Sg____getslice__(arg1,arg2,arg3);}
4398    catch(std::out_of_range &_e) {   return R_NilValue; ; }
4399   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_std__string_std__allocatorT_std__string_t_t, R_SWIG_OWNER |  0 );
4400   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorString___setslice__(SEXP self,SEXP i,SEXP j,SEXP v)4401 SWIGEXPORT SEXP R_swig_vectorString___setslice__ ( SEXP self, SEXP i, SEXP j, SEXP v) {
4402   std::vector< std::string > *arg1 = (std::vector< std::string > *) 0 ; std::vector< std::string >::difference_type arg2 ;
4403   std::vector< std::string >::difference_type arg3 ; std::vector< std::string,std::allocator< std::string > > *arg4 = 0 ;
4404   void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; int res4 = SWIG_OLDOBJ ;
4405   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4406   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__string_std__allocatorT_std__string_t_t, 0 |  0 );
4407   if (!SWIG_IsOK(res1)) {
4408     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorString___setslice__" "', argument " "1"" of type '" "std::vector< std::string > *""'");  }
4409    arg1 = reinterpret_cast< std::vector< std::string > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2); if (!SWIG_IsOK(ecode2)) {
4410     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorString___setslice__" "', argument " "2"" of type '" "std::vector< std::string >::difference_type""'"); }
4411     arg2 = static_cast< std::vector< std::string >::difference_type >(val2); ecode3 = SWIG_AsVal_int(j, &val3);
4412   if (!SWIG_IsOK(ecode3)) {
4413     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vectorString___setslice__" "', argument " "3"" of type '" "std::vector< std::string >::difference_type""'"); }
4414     arg3 = static_cast< std::vector< std::string >::difference_type >(val3); {
4415     std::vector<std::string,std::allocator< std::string > > *ptr = (std::vector<std::string,std::allocator< std::string > > *)0;
4416     res4 = swig::asptr(v, &ptr); if (!SWIG_IsOK(res4)) {
4417       SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "vectorString___setslice__" "', argument " "4"" of type '" "std::vector< std::string,std::allocator< std::string > > const &""'"); }
4418      if (!ptr) {
4419       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "vectorString___setslice__" "', argument " "4"" of type '" "std::vector< std::string,std::allocator< std::string > > const &""'"); }
4420      arg4 = ptr; }  try {
4421     std_vector_Sl_std_string_Sg____setslice__(arg1,arg2,arg3,(std::vector< std::string,std::allocator< std::string > > const &)*arg4);}
4422    catch(std::out_of_range &_e) {   return R_NilValue; ; }  catch(std::invalid_argument &_e) {   return R_NilValue; ; }
4423   r_ans = R_NilValue; if (SWIG_IsNewObj(res4)) delete arg4; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
4424   return r_ans; }
R_swig_vectorString___delslice__(SEXP self,SEXP i,SEXP j)4425 SWIGEXPORT SEXP R_swig_vectorString___delslice__ ( SEXP self, SEXP i, SEXP j) {
4426   std::vector< std::string > *arg1 = (std::vector< std::string > *) 0 ; std::vector< std::string >::difference_type arg2 ;
4427   std::vector< std::string >::difference_type arg3 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; int val3 ;
4428   int ecode3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4429   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__string_std__allocatorT_std__string_t_t, 0 |  0 );
4430   if (!SWIG_IsOK(res1)) {
4431     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorString___delslice__" "', argument " "1"" of type '" "std::vector< std::string > *""'");  }
4432    arg1 = reinterpret_cast< std::vector< std::string > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2); if (!SWIG_IsOK(ecode2)) {
4433     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorString___delslice__" "', argument " "2"" of type '" "std::vector< std::string >::difference_type""'"); }
4434     arg2 = static_cast< std::vector< std::string >::difference_type >(val2); ecode3 = SWIG_AsVal_int(j, &val3);
4435   if (!SWIG_IsOK(ecode3)) {
4436     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vectorString___delslice__" "', argument " "3"" of type '" "std::vector< std::string >::difference_type""'"); }
4437     arg3 = static_cast< std::vector< std::string >::difference_type >(val3); try {
4438     std_vector_Sl_std_string_Sg____delslice__(arg1,arg2,arg3);}  catch(std::out_of_range &_e) {   return R_NilValue; ; }
4439   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorString___delitem__(SEXP self,SEXP i)4440 SWIGEXPORT SEXP R_swig_vectorString___delitem__ ( SEXP self, SEXP i) {
4441   std::vector< std::string > *arg1 = (std::vector< std::string > *) 0 ; std::vector< std::string >::difference_type arg2 ;
4442   void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
4443   VMAXTYPE r_vmax = vmaxget() ;
4444   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__string_std__allocatorT_std__string_t_t, 0 |  0 );
4445   if (!SWIG_IsOK(res1)) {
4446     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorString___delitem__" "', argument " "1"" of type '" "std::vector< std::string > *""'");  }
4447    arg1 = reinterpret_cast< std::vector< std::string > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2); if (!SWIG_IsOK(ecode2)) {
4448     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorString___delitem__" "', argument " "2"" of type '" "std::vector< std::string >::difference_type""'"); }
4449     arg2 = static_cast< std::vector< std::string >::difference_type >(val2); try {
4450     std_vector_Sl_std_string_Sg____delitem__(arg1,arg2);}  catch(std::out_of_range &_e) {   return R_NilValue; ; }
4451   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorString___getitem__(SEXP self,SEXP i,SEXP s_swig_copy)4452 SWIGEXPORT SEXP R_swig_vectorString___getitem__ ( SEXP self, SEXP i, SEXP s_swig_copy) {
4453   std::vector< std::string >::value_type *result = 0 ; std::vector< std::string > *arg1 = (std::vector< std::string > *) 0 ;
4454   std::vector< std::string >::difference_type arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ;
4455   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4456   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__string_std__allocatorT_std__string_t_t, 0 |  0 );
4457   if (!SWIG_IsOK(res1)) {
4458     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorString___getitem__" "', argument " "1"" of type '" "std::vector< std::string > const *""'");  }
4459    arg1 = reinterpret_cast< std::vector< std::string > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2); if (!SWIG_IsOK(ecode2)) {
4460     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorString___getitem__" "', argument " "2"" of type '" "std::vector< std::string >::difference_type""'"); }
4461     arg2 = static_cast< std::vector< std::string >::difference_type >(val2); try {
4462     result = (std::vector< std::string >::value_type *) &std_vector_Sl_std_string_Sg____getitem__((std::vector< std::string > const *)arg1,arg2);}
4463    catch(std::out_of_range &_e) {   return R_NilValue; ; }  r_ans = SWIG_From_std_string(static_cast< std::string >(*result));
4464   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorString___setitem__(SEXP self,SEXP i,SEXP x)4465 SWIGEXPORT SEXP R_swig_vectorString___setitem__ ( SEXP self, SEXP i, SEXP x) {
4466   std::vector< std::string > *arg1 = (std::vector< std::string > *) 0 ; std::vector< std::string >::difference_type arg2 ;
4467   std::vector< std::string >::value_type *arg3 = 0 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ;
4468   int res3 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4469   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__string_std__allocatorT_std__string_t_t, 0 |  0 );
4470   if (!SWIG_IsOK(res1)) {
4471     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorString___setitem__" "', argument " "1"" of type '" "std::vector< std::string > *""'");  }
4472    arg1 = reinterpret_cast< std::vector< std::string > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2); if (!SWIG_IsOK(ecode2)) {
4473     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorString___setitem__" "', argument " "2"" of type '" "std::vector< std::string >::difference_type""'"); }
4474     arg2 = static_cast< std::vector< std::string >::difference_type >(val2); { std::string *ptr = (std::string *)0;
4475     res3 = SWIG_AsPtr_std_string(x, &ptr); if (!SWIG_IsOK(res3)) {
4476       SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "vectorString___setitem__" "', argument " "3"" of type '" "std::vector< std::string >::value_type const &""'"); }
4477      if (!ptr) {
4478       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "vectorString___setitem__" "', argument " "3"" of type '" "std::vector< std::string >::value_type const &""'"); }
4479      arg3 = ptr; }  try { std_vector_Sl_std_string_Sg____setitem__(arg1,arg2,(std::string const &)*arg3);}
4480   catch(std::out_of_range &_e) {   return R_NilValue; ; }  r_ans = R_NilValue; if (SWIG_IsNewObj(res3)) delete arg3;
4481   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorString__SWIG_0()4482 SWIGEXPORT SEXP R_swig_new_vectorString__SWIG_0 ( ) { std::vector< std::string > *result = 0 ; unsigned int r_nprotect = 0;
4483   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4484   result = (std::vector< std::string > *)new std::vector< std::string >();
4485   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_std__string_std__allocatorT_std__string_t_t, R_SWIG_OWNER |  0 );
4486   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorString__SWIG_1(SEXP s_arg1)4487 SWIGEXPORT SEXP R_swig_new_vectorString__SWIG_1 ( SEXP s_arg1) { std::vector< std::string > *result = 0 ;
4488   std::vector< std::string > *arg1 = 0 ; int res1 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
4489   VMAXTYPE r_vmax = vmaxget() ; {
4490     std::vector<std::string,std::allocator< std::string > > *ptr = (std::vector<std::string,std::allocator< std::string > > *)0;
4491     res1 = swig::asptr(s_arg1, &ptr); if (!SWIG_IsOK(res1)) {
4492       SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_vectorString" "', argument " "1"" of type '" "std::vector< std::string > const &""'"); }
4493      if (!ptr) {
4494       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_vectorString" "', argument " "1"" of type '" "std::vector< std::string > const &""'"); }
4495      arg1 = ptr; }
4496   result = (std::vector< std::string > *)new std::vector< std::string >((std::vector< std::string > const &)*arg1);
4497   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_std__string_std__allocatorT_std__string_t_t, R_SWIG_OWNER |  0 );
4498   if (SWIG_IsNewObj(res1)) delete arg1; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorString_size(SEXP self,SEXP s_swig_copy)4499 SWIGEXPORT SEXP R_swig_vectorString_size ( SEXP self, SEXP s_swig_copy) { std::vector< std::string >::size_type result;
4500   std::vector< std::string > *arg1 = (std::vector< std::string > *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
4501   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4502   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__string_std__allocatorT_std__string_t_t, 0 |  0 );
4503   if (!SWIG_IsOK(res1)) {
4504     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorString_size" "', argument " "1"" of type '" "std::vector< std::string > const *""'");  }
4505    arg1 = reinterpret_cast< std::vector< std::string > * >(argp1); result = ((std::vector< std::string > const *)arg1)->size();
4506   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorString__SWIG_2(SEXP size)4507 SWIGEXPORT SEXP R_swig_new_vectorString__SWIG_2 ( SEXP size) { std::vector< std::string > *result = 0 ;
4508   std::vector< std::string >::size_type arg1 ; int val1 ; int ecode1 = 0 ; unsigned int r_nprotect = 0;
4509   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; ecode1 = SWIG_AsVal_int(size, &val1); if (!SWIG_IsOK(ecode1)) {
4510     SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "new_vectorString" "', argument " "1"" of type '" "std::vector< std::string >::size_type""'"); }
4511     arg1 = static_cast< std::vector< std::string >::size_type >(val1);
4512   result = (std::vector< std::string > *)new std::vector< std::string >(arg1);
4513   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_std__string_std__allocatorT_std__string_t_t, R_SWIG_OWNER |  0 );
4514   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorString__SWIG_3(SEXP size,SEXP value)4515 SWIGEXPORT SEXP R_swig_new_vectorString__SWIG_3 ( SEXP size, SEXP value) { std::vector< std::string > *result = 0 ;
4516   std::vector< std::string >::size_type arg1 ; std::vector< std::string >::value_type *arg2 = 0 ; int val1 ; int ecode1 = 0 ;
4517   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4518   ecode1 = SWIG_AsVal_int(size, &val1); if (!SWIG_IsOK(ecode1)) {
4519     SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "new_vectorString" "', argument " "1"" of type '" "std::vector< std::string >::size_type""'"); }
4520     arg1 = static_cast< std::vector< std::string >::size_type >(val1); { std::string *ptr = (std::string *)0;
4521     res2 = SWIG_AsPtr_std_string(value, &ptr); if (!SWIG_IsOK(res2)) {
4522       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_vectorString" "', argument " "2"" of type '" "std::vector< std::string >::value_type const &""'"); }
4523      if (!ptr) {
4524       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_vectorString" "', argument " "2"" of type '" "std::vector< std::string >::value_type const &""'"); }
4525      arg2 = ptr; }
4526   result = (std::vector< std::string > *)new std::vector< std::string >(arg1,(std::vector< std::string >::value_type const &)*arg2);
4527   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_std__string_std__allocatorT_std__string_t_t, R_SWIG_OWNER |  0 );
4528   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_vectorString(SEXP self)4529 SWIGEXPORT SEXP R_swig_delete_vectorString ( SEXP self) { std::vector< std::string > *arg1 = (std::vector< std::string > *) 0 ;
4530   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4531   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__string_std__allocatorT_std__string_t_t, SWIG_POINTER_DISOWN |  0 );
4532   if (!SWIG_IsOK(res1)) {
4533     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_vectorString" "', argument " "1"" of type '" "std::vector< std::string > *""'");  }
4534    arg1 = reinterpret_cast< std::vector< std::string > * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
4535   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_vectorVector3___nonzero__(SEXP self,SEXP s_swig_copy)4536 SWIGEXPORT SEXP R_swig_vectorVector3___nonzero__ ( SEXP self, SEXP s_swig_copy) { bool result;
4537   std::vector< OpenBabel::vector3 > *arg1 = (std::vector< OpenBabel::vector3 > *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
4538   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4539   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t, 0 |  0 );
4540   if (!SWIG_IsOK(res1)) {
4541     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorVector3___nonzero__" "', argument " "1"" of type '" "std::vector< OpenBabel::vector3 > const *""'");  }
4542    arg1 = reinterpret_cast< std::vector< OpenBabel::vector3 > * >(argp1);
4543   result = (bool)std_vector_Sl_OpenBabel_vector3_Sg____nonzero__((std::vector< OpenBabel::vector3 > const *)arg1);
4544   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorVector3___len__(SEXP self,SEXP s_swig_copy)4545 SWIGEXPORT SEXP R_swig_vectorVector3___len__ ( SEXP self, SEXP s_swig_copy) {
4546   std::vector< OpenBabel::vector3 >::size_type result;
4547   std::vector< OpenBabel::vector3 > *arg1 = (std::vector< OpenBabel::vector3 > *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
4548   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4549   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t, 0 |  0 );
4550   if (!SWIG_IsOK(res1)) {
4551     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorVector3___len__" "', argument " "1"" of type '" "std::vector< OpenBabel::vector3 > const *""'");  }
4552    arg1 = reinterpret_cast< std::vector< OpenBabel::vector3 > * >(argp1);
4553   result = std_vector_Sl_OpenBabel_vector3_Sg____len__((std::vector< OpenBabel::vector3 > const *)arg1);
4554   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorVector3___getslice__(SEXP self,SEXP i,SEXP j)4555 SWIGEXPORT SEXP R_swig_vectorVector3___getslice__ ( SEXP self, SEXP i, SEXP j) {
4556   std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > *result = 0 ;
4557   std::vector< OpenBabel::vector3 > *arg1 = (std::vector< OpenBabel::vector3 > *) 0 ;
4558   std::vector< OpenBabel::vector3 >::difference_type arg2 ; std::vector< OpenBabel::vector3 >::difference_type arg3 ;
4559   void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0;
4560   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4561   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t, 0 |  0 );
4562   if (!SWIG_IsOK(res1)) {
4563     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorVector3___getslice__" "', argument " "1"" of type '" "std::vector< OpenBabel::vector3 > *""'");  }
4564    arg1 = reinterpret_cast< std::vector< OpenBabel::vector3 > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
4565   if (!SWIG_IsOK(ecode2)) {
4566     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorVector3___getslice__" "', argument " "2"" of type '" "std::vector< OpenBabel::vector3 >::difference_type""'"); }
4567     arg2 = static_cast< std::vector< OpenBabel::vector3 >::difference_type >(val2); ecode3 = SWIG_AsVal_int(j, &val3);
4568   if (!SWIG_IsOK(ecode3)) {
4569     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vectorVector3___getslice__" "', argument " "3"" of type '" "std::vector< OpenBabel::vector3 >::difference_type""'"); }
4570     arg3 = static_cast< std::vector< OpenBabel::vector3 >::difference_type >(val3); try {
4571     result = (std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > *)std_vector_Sl_OpenBabel_vector3_Sg____getslice__(arg1,arg2,arg3);}
4572    catch(std::out_of_range &_e) {   return R_NilValue; ; }
4573   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t, R_SWIG_OWNER |  0 );
4574   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorVector3___setslice__(SEXP self,SEXP i,SEXP j,SEXP v)4575 SWIGEXPORT SEXP R_swig_vectorVector3___setslice__ ( SEXP self, SEXP i, SEXP j, SEXP v) {
4576   std::vector< OpenBabel::vector3 > *arg1 = (std::vector< OpenBabel::vector3 > *) 0 ;
4577   std::vector< OpenBabel::vector3 >::difference_type arg2 ; std::vector< OpenBabel::vector3 >::difference_type arg3 ;
4578   std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > *arg4 = 0 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ;
4579   int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; int res4 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
4580   VMAXTYPE r_vmax = vmaxget() ;
4581   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t, 0 |  0 );
4582   if (!SWIG_IsOK(res1)) {
4583     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorVector3___setslice__" "', argument " "1"" of type '" "std::vector< OpenBabel::vector3 > *""'");  }
4584    arg1 = reinterpret_cast< std::vector< OpenBabel::vector3 > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
4585   if (!SWIG_IsOK(ecode2)) {
4586     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorVector3___setslice__" "', argument " "2"" of type '" "std::vector< OpenBabel::vector3 >::difference_type""'"); }
4587     arg2 = static_cast< std::vector< OpenBabel::vector3 >::difference_type >(val2); ecode3 = SWIG_AsVal_int(j, &val3);
4588   if (!SWIG_IsOK(ecode3)) {
4589     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vectorVector3___setslice__" "', argument " "3"" of type '" "std::vector< OpenBabel::vector3 >::difference_type""'"); }
4590     arg3 = static_cast< std::vector< OpenBabel::vector3 >::difference_type >(val3); {
4591     std::vector<OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > *ptr = (std::vector<OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > *)0;
4592     res4 = swig::asptr(v, &ptr); if (!SWIG_IsOK(res4)) {
4593       SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "vectorVector3___setslice__" "', argument " "4"" of type '" "std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > const &""'"); }
4594      if (!ptr) {
4595       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "vectorVector3___setslice__" "', argument " "4"" of type '" "std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > const &""'"); }
4596      arg4 = ptr; }  try {
4597     std_vector_Sl_OpenBabel_vector3_Sg____setslice__(arg1,arg2,arg3,(std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > const &)*arg4);}
4598    catch(std::out_of_range &_e) {   return R_NilValue; ; }  catch(std::invalid_argument &_e) {   return R_NilValue; ; }
4599   r_ans = R_NilValue; if (SWIG_IsNewObj(res4)) delete arg4; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
4600   return r_ans; }
R_swig_vectorVector3___delslice__(SEXP self,SEXP i,SEXP j)4601 SWIGEXPORT SEXP R_swig_vectorVector3___delslice__ ( SEXP self, SEXP i, SEXP j) {
4602   std::vector< OpenBabel::vector3 > *arg1 = (std::vector< OpenBabel::vector3 > *) 0 ;
4603   std::vector< OpenBabel::vector3 >::difference_type arg2 ; std::vector< OpenBabel::vector3 >::difference_type arg3 ;
4604   void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0;
4605   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4606   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t, 0 |  0 );
4607   if (!SWIG_IsOK(res1)) {
4608     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorVector3___delslice__" "', argument " "1"" of type '" "std::vector< OpenBabel::vector3 > *""'");  }
4609    arg1 = reinterpret_cast< std::vector< OpenBabel::vector3 > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
4610   if (!SWIG_IsOK(ecode2)) {
4611     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorVector3___delslice__" "', argument " "2"" of type '" "std::vector< OpenBabel::vector3 >::difference_type""'"); }
4612     arg2 = static_cast< std::vector< OpenBabel::vector3 >::difference_type >(val2); ecode3 = SWIG_AsVal_int(j, &val3);
4613   if (!SWIG_IsOK(ecode3)) {
4614     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vectorVector3___delslice__" "', argument " "3"" of type '" "std::vector< OpenBabel::vector3 >::difference_type""'"); }
4615     arg3 = static_cast< std::vector< OpenBabel::vector3 >::difference_type >(val3); try {
4616     std_vector_Sl_OpenBabel_vector3_Sg____delslice__(arg1,arg2,arg3);}  catch(std::out_of_range &_e) {   return R_NilValue; ; }
4617   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorVector3___delitem__(SEXP self,SEXP i)4618 SWIGEXPORT SEXP R_swig_vectorVector3___delitem__ ( SEXP self, SEXP i) {
4619   std::vector< OpenBabel::vector3 > *arg1 = (std::vector< OpenBabel::vector3 > *) 0 ;
4620   std::vector< OpenBabel::vector3 >::difference_type arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ;
4621   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4622   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t, 0 |  0 );
4623   if (!SWIG_IsOK(res1)) {
4624     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorVector3___delitem__" "', argument " "1"" of type '" "std::vector< OpenBabel::vector3 > *""'");  }
4625    arg1 = reinterpret_cast< std::vector< OpenBabel::vector3 > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
4626   if (!SWIG_IsOK(ecode2)) {
4627     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorVector3___delitem__" "', argument " "2"" of type '" "std::vector< OpenBabel::vector3 >::difference_type""'"); }
4628     arg2 = static_cast< std::vector< OpenBabel::vector3 >::difference_type >(val2); try {
4629     std_vector_Sl_OpenBabel_vector3_Sg____delitem__(arg1,arg2);}  catch(std::out_of_range &_e) {   return R_NilValue; ; }
4630   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorVector3___getitem__(SEXP self,SEXP i,SEXP s_swig_copy)4631 SWIGEXPORT SEXP R_swig_vectorVector3___getitem__ ( SEXP self, SEXP i, SEXP s_swig_copy) {
4632   std::vector< OpenBabel::vector3 >::value_type *result = 0 ;
4633   std::vector< OpenBabel::vector3 > *arg1 = (std::vector< OpenBabel::vector3 > *) 0 ;
4634   std::vector< OpenBabel::vector3 >::difference_type arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ;
4635   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4636   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t, 0 |  0 );
4637   if (!SWIG_IsOK(res1)) {
4638     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorVector3___getitem__" "', argument " "1"" of type '" "std::vector< OpenBabel::vector3 > const *""'");  }
4639    arg1 = reinterpret_cast< std::vector< OpenBabel::vector3 > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
4640   if (!SWIG_IsOK(ecode2)) {
4641     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorVector3___getitem__" "', argument " "2"" of type '" "std::vector< OpenBabel::vector3 >::difference_type""'"); }
4642     arg2 = static_cast< std::vector< OpenBabel::vector3 >::difference_type >(val2); try {
4643     result = (std::vector< OpenBabel::vector3 >::value_type *) &std_vector_Sl_OpenBabel_vector3_Sg____getitem__((std::vector< OpenBabel::vector3 > const *)arg1,arg2);}
4644    catch(std::out_of_range &_e) {   return R_NilValue; ; }
4645   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__vector3, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
4646   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorVector3___setitem__(SEXP self,SEXP i,SEXP x)4647 SWIGEXPORT SEXP R_swig_vectorVector3___setitem__ ( SEXP self, SEXP i, SEXP x) {
4648   std::vector< OpenBabel::vector3 > *arg1 = (std::vector< OpenBabel::vector3 > *) 0 ;
4649   std::vector< OpenBabel::vector3 >::difference_type arg2 ; std::vector< OpenBabel::vector3 >::value_type *arg3 = 0 ;
4650   void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; void *argp3 ; int res3 = 0 ; unsigned int r_nprotect = 0;
4651   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4652   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t, 0 |  0 );
4653   if (!SWIG_IsOK(res1)) {
4654     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorVector3___setitem__" "', argument " "1"" of type '" "std::vector< OpenBabel::vector3 > *""'");  }
4655    arg1 = reinterpret_cast< std::vector< OpenBabel::vector3 > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
4656   if (!SWIG_IsOK(ecode2)) {
4657     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorVector3___setitem__" "', argument " "2"" of type '" "std::vector< OpenBabel::vector3 >::difference_type""'"); }
4658     arg2 = static_cast< std::vector< OpenBabel::vector3 >::difference_type >(val2);
4659   res3 = SWIG_R_ConvertPtr(x, &argp3, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res3)) {
4660     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "vectorVector3___setitem__" "', argument " "3"" of type '" "std::vector< OpenBabel::vector3 >::value_type const &""'");  }
4661    if (!argp3) {
4662     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "vectorVector3___setitem__" "', argument " "3"" of type '" "std::vector< OpenBabel::vector3 >::value_type const &""'"); }
4663    arg3 = reinterpret_cast< std::vector< OpenBabel::vector3 >::value_type * >(argp3); try {
4664     std_vector_Sl_OpenBabel_vector3_Sg____setitem__(arg1,arg2,(OpenBabel::vector3 const &)*arg3);}
4665   catch(std::out_of_range &_e) {   return R_NilValue; ; }  r_ans = R_NilValue; vmaxset(r_vmax);
4666   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorVector3__SWIG_0()4667 SWIGEXPORT SEXP R_swig_new_vectorVector3__SWIG_0 ( ) { std::vector< OpenBabel::vector3 > *result = 0 ;
4668   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4669   result = (std::vector< OpenBabel::vector3 > *)new std::vector< OpenBabel::vector3 >();
4670   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t, R_SWIG_OWNER |  0 );
4671   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorVector3__SWIG_1(SEXP s_arg1)4672 SWIGEXPORT SEXP R_swig_new_vectorVector3__SWIG_1 ( SEXP s_arg1) { std::vector< OpenBabel::vector3 > *result = 0 ;
4673   std::vector< OpenBabel::vector3 > *arg1 = 0 ; int res1 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
4674   VMAXTYPE r_vmax = vmaxget() ; {
4675     std::vector<OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > *ptr = (std::vector<OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > *)0;
4676     res1 = swig::asptr(s_arg1, &ptr); if (!SWIG_IsOK(res1)) {
4677       SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_vectorVector3" "', argument " "1"" of type '" "std::vector< OpenBabel::vector3 > const &""'"); }
4678      if (!ptr) {
4679       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_vectorVector3" "', argument " "1"" of type '" "std::vector< OpenBabel::vector3 > const &""'"); }
4680      arg1 = ptr; }
4681   result = (std::vector< OpenBabel::vector3 > *)new std::vector< OpenBabel::vector3 >((std::vector< OpenBabel::vector3 > const &)*arg1);
4682   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t, R_SWIG_OWNER |  0 );
4683   if (SWIG_IsNewObj(res1)) delete arg1; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorVector3_size(SEXP self,SEXP s_swig_copy)4684 SWIGEXPORT SEXP R_swig_vectorVector3_size ( SEXP self, SEXP s_swig_copy) { std::vector< OpenBabel::vector3 >::size_type result;
4685   std::vector< OpenBabel::vector3 > *arg1 = (std::vector< OpenBabel::vector3 > *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
4686   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4687   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t, 0 |  0 );
4688   if (!SWIG_IsOK(res1)) {
4689     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorVector3_size" "', argument " "1"" of type '" "std::vector< OpenBabel::vector3 > const *""'");  }
4690    arg1 = reinterpret_cast< std::vector< OpenBabel::vector3 > * >(argp1);
4691   result = ((std::vector< OpenBabel::vector3 > const *)arg1)->size(); r_ans = SWIG_From_int(static_cast< int >(result));
4692   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorVector3__SWIG_2(SEXP size)4693 SWIGEXPORT SEXP R_swig_new_vectorVector3__SWIG_2 ( SEXP size) { std::vector< OpenBabel::vector3 > *result = 0 ;
4694   std::vector< OpenBabel::vector3 >::size_type arg1 ; int val1 ; int ecode1 = 0 ; unsigned int r_nprotect = 0;
4695   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; ecode1 = SWIG_AsVal_int(size, &val1); if (!SWIG_IsOK(ecode1)) {
4696     SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "new_vectorVector3" "', argument " "1"" of type '" "std::vector< OpenBabel::vector3 >::size_type""'"); }
4697     arg1 = static_cast< std::vector< OpenBabel::vector3 >::size_type >(val1);
4698   result = (std::vector< OpenBabel::vector3 > *)new std::vector< OpenBabel::vector3 >(arg1);
4699   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t, R_SWIG_OWNER |  0 );
4700   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorVector3__SWIG_3(SEXP size,SEXP value)4701 SWIGEXPORT SEXP R_swig_new_vectorVector3__SWIG_3 ( SEXP size, SEXP value) { std::vector< OpenBabel::vector3 > *result = 0 ;
4702   std::vector< OpenBabel::vector3 >::size_type arg1 ; std::vector< OpenBabel::vector3 >::value_type *arg2 = 0 ; int val1 ;
4703   int ecode1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
4704   VMAXTYPE r_vmax = vmaxget() ; ecode1 = SWIG_AsVal_int(size, &val1); if (!SWIG_IsOK(ecode1)) {
4705     SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "new_vectorVector3" "', argument " "1"" of type '" "std::vector< OpenBabel::vector3 >::size_type""'"); }
4706     arg1 = static_cast< std::vector< OpenBabel::vector3 >::size_type >(val1);
4707   res2 = SWIG_R_ConvertPtr(value, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
4708     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_vectorVector3" "', argument " "2"" of type '" "std::vector< OpenBabel::vector3 >::value_type const &""'");  }
4709    if (!argp2) {
4710     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_vectorVector3" "', argument " "2"" of type '" "std::vector< OpenBabel::vector3 >::value_type const &""'"); }
4711    arg2 = reinterpret_cast< std::vector< OpenBabel::vector3 >::value_type * >(argp2);
4712   result = (std::vector< OpenBabel::vector3 > *)new std::vector< OpenBabel::vector3 >(arg1,(std::vector< OpenBabel::vector3 >::value_type const &)*arg2);
4713   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t, R_SWIG_OWNER |  0 );
4714   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_vectorVector3(SEXP self)4715 SWIGEXPORT SEXP R_swig_delete_vectorVector3 ( SEXP self) {
4716   std::vector< OpenBabel::vector3 > *arg1 = (std::vector< OpenBabel::vector3 > *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
4717   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4718   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t, SWIG_POINTER_DISOWN |  0 );
4719   if (!SWIG_IsOK(res1)) {
4720     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_vectorVector3" "', argument " "1"" of type '" "std::vector< OpenBabel::vector3 > *""'");  }
4721    arg1 = reinterpret_cast< std::vector< OpenBabel::vector3 > * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
4722   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_vectorvVector3___nonzero__(SEXP self,SEXP s_swig_copy)4723 SWIGEXPORT SEXP R_swig_vectorvVector3___nonzero__ ( SEXP self, SEXP s_swig_copy) { bool result;
4724   std::vector< std::vector< OpenBabel::vector3 > > *arg1 = (std::vector< std::vector< OpenBabel::vector3 > > *) 0 ;
4725   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4726   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_std__allocatorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_t_t, 0 |  0 );
4727   if (!SWIG_IsOK(res1)) {
4728     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorvVector3___nonzero__" "', argument " "1"" of type '" "std::vector< std::vector< OpenBabel::vector3 > > const *""'");  }
4729    arg1 = reinterpret_cast< std::vector< std::vector< OpenBabel::vector3 > > * >(argp1);
4730   result = (bool)std_vector_Sl_std_vector_Sl_OpenBabel_vector3_Sg__Sg____nonzero__((std::vector< std::vector< OpenBabel::vector3 > > const *)arg1);
4731   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorvVector3___len__(SEXP self,SEXP s_swig_copy)4732 SWIGEXPORT SEXP R_swig_vectorvVector3___len__ ( SEXP self, SEXP s_swig_copy) {
4733   std::vector< std::vector< OpenBabel::vector3 > >::size_type result;
4734   std::vector< std::vector< OpenBabel::vector3 > > *arg1 = (std::vector< std::vector< OpenBabel::vector3 > > *) 0 ;
4735   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4736   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_std__allocatorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_t_t, 0 |  0 );
4737   if (!SWIG_IsOK(res1)) {
4738     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorvVector3___len__" "', argument " "1"" of type '" "std::vector< std::vector< OpenBabel::vector3 > > const *""'");  }
4739    arg1 = reinterpret_cast< std::vector< std::vector< OpenBabel::vector3 > > * >(argp1);
4740   result = std_vector_Sl_std_vector_Sl_OpenBabel_vector3_Sg__Sg____len__((std::vector< std::vector< OpenBabel::vector3 > > const *)arg1);
4741   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorvVector3___getslice__(SEXP self,SEXP i,SEXP j)4742 SWIGEXPORT SEXP R_swig_vectorvVector3___getslice__ ( SEXP self, SEXP i, SEXP j) {
4743   std::vector< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > > *result = 0 ;
4744   std::vector< std::vector< OpenBabel::vector3 > > *arg1 = (std::vector< std::vector< OpenBabel::vector3 > > *) 0 ;
4745   std::vector< std::vector< OpenBabel::vector3 > >::difference_type arg2 ;
4746   std::vector< std::vector< OpenBabel::vector3 > >::difference_type arg3 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ;
4747   int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
4748   VMAXTYPE r_vmax = vmaxget() ;
4749   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_std__allocatorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_t_t, 0 |  0 );
4750   if (!SWIG_IsOK(res1)) {
4751     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorvVector3___getslice__" "', argument " "1"" of type '" "std::vector< std::vector< OpenBabel::vector3 > > *""'");  }
4752    arg1 = reinterpret_cast< std::vector< std::vector< OpenBabel::vector3 > > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
4753   if (!SWIG_IsOK(ecode2)) {
4754     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorvVector3___getslice__" "', argument " "2"" of type '" "std::vector< std::vector< OpenBabel::vector3 > >::difference_type""'"); }
4755     arg2 = static_cast< std::vector< std::vector< OpenBabel::vector3 > >::difference_type >(val2);
4756   ecode3 = SWIG_AsVal_int(j, &val3); if (!SWIG_IsOK(ecode3)) {
4757     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vectorvVector3___getslice__" "', argument " "3"" of type '" "std::vector< std::vector< OpenBabel::vector3 > >::difference_type""'"); }
4758     arg3 = static_cast< std::vector< std::vector< OpenBabel::vector3 > >::difference_type >(val3); try {
4759     result = (std::vector< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > > *)std_vector_Sl_std_vector_Sl_OpenBabel_vector3_Sg__Sg____getslice__(arg1,arg2,arg3);}
4760    catch(std::out_of_range &_e) {   return R_NilValue; ; }
4761   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_std__allocatorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_t_t, R_SWIG_OWNER |  0 );
4762   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorvVector3___setslice__(SEXP self,SEXP i,SEXP j,SEXP v)4763 SWIGEXPORT SEXP R_swig_vectorvVector3___setslice__ ( SEXP self, SEXP i, SEXP j, SEXP v) {
4764   std::vector< std::vector< OpenBabel::vector3 > > *arg1 = (std::vector< std::vector< OpenBabel::vector3 > > *) 0 ;
4765   std::vector< std::vector< OpenBabel::vector3 > >::difference_type arg2 ;
4766   std::vector< std::vector< OpenBabel::vector3 > >::difference_type arg3 ;
4767   std::vector< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > > *arg4 = 0 ;
4768   void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; int res4 = SWIG_OLDOBJ ;
4769   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4770   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_std__allocatorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_t_t, 0 |  0 );
4771   if (!SWIG_IsOK(res1)) {
4772     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorvVector3___setslice__" "', argument " "1"" of type '" "std::vector< std::vector< OpenBabel::vector3 > > *""'");  }
4773    arg1 = reinterpret_cast< std::vector< std::vector< OpenBabel::vector3 > > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
4774   if (!SWIG_IsOK(ecode2)) {
4775     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorvVector3___setslice__" "', argument " "2"" of type '" "std::vector< std::vector< OpenBabel::vector3 > >::difference_type""'"); }
4776     arg2 = static_cast< std::vector< std::vector< OpenBabel::vector3 > >::difference_type >(val2);
4777   ecode3 = SWIG_AsVal_int(j, &val3); if (!SWIG_IsOK(ecode3)) {
4778     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vectorvVector3___setslice__" "', argument " "3"" of type '" "std::vector< std::vector< OpenBabel::vector3 > >::difference_type""'"); }
4779     arg3 = static_cast< std::vector< std::vector< OpenBabel::vector3 > >::difference_type >(val3); {
4780     std::vector<std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > > *ptr = (std::vector<std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > > *)0;
4781     res4 = swig::asptr(v, &ptr); if (!SWIG_IsOK(res4)) {
4782       SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "vectorvVector3___setslice__" "', argument " "4"" of type '" "std::vector< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > > const &""'"); }
4783      if (!ptr) {
4784       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "vectorvVector3___setslice__" "', argument " "4"" of type '" "std::vector< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > > const &""'"); }
4785      arg4 = ptr; }  try {
4786     std_vector_Sl_std_vector_Sl_OpenBabel_vector3_Sg__Sg____setslice__(arg1,arg2,arg3,(std::vector< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > > const &)*arg4);}
4787    catch(std::out_of_range &_e) {   return R_NilValue; ; }  catch(std::invalid_argument &_e) {   return R_NilValue; ; }
4788   r_ans = R_NilValue; if (SWIG_IsNewObj(res4)) delete arg4; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
4789   return r_ans; }
R_swig_vectorvVector3___delslice__(SEXP self,SEXP i,SEXP j)4790 SWIGEXPORT SEXP R_swig_vectorvVector3___delslice__ ( SEXP self, SEXP i, SEXP j) {
4791   std::vector< std::vector< OpenBabel::vector3 > > *arg1 = (std::vector< std::vector< OpenBabel::vector3 > > *) 0 ;
4792   std::vector< std::vector< OpenBabel::vector3 > >::difference_type arg2 ;
4793   std::vector< std::vector< OpenBabel::vector3 > >::difference_type arg3 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ;
4794   int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
4795   VMAXTYPE r_vmax = vmaxget() ;
4796   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_std__allocatorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_t_t, 0 |  0 );
4797   if (!SWIG_IsOK(res1)) {
4798     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorvVector3___delslice__" "', argument " "1"" of type '" "std::vector< std::vector< OpenBabel::vector3 > > *""'");  }
4799    arg1 = reinterpret_cast< std::vector< std::vector< OpenBabel::vector3 > > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
4800   if (!SWIG_IsOK(ecode2)) {
4801     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorvVector3___delslice__" "', argument " "2"" of type '" "std::vector< std::vector< OpenBabel::vector3 > >::difference_type""'"); }
4802     arg2 = static_cast< std::vector< std::vector< OpenBabel::vector3 > >::difference_type >(val2);
4803   ecode3 = SWIG_AsVal_int(j, &val3); if (!SWIG_IsOK(ecode3)) {
4804     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vectorvVector3___delslice__" "', argument " "3"" of type '" "std::vector< std::vector< OpenBabel::vector3 > >::difference_type""'"); }
4805     arg3 = static_cast< std::vector< std::vector< OpenBabel::vector3 > >::difference_type >(val3); try {
4806     std_vector_Sl_std_vector_Sl_OpenBabel_vector3_Sg__Sg____delslice__(arg1,arg2,arg3);}  catch(std::out_of_range &_e) {
4807     return R_NilValue; ; }  r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorvVector3___delitem__(SEXP self,SEXP i)4808 SWIGEXPORT SEXP R_swig_vectorvVector3___delitem__ ( SEXP self, SEXP i) {
4809   std::vector< std::vector< OpenBabel::vector3 > > *arg1 = (std::vector< std::vector< OpenBabel::vector3 > > *) 0 ;
4810   std::vector< std::vector< OpenBabel::vector3 > >::difference_type arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ;
4811   int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4812   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_std__allocatorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_t_t, 0 |  0 );
4813   if (!SWIG_IsOK(res1)) {
4814     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorvVector3___delitem__" "', argument " "1"" of type '" "std::vector< std::vector< OpenBabel::vector3 > > *""'");  }
4815    arg1 = reinterpret_cast< std::vector< std::vector< OpenBabel::vector3 > > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
4816   if (!SWIG_IsOK(ecode2)) {
4817     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorvVector3___delitem__" "', argument " "2"" of type '" "std::vector< std::vector< OpenBabel::vector3 > >::difference_type""'"); }
4818     arg2 = static_cast< std::vector< std::vector< OpenBabel::vector3 > >::difference_type >(val2); try {
4819     std_vector_Sl_std_vector_Sl_OpenBabel_vector3_Sg__Sg____delitem__(arg1,arg2);}  catch(std::out_of_range &_e) {
4820     return R_NilValue; ; }  r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorvVector3___getitem__(SEXP self,SEXP i,SEXP s_swig_copy)4821 SWIGEXPORT SEXP R_swig_vectorvVector3___getitem__ ( SEXP self, SEXP i, SEXP s_swig_copy) {
4822   std::vector< std::vector< OpenBabel::vector3 > >::value_type *result = 0 ;
4823   std::vector< std::vector< OpenBabel::vector3 > > *arg1 = (std::vector< std::vector< OpenBabel::vector3 > > *) 0 ;
4824   std::vector< std::vector< OpenBabel::vector3 > >::difference_type arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ;
4825   int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4826   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_std__allocatorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_t_t, 0 |  0 );
4827   if (!SWIG_IsOK(res1)) {
4828     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorvVector3___getitem__" "', argument " "1"" of type '" "std::vector< std::vector< OpenBabel::vector3 > > const *""'");  }
4829    arg1 = reinterpret_cast< std::vector< std::vector< OpenBabel::vector3 > > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
4830   if (!SWIG_IsOK(ecode2)) {
4831     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorvVector3___getitem__" "', argument " "2"" of type '" "std::vector< std::vector< OpenBabel::vector3 > >::difference_type""'"); }
4832     arg2 = static_cast< std::vector< std::vector< OpenBabel::vector3 > >::difference_type >(val2); try {
4833     result = (std::vector< std::vector< OpenBabel::vector3 > >::value_type *) &std_vector_Sl_std_vector_Sl_OpenBabel_vector3_Sg__Sg____getitem__((std::vector< std::vector< OpenBabel::vector3 > > const *)arg1,arg2);}
4834    catch(std::out_of_range &_e) {   return R_NilValue; ; }
4835   r_ans = swig::from(static_cast< std::vector<OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > >(*result));
4836   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorvVector3___setitem__(SEXP self,SEXP i,SEXP x)4837 SWIGEXPORT SEXP R_swig_vectorvVector3___setitem__ ( SEXP self, SEXP i, SEXP x) {
4838   std::vector< std::vector< OpenBabel::vector3 > > *arg1 = (std::vector< std::vector< OpenBabel::vector3 > > *) 0 ;
4839   std::vector< std::vector< OpenBabel::vector3 > >::difference_type arg2 ;
4840   std::vector< std::vector< OpenBabel::vector3 > >::value_type *arg3 = 0 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ;
4841   int ecode2 = 0 ; int res3 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4842   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_std__allocatorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_t_t, 0 |  0 );
4843   if (!SWIG_IsOK(res1)) {
4844     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorvVector3___setitem__" "', argument " "1"" of type '" "std::vector< std::vector< OpenBabel::vector3 > > *""'");  }
4845    arg1 = reinterpret_cast< std::vector< std::vector< OpenBabel::vector3 > > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
4846   if (!SWIG_IsOK(ecode2)) {
4847     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorvVector3___setitem__" "', argument " "2"" of type '" "std::vector< std::vector< OpenBabel::vector3 > >::difference_type""'"); }
4848     arg2 = static_cast< std::vector< std::vector< OpenBabel::vector3 > >::difference_type >(val2); {
4849     std::vector<OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > *ptr = (std::vector<OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > *)0;
4850     res3 = swig::asptr(x, &ptr); if (!SWIG_IsOK(res3)) {
4851       SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "vectorvVector3___setitem__" "', argument " "3"" of type '" "std::vector< std::vector< OpenBabel::vector3 > >::value_type const &""'"); }
4852      if (!ptr) {
4853       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "vectorvVector3___setitem__" "', argument " "3"" of type '" "std::vector< std::vector< OpenBabel::vector3 > >::value_type const &""'"); }
4854      arg3 = ptr; }  try {
4855     std_vector_Sl_std_vector_Sl_OpenBabel_vector3_Sg__Sg____setitem__(arg1,arg2,(std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > const &)*arg3);}
4856    catch(std::out_of_range &_e) {   return R_NilValue; ; }  r_ans = R_NilValue; if (SWIG_IsNewObj(res3)) delete arg3;
4857   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorvVector3__SWIG_0()4858 SWIGEXPORT SEXP R_swig_new_vectorvVector3__SWIG_0 ( ) { std::vector< std::vector< OpenBabel::vector3 > > *result = 0 ;
4859   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4860   result = (std::vector< std::vector< OpenBabel::vector3 > > *)new std::vector< std::vector< OpenBabel::vector3 > >();
4861   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_std__allocatorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_t_t, R_SWIG_OWNER |  0 );
4862   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorvVector3__SWIG_1(SEXP s_arg1)4863 SWIGEXPORT SEXP R_swig_new_vectorvVector3__SWIG_1 ( SEXP s_arg1) {
4864   std::vector< std::vector< OpenBabel::vector3 > > *result = 0 ;
4865   std::vector< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > *arg1 = 0 ; int res1 = SWIG_OLDOBJ ;
4866   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; {
4867     std::vector<std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > > *ptr = (std::vector<std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > > *)0;
4868     res1 = swig::asptr(s_arg1, &ptr); if (!SWIG_IsOK(res1)) {
4869       SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_vectorvVector3" "', argument " "1"" of type '" "std::vector< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > const &""'"); }
4870      if (!ptr) {
4871       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_vectorvVector3" "', argument " "1"" of type '" "std::vector< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > const &""'"); }
4872      arg1 = ptr; }
4873   result = (std::vector< std::vector< OpenBabel::vector3 > > *)new std::vector< std::vector< OpenBabel::vector3 > >((std::vector< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > const &)*arg1);
4874   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_std__allocatorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_t_t, R_SWIG_OWNER |  0 );
4875   if (SWIG_IsNewObj(res1)) delete arg1; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorvVector3_size(SEXP self,SEXP s_swig_copy)4876 SWIGEXPORT SEXP R_swig_vectorvVector3_size ( SEXP self, SEXP s_swig_copy) {
4877   std::vector< std::vector< OpenBabel::vector3 > >::size_type result;
4878   std::vector< std::vector< OpenBabel::vector3 > > *arg1 = (std::vector< std::vector< OpenBabel::vector3 > > *) 0 ;
4879   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4880   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_std__allocatorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_t_t, 0 |  0 );
4881   if (!SWIG_IsOK(res1)) {
4882     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorvVector3_size" "', argument " "1"" of type '" "std::vector< std::vector< OpenBabel::vector3 > > const *""'");  }
4883    arg1 = reinterpret_cast< std::vector< std::vector< OpenBabel::vector3 > > * >(argp1);
4884   result = ((std::vector< std::vector< OpenBabel::vector3 > > const *)arg1)->size();
4885   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorvVector3__SWIG_2(SEXP size)4886 SWIGEXPORT SEXP R_swig_new_vectorvVector3__SWIG_2 ( SEXP size) { std::vector< std::vector< OpenBabel::vector3 > > *result = 0 ;
4887   std::vector< std::vector< OpenBabel::vector3 > >::size_type arg1 ; int val1 ; int ecode1 = 0 ; unsigned int r_nprotect = 0;
4888   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; ecode1 = SWIG_AsVal_int(size, &val1); if (!SWIG_IsOK(ecode1)) {
4889     SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "new_vectorvVector3" "', argument " "1"" of type '" "std::vector< std::vector< OpenBabel::vector3 > >::size_type""'"); }
4890     arg1 = static_cast< std::vector< std::vector< OpenBabel::vector3 > >::size_type >(val1);
4891   result = (std::vector< std::vector< OpenBabel::vector3 > > *)new std::vector< std::vector< OpenBabel::vector3 > >(arg1);
4892   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_std__allocatorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_t_t, R_SWIG_OWNER |  0 );
4893   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorvVector3__SWIG_3(SEXP size,SEXP value)4894 SWIGEXPORT SEXP R_swig_new_vectorvVector3__SWIG_3 ( SEXP size, SEXP value) {
4895   std::vector< std::vector< OpenBabel::vector3 > > *result = 0 ;
4896   std::vector< std::vector< OpenBabel::vector3 > >::size_type arg1 ;
4897   std::vector< std::vector< OpenBabel::vector3 > >::value_type *arg2 = 0 ; int val1 ; int ecode1 = 0 ; int res2 = SWIG_OLDOBJ ;
4898   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; ecode1 = SWIG_AsVal_int(size, &val1);
4899   if (!SWIG_IsOK(ecode1)) {
4900     SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "new_vectorvVector3" "', argument " "1"" of type '" "std::vector< std::vector< OpenBabel::vector3 > >::size_type""'"); }
4901     arg1 = static_cast< std::vector< std::vector< OpenBabel::vector3 > >::size_type >(val1); {
4902     std::vector<OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > *ptr = (std::vector<OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > *)0;
4903     res2 = swig::asptr(value, &ptr); if (!SWIG_IsOK(res2)) {
4904       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_vectorvVector3" "', argument " "2"" of type '" "std::vector< std::vector< OpenBabel::vector3 > >::value_type const &""'"); }
4905      if (!ptr) {
4906       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_vectorvVector3" "', argument " "2"" of type '" "std::vector< std::vector< OpenBabel::vector3 > >::value_type const &""'"); }
4907      arg2 = ptr; }
4908   result = (std::vector< std::vector< OpenBabel::vector3 > > *)new std::vector< std::vector< OpenBabel::vector3 > >(arg1,(std::vector< std::vector< OpenBabel::vector3 > >::value_type const &)*arg2);
4909   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_std__allocatorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_t_t, R_SWIG_OWNER |  0 );
4910   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_vectorvVector3(SEXP self)4911 SWIGEXPORT SEXP R_swig_delete_vectorvVector3 ( SEXP self) {
4912   std::vector< std::vector< OpenBabel::vector3 > > *arg1 = (std::vector< std::vector< OpenBabel::vector3 > > *) 0 ;
4913   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4914   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_std__allocatorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_t_t, SWIG_POINTER_DISOWN |  0 );
4915   if (!SWIG_IsOK(res1)) {
4916     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_vectorvVector3" "', argument " "1"" of type '" "std::vector< std::vector< OpenBabel::vector3 > > *""'");  }
4917    arg1 = reinterpret_cast< std::vector< std::vector< OpenBabel::vector3 > > * >(argp1); delete arg1; r_ans = R_NilValue;
4918   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_vectorOBMol___nonzero__(SEXP self,SEXP s_swig_copy)4919 SWIGEXPORT SEXP R_swig_vectorOBMol___nonzero__ ( SEXP self, SEXP s_swig_copy) { bool result;
4920   std::vector< OpenBabel::OBMol > *arg1 = (std::vector< OpenBabel::OBMol > *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
4921   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4922   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBMol_std__allocatorT_OpenBabel__OBMol_t_t, 0 |  0 );
4923   if (!SWIG_IsOK(res1)) {
4924     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorOBMol___nonzero__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBMol > const *""'");  }
4925    arg1 = reinterpret_cast< std::vector< OpenBabel::OBMol > * >(argp1);
4926   result = (bool)std_vector_Sl_OpenBabel_OBMol_Sg____nonzero__((std::vector< OpenBabel::OBMol > const *)arg1);
4927   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorOBMol___len__(SEXP self,SEXP s_swig_copy)4928 SWIGEXPORT SEXP R_swig_vectorOBMol___len__ ( SEXP self, SEXP s_swig_copy) { std::vector< OpenBabel::OBMol >::size_type result;
4929   std::vector< OpenBabel::OBMol > *arg1 = (std::vector< OpenBabel::OBMol > *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
4930   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4931   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBMol_std__allocatorT_OpenBabel__OBMol_t_t, 0 |  0 );
4932   if (!SWIG_IsOK(res1)) {
4933     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorOBMol___len__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBMol > const *""'");  }
4934    arg1 = reinterpret_cast< std::vector< OpenBabel::OBMol > * >(argp1);
4935   result = std_vector_Sl_OpenBabel_OBMol_Sg____len__((std::vector< OpenBabel::OBMol > const *)arg1);
4936   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorOBMol___getslice__(SEXP self,SEXP i,SEXP j)4937 SWIGEXPORT SEXP R_swig_vectorOBMol___getslice__ ( SEXP self, SEXP i, SEXP j) {
4938   std::vector< OpenBabel::OBMol,std::allocator< OpenBabel::OBMol > > *result = 0 ;
4939   std::vector< OpenBabel::OBMol > *arg1 = (std::vector< OpenBabel::OBMol > *) 0 ;
4940   std::vector< OpenBabel::OBMol >::difference_type arg2 ; std::vector< OpenBabel::OBMol >::difference_type arg3 ;
4941   void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0;
4942   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4943   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBMol_std__allocatorT_OpenBabel__OBMol_t_t, 0 |  0 );
4944   if (!SWIG_IsOK(res1)) {
4945     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorOBMol___getslice__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBMol > *""'");  }
4946    arg1 = reinterpret_cast< std::vector< OpenBabel::OBMol > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
4947   if (!SWIG_IsOK(ecode2)) {
4948     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorOBMol___getslice__" "', argument " "2"" of type '" "std::vector< OpenBabel::OBMol >::difference_type""'"); }
4949     arg2 = static_cast< std::vector< OpenBabel::OBMol >::difference_type >(val2); ecode3 = SWIG_AsVal_int(j, &val3);
4950   if (!SWIG_IsOK(ecode3)) {
4951     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vectorOBMol___getslice__" "', argument " "3"" of type '" "std::vector< OpenBabel::OBMol >::difference_type""'"); }
4952     arg3 = static_cast< std::vector< OpenBabel::OBMol >::difference_type >(val3); try {
4953     result = (std::vector< OpenBabel::OBMol,std::allocator< OpenBabel::OBMol > > *)std_vector_Sl_OpenBabel_OBMol_Sg____getslice__(arg1,arg2,arg3);}
4954    catch(std::out_of_range &_e) {   return R_NilValue; ; }
4955   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBMol_std__allocatorT_OpenBabel__OBMol_t_t, R_SWIG_OWNER |  0 );
4956   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorOBMol___setslice__(SEXP self,SEXP i,SEXP j,SEXP v)4957 SWIGEXPORT SEXP R_swig_vectorOBMol___setslice__ ( SEXP self, SEXP i, SEXP j, SEXP v) {
4958   std::vector< OpenBabel::OBMol > *arg1 = (std::vector< OpenBabel::OBMol > *) 0 ;
4959   std::vector< OpenBabel::OBMol >::difference_type arg2 ; std::vector< OpenBabel::OBMol >::difference_type arg3 ;
4960   std::vector< OpenBabel::OBMol,std::allocator< OpenBabel::OBMol > > *arg4 = 0 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ;
4961   int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; int res4 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
4962   VMAXTYPE r_vmax = vmaxget() ;
4963   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBMol_std__allocatorT_OpenBabel__OBMol_t_t, 0 |  0 );
4964   if (!SWIG_IsOK(res1)) {
4965     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorOBMol___setslice__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBMol > *""'");  }
4966    arg1 = reinterpret_cast< std::vector< OpenBabel::OBMol > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
4967   if (!SWIG_IsOK(ecode2)) {
4968     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorOBMol___setslice__" "', argument " "2"" of type '" "std::vector< OpenBabel::OBMol >::difference_type""'"); }
4969     arg2 = static_cast< std::vector< OpenBabel::OBMol >::difference_type >(val2); ecode3 = SWIG_AsVal_int(j, &val3);
4970   if (!SWIG_IsOK(ecode3)) {
4971     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vectorOBMol___setslice__" "', argument " "3"" of type '" "std::vector< OpenBabel::OBMol >::difference_type""'"); }
4972     arg3 = static_cast< std::vector< OpenBabel::OBMol >::difference_type >(val3); {
4973     std::vector<OpenBabel::OBMol,std::allocator< OpenBabel::OBMol > > *ptr = (std::vector<OpenBabel::OBMol,std::allocator< OpenBabel::OBMol > > *)0;
4974     res4 = swig::asptr(v, &ptr); if (!SWIG_IsOK(res4)) {
4975       SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "vectorOBMol___setslice__" "', argument " "4"" of type '" "std::vector< OpenBabel::OBMol,std::allocator< OpenBabel::OBMol > > const &""'"); }
4976      if (!ptr) {
4977       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "vectorOBMol___setslice__" "', argument " "4"" of type '" "std::vector< OpenBabel::OBMol,std::allocator< OpenBabel::OBMol > > const &""'"); }
4978      arg4 = ptr; }  try {
4979     std_vector_Sl_OpenBabel_OBMol_Sg____setslice__(arg1,arg2,arg3,(std::vector< OpenBabel::OBMol,std::allocator< OpenBabel::OBMol > > const &)*arg4);}
4980    catch(std::out_of_range &_e) {   return R_NilValue; ; }  catch(std::invalid_argument &_e) {   return R_NilValue; ; }
4981   r_ans = R_NilValue; if (SWIG_IsNewObj(res4)) delete arg4; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
4982   return r_ans; }
R_swig_vectorOBMol___delslice__(SEXP self,SEXP i,SEXP j)4983 SWIGEXPORT SEXP R_swig_vectorOBMol___delslice__ ( SEXP self, SEXP i, SEXP j) {
4984   std::vector< OpenBabel::OBMol > *arg1 = (std::vector< OpenBabel::OBMol > *) 0 ;
4985   std::vector< OpenBabel::OBMol >::difference_type arg2 ; std::vector< OpenBabel::OBMol >::difference_type arg3 ;
4986   void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0;
4987   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
4988   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBMol_std__allocatorT_OpenBabel__OBMol_t_t, 0 |  0 );
4989   if (!SWIG_IsOK(res1)) {
4990     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorOBMol___delslice__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBMol > *""'");  }
4991    arg1 = reinterpret_cast< std::vector< OpenBabel::OBMol > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
4992   if (!SWIG_IsOK(ecode2)) {
4993     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorOBMol___delslice__" "', argument " "2"" of type '" "std::vector< OpenBabel::OBMol >::difference_type""'"); }
4994     arg2 = static_cast< std::vector< OpenBabel::OBMol >::difference_type >(val2); ecode3 = SWIG_AsVal_int(j, &val3);
4995   if (!SWIG_IsOK(ecode3)) {
4996     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vectorOBMol___delslice__" "', argument " "3"" of type '" "std::vector< OpenBabel::OBMol >::difference_type""'"); }
4997     arg3 = static_cast< std::vector< OpenBabel::OBMol >::difference_type >(val3); try {
4998     std_vector_Sl_OpenBabel_OBMol_Sg____delslice__(arg1,arg2,arg3);}  catch(std::out_of_range &_e) {   return R_NilValue; ; }
4999   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorOBMol___delitem__(SEXP self,SEXP i)5000 SWIGEXPORT SEXP R_swig_vectorOBMol___delitem__ ( SEXP self, SEXP i) {
5001   std::vector< OpenBabel::OBMol > *arg1 = (std::vector< OpenBabel::OBMol > *) 0 ;
5002   std::vector< OpenBabel::OBMol >::difference_type arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ;
5003   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5004   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBMol_std__allocatorT_OpenBabel__OBMol_t_t, 0 |  0 );
5005   if (!SWIG_IsOK(res1)) {
5006     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorOBMol___delitem__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBMol > *""'");  }
5007    arg1 = reinterpret_cast< std::vector< OpenBabel::OBMol > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
5008   if (!SWIG_IsOK(ecode2)) {
5009     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorOBMol___delitem__" "', argument " "2"" of type '" "std::vector< OpenBabel::OBMol >::difference_type""'"); }
5010     arg2 = static_cast< std::vector< OpenBabel::OBMol >::difference_type >(val2); try {
5011     std_vector_Sl_OpenBabel_OBMol_Sg____delitem__(arg1,arg2);}  catch(std::out_of_range &_e) {   return R_NilValue; ; }
5012   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorOBMol___getitem__(SEXP self,SEXP i,SEXP s_swig_copy)5013 SWIGEXPORT SEXP R_swig_vectorOBMol___getitem__ ( SEXP self, SEXP i, SEXP s_swig_copy) {
5014   std::vector< OpenBabel::OBMol >::value_type *result = 0 ;
5015   std::vector< OpenBabel::OBMol > *arg1 = (std::vector< OpenBabel::OBMol > *) 0 ;
5016   std::vector< OpenBabel::OBMol >::difference_type arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ;
5017   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5018   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBMol_std__allocatorT_OpenBabel__OBMol_t_t, 0 |  0 );
5019   if (!SWIG_IsOK(res1)) {
5020     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorOBMol___getitem__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBMol > const *""'");  }
5021    arg1 = reinterpret_cast< std::vector< OpenBabel::OBMol > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
5022   if (!SWIG_IsOK(ecode2)) {
5023     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorOBMol___getitem__" "', argument " "2"" of type '" "std::vector< OpenBabel::OBMol >::difference_type""'"); }
5024     arg2 = static_cast< std::vector< OpenBabel::OBMol >::difference_type >(val2); try {
5025     result = (std::vector< OpenBabel::OBMol >::value_type *) &std_vector_Sl_OpenBabel_OBMol_Sg____getitem__((std::vector< OpenBabel::OBMol > const *)arg1,arg2);}
5026    catch(std::out_of_range &_e) {   return R_NilValue; ; }
5027   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMol, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
5028   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorOBMol___setitem__(SEXP self,SEXP i,SEXP x)5029 SWIGEXPORT SEXP R_swig_vectorOBMol___setitem__ ( SEXP self, SEXP i, SEXP x) {
5030   std::vector< OpenBabel::OBMol > *arg1 = (std::vector< OpenBabel::OBMol > *) 0 ;
5031   std::vector< OpenBabel::OBMol >::difference_type arg2 ; std::vector< OpenBabel::OBMol >::value_type *arg3 = 0 ;
5032   void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; void *argp3 ; int res3 = 0 ; unsigned int r_nprotect = 0;
5033   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5034   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBMol_std__allocatorT_OpenBabel__OBMol_t_t, 0 |  0 );
5035   if (!SWIG_IsOK(res1)) {
5036     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorOBMol___setitem__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBMol > *""'");  }
5037    arg1 = reinterpret_cast< std::vector< OpenBabel::OBMol > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
5038   if (!SWIG_IsOK(ecode2)) {
5039     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorOBMol___setitem__" "', argument " "2"" of type '" "std::vector< OpenBabel::OBMol >::difference_type""'"); }
5040     arg2 = static_cast< std::vector< OpenBabel::OBMol >::difference_type >(val2);
5041   res3 = SWIG_R_ConvertPtr(x, &argp3, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res3)) {
5042     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "vectorOBMol___setitem__" "', argument " "3"" of type '" "std::vector< OpenBabel::OBMol >::value_type const &""'");  }
5043    if (!argp3) {
5044     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "vectorOBMol___setitem__" "', argument " "3"" of type '" "std::vector< OpenBabel::OBMol >::value_type const &""'"); }
5045    arg3 = reinterpret_cast< std::vector< OpenBabel::OBMol >::value_type * >(argp3); try {
5046     std_vector_Sl_OpenBabel_OBMol_Sg____setitem__(arg1,arg2,(OpenBabel::OBMol const &)*arg3);}  catch(std::out_of_range &_e) {
5047     return R_NilValue; ; }  r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorOBMol__SWIG_0()5048 SWIGEXPORT SEXP R_swig_new_vectorOBMol__SWIG_0 ( ) { std::vector< OpenBabel::OBMol > *result = 0 ; unsigned int r_nprotect = 0;
5049   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5050   result = (std::vector< OpenBabel::OBMol > *)new std::vector< OpenBabel::OBMol >();
5051   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBMol_std__allocatorT_OpenBabel__OBMol_t_t, R_SWIG_OWNER |  0 );
5052   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorOBMol__SWIG_1(SEXP s_arg1)5053 SWIGEXPORT SEXP R_swig_new_vectorOBMol__SWIG_1 ( SEXP s_arg1) { std::vector< OpenBabel::OBMol > *result = 0 ;
5054   std::vector< OpenBabel::OBMol > *arg1 = 0 ; int res1 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
5055   VMAXTYPE r_vmax = vmaxget() ; {
5056     std::vector<OpenBabel::OBMol,std::allocator< OpenBabel::OBMol > > *ptr = (std::vector<OpenBabel::OBMol,std::allocator< OpenBabel::OBMol > > *)0;
5057     res1 = swig::asptr(s_arg1, &ptr); if (!SWIG_IsOK(res1)) {
5058       SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_vectorOBMol" "', argument " "1"" of type '" "std::vector< OpenBabel::OBMol > const &""'"); }
5059      if (!ptr) {
5060       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_vectorOBMol" "', argument " "1"" of type '" "std::vector< OpenBabel::OBMol > const &""'"); }
5061      arg1 = ptr; }
5062   result = (std::vector< OpenBabel::OBMol > *)new std::vector< OpenBabel::OBMol >((std::vector< OpenBabel::OBMol > const &)*arg1);
5063   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBMol_std__allocatorT_OpenBabel__OBMol_t_t, R_SWIG_OWNER |  0 );
5064   if (SWIG_IsNewObj(res1)) delete arg1; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorOBMol_size(SEXP self,SEXP s_swig_copy)5065 SWIGEXPORT SEXP R_swig_vectorOBMol_size ( SEXP self, SEXP s_swig_copy) { std::vector< OpenBabel::OBMol >::size_type result;
5066   std::vector< OpenBabel::OBMol > *arg1 = (std::vector< OpenBabel::OBMol > *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
5067   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5068   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBMol_std__allocatorT_OpenBabel__OBMol_t_t, 0 |  0 );
5069   if (!SWIG_IsOK(res1)) {
5070     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorOBMol_size" "', argument " "1"" of type '" "std::vector< OpenBabel::OBMol > const *""'");  }
5071    arg1 = reinterpret_cast< std::vector< OpenBabel::OBMol > * >(argp1);
5072   result = ((std::vector< OpenBabel::OBMol > const *)arg1)->size(); r_ans = SWIG_From_int(static_cast< int >(result));
5073   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorOBMol__SWIG_2(SEXP size)5074 SWIGEXPORT SEXP R_swig_new_vectorOBMol__SWIG_2 ( SEXP size) { std::vector< OpenBabel::OBMol > *result = 0 ;
5075   std::vector< OpenBabel::OBMol >::size_type arg1 ; int val1 ; int ecode1 = 0 ; unsigned int r_nprotect = 0;
5076   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; ecode1 = SWIG_AsVal_int(size, &val1); if (!SWIG_IsOK(ecode1)) {
5077     SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "new_vectorOBMol" "', argument " "1"" of type '" "std::vector< OpenBabel::OBMol >::size_type""'"); }
5078     arg1 = static_cast< std::vector< OpenBabel::OBMol >::size_type >(val1);
5079   result = (std::vector< OpenBabel::OBMol > *)new std::vector< OpenBabel::OBMol >(arg1);
5080   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBMol_std__allocatorT_OpenBabel__OBMol_t_t, R_SWIG_OWNER |  0 );
5081   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorOBMol__SWIG_3(SEXP size,SEXP value)5082 SWIGEXPORT SEXP R_swig_new_vectorOBMol__SWIG_3 ( SEXP size, SEXP value) { std::vector< OpenBabel::OBMol > *result = 0 ;
5083   std::vector< OpenBabel::OBMol >::size_type arg1 ; std::vector< OpenBabel::OBMol >::value_type *arg2 = 0 ; int val1 ;
5084   int ecode1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
5085   VMAXTYPE r_vmax = vmaxget() ; ecode1 = SWIG_AsVal_int(size, &val1); if (!SWIG_IsOK(ecode1)) {
5086     SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "new_vectorOBMol" "', argument " "1"" of type '" "std::vector< OpenBabel::OBMol >::size_type""'"); }
5087     arg1 = static_cast< std::vector< OpenBabel::OBMol >::size_type >(val1);
5088   res2 = SWIG_R_ConvertPtr(value, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
5089     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_vectorOBMol" "', argument " "2"" of type '" "std::vector< OpenBabel::OBMol >::value_type const &""'");  }
5090    if (!argp2) {
5091     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_vectorOBMol" "', argument " "2"" of type '" "std::vector< OpenBabel::OBMol >::value_type const &""'"); }
5092    arg2 = reinterpret_cast< std::vector< OpenBabel::OBMol >::value_type * >(argp2);
5093   result = (std::vector< OpenBabel::OBMol > *)new std::vector< OpenBabel::OBMol >(arg1,(std::vector< OpenBabel::OBMol >::value_type const &)*arg2);
5094   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBMol_std__allocatorT_OpenBabel__OBMol_t_t, R_SWIG_OWNER |  0 );
5095   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_vectorOBMol(SEXP self)5096 SWIGEXPORT SEXP R_swig_delete_vectorOBMol ( SEXP self) {
5097   std::vector< OpenBabel::OBMol > *arg1 = (std::vector< OpenBabel::OBMol > *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
5098   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5099   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBMol_std__allocatorT_OpenBabel__OBMol_t_t, SWIG_POINTER_DISOWN |  0 );
5100   if (!SWIG_IsOK(res1)) {
5101     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_vectorOBMol" "', argument " "1"" of type '" "std::vector< OpenBabel::OBMol > *""'");  }
5102    arg1 = reinterpret_cast< std::vector< OpenBabel::OBMol > * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
5103   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_vectorOBBond___nonzero__(SEXP self,SEXP s_swig_copy)5104 SWIGEXPORT SEXP R_swig_vectorOBBond___nonzero__ ( SEXP self, SEXP s_swig_copy) { bool result;
5105   std::vector< OpenBabel::OBBond > *arg1 = (std::vector< OpenBabel::OBBond > *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
5106   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5107   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_std__allocatorT_OpenBabel__OBBond_t_t, 0 |  0 );
5108   if (!SWIG_IsOK(res1)) {
5109     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorOBBond___nonzero__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBBond > const *""'");  }
5110    arg1 = reinterpret_cast< std::vector< OpenBabel::OBBond > * >(argp1);
5111   result = (bool)std_vector_Sl_OpenBabel_OBBond_Sg____nonzero__((std::vector< OpenBabel::OBBond > const *)arg1);
5112   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorOBBond___len__(SEXP self,SEXP s_swig_copy)5113 SWIGEXPORT SEXP R_swig_vectorOBBond___len__ ( SEXP self, SEXP s_swig_copy) { std::vector< OpenBabel::OBBond >::size_type result;
5114   std::vector< OpenBabel::OBBond > *arg1 = (std::vector< OpenBabel::OBBond > *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
5115   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5116   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_std__allocatorT_OpenBabel__OBBond_t_t, 0 |  0 );
5117   if (!SWIG_IsOK(res1)) {
5118     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorOBBond___len__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBBond > const *""'");  }
5119    arg1 = reinterpret_cast< std::vector< OpenBabel::OBBond > * >(argp1);
5120   result = std_vector_Sl_OpenBabel_OBBond_Sg____len__((std::vector< OpenBabel::OBBond > const *)arg1);
5121   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorOBBond___getslice__(SEXP self,SEXP i,SEXP j)5122 SWIGEXPORT SEXP R_swig_vectorOBBond___getslice__ ( SEXP self, SEXP i, SEXP j) {
5123   std::vector< OpenBabel::OBBond,std::allocator< OpenBabel::OBBond > > *result = 0 ;
5124   std::vector< OpenBabel::OBBond > *arg1 = (std::vector< OpenBabel::OBBond > *) 0 ;
5125   std::vector< OpenBabel::OBBond >::difference_type arg2 ; std::vector< OpenBabel::OBBond >::difference_type arg3 ;
5126   void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0;
5127   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5128   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_std__allocatorT_OpenBabel__OBBond_t_t, 0 |  0 );
5129   if (!SWIG_IsOK(res1)) {
5130     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorOBBond___getslice__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBBond > *""'");  }
5131    arg1 = reinterpret_cast< std::vector< OpenBabel::OBBond > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
5132   if (!SWIG_IsOK(ecode2)) {
5133     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorOBBond___getslice__" "', argument " "2"" of type '" "std::vector< OpenBabel::OBBond >::difference_type""'"); }
5134     arg2 = static_cast< std::vector< OpenBabel::OBBond >::difference_type >(val2); ecode3 = SWIG_AsVal_int(j, &val3);
5135   if (!SWIG_IsOK(ecode3)) {
5136     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vectorOBBond___getslice__" "', argument " "3"" of type '" "std::vector< OpenBabel::OBBond >::difference_type""'"); }
5137     arg3 = static_cast< std::vector< OpenBabel::OBBond >::difference_type >(val3); try {
5138     result = (std::vector< OpenBabel::OBBond,std::allocator< OpenBabel::OBBond > > *)std_vector_Sl_OpenBabel_OBBond_Sg____getslice__(arg1,arg2,arg3);}
5139    catch(std::out_of_range &_e) {   return R_NilValue; ; }
5140   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_std__allocatorT_OpenBabel__OBBond_t_t, R_SWIG_OWNER |  0 );
5141   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorOBBond___setslice__(SEXP self,SEXP i,SEXP j,SEXP v)5142 SWIGEXPORT SEXP R_swig_vectorOBBond___setslice__ ( SEXP self, SEXP i, SEXP j, SEXP v) {
5143   std::vector< OpenBabel::OBBond > *arg1 = (std::vector< OpenBabel::OBBond > *) 0 ;
5144   std::vector< OpenBabel::OBBond >::difference_type arg2 ; std::vector< OpenBabel::OBBond >::difference_type arg3 ;
5145   std::vector< OpenBabel::OBBond,std::allocator< OpenBabel::OBBond > > *arg4 = 0 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ;
5146   int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; int res4 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
5147   VMAXTYPE r_vmax = vmaxget() ;
5148   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_std__allocatorT_OpenBabel__OBBond_t_t, 0 |  0 );
5149   if (!SWIG_IsOK(res1)) {
5150     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorOBBond___setslice__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBBond > *""'");  }
5151    arg1 = reinterpret_cast< std::vector< OpenBabel::OBBond > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
5152   if (!SWIG_IsOK(ecode2)) {
5153     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorOBBond___setslice__" "', argument " "2"" of type '" "std::vector< OpenBabel::OBBond >::difference_type""'"); }
5154     arg2 = static_cast< std::vector< OpenBabel::OBBond >::difference_type >(val2); ecode3 = SWIG_AsVal_int(j, &val3);
5155   if (!SWIG_IsOK(ecode3)) {
5156     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vectorOBBond___setslice__" "', argument " "3"" of type '" "std::vector< OpenBabel::OBBond >::difference_type""'"); }
5157     arg3 = static_cast< std::vector< OpenBabel::OBBond >::difference_type >(val3); {
5158     std::vector<OpenBabel::OBBond,std::allocator< OpenBabel::OBBond > > *ptr = (std::vector<OpenBabel::OBBond,std::allocator< OpenBabel::OBBond > > *)0;
5159     res4 = swig::asptr(v, &ptr); if (!SWIG_IsOK(res4)) {
5160       SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "vectorOBBond___setslice__" "', argument " "4"" of type '" "std::vector< OpenBabel::OBBond,std::allocator< OpenBabel::OBBond > > const &""'"); }
5161      if (!ptr) {
5162       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "vectorOBBond___setslice__" "', argument " "4"" of type '" "std::vector< OpenBabel::OBBond,std::allocator< OpenBabel::OBBond > > const &""'"); }
5163      arg4 = ptr; }  try {
5164     std_vector_Sl_OpenBabel_OBBond_Sg____setslice__(arg1,arg2,arg3,(std::vector< OpenBabel::OBBond,std::allocator< OpenBabel::OBBond > > const &)*arg4);}
5165    catch(std::out_of_range &_e) {   return R_NilValue; ; }  catch(std::invalid_argument &_e) {   return R_NilValue; ; }
5166   r_ans = R_NilValue; if (SWIG_IsNewObj(res4)) delete arg4; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
5167   return r_ans; }
R_swig_vectorOBBond___delslice__(SEXP self,SEXP i,SEXP j)5168 SWIGEXPORT SEXP R_swig_vectorOBBond___delslice__ ( SEXP self, SEXP i, SEXP j) {
5169   std::vector< OpenBabel::OBBond > *arg1 = (std::vector< OpenBabel::OBBond > *) 0 ;
5170   std::vector< OpenBabel::OBBond >::difference_type arg2 ; std::vector< OpenBabel::OBBond >::difference_type arg3 ;
5171   void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0;
5172   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5173   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_std__allocatorT_OpenBabel__OBBond_t_t, 0 |  0 );
5174   if (!SWIG_IsOK(res1)) {
5175     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorOBBond___delslice__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBBond > *""'");  }
5176    arg1 = reinterpret_cast< std::vector< OpenBabel::OBBond > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
5177   if (!SWIG_IsOK(ecode2)) {
5178     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorOBBond___delslice__" "', argument " "2"" of type '" "std::vector< OpenBabel::OBBond >::difference_type""'"); }
5179     arg2 = static_cast< std::vector< OpenBabel::OBBond >::difference_type >(val2); ecode3 = SWIG_AsVal_int(j, &val3);
5180   if (!SWIG_IsOK(ecode3)) {
5181     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vectorOBBond___delslice__" "', argument " "3"" of type '" "std::vector< OpenBabel::OBBond >::difference_type""'"); }
5182     arg3 = static_cast< std::vector< OpenBabel::OBBond >::difference_type >(val3); try {
5183     std_vector_Sl_OpenBabel_OBBond_Sg____delslice__(arg1,arg2,arg3);}  catch(std::out_of_range &_e) {   return R_NilValue; ; }
5184   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorOBBond___delitem__(SEXP self,SEXP i)5185 SWIGEXPORT SEXP R_swig_vectorOBBond___delitem__ ( SEXP self, SEXP i) {
5186   std::vector< OpenBabel::OBBond > *arg1 = (std::vector< OpenBabel::OBBond > *) 0 ;
5187   std::vector< OpenBabel::OBBond >::difference_type arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ;
5188   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5189   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_std__allocatorT_OpenBabel__OBBond_t_t, 0 |  0 );
5190   if (!SWIG_IsOK(res1)) {
5191     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorOBBond___delitem__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBBond > *""'");  }
5192    arg1 = reinterpret_cast< std::vector< OpenBabel::OBBond > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
5193   if (!SWIG_IsOK(ecode2)) {
5194     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorOBBond___delitem__" "', argument " "2"" of type '" "std::vector< OpenBabel::OBBond >::difference_type""'"); }
5195     arg2 = static_cast< std::vector< OpenBabel::OBBond >::difference_type >(val2); try {
5196     std_vector_Sl_OpenBabel_OBBond_Sg____delitem__(arg1,arg2);}  catch(std::out_of_range &_e) {   return R_NilValue; ; }
5197   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorOBBond___getitem__(SEXP self,SEXP i,SEXP s_swig_copy)5198 SWIGEXPORT SEXP R_swig_vectorOBBond___getitem__ ( SEXP self, SEXP i, SEXP s_swig_copy) {
5199   std::vector< OpenBabel::OBBond >::value_type *result = 0 ;
5200   std::vector< OpenBabel::OBBond > *arg1 = (std::vector< OpenBabel::OBBond > *) 0 ;
5201   std::vector< OpenBabel::OBBond >::difference_type arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ;
5202   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5203   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_std__allocatorT_OpenBabel__OBBond_t_t, 0 |  0 );
5204   if (!SWIG_IsOK(res1)) {
5205     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorOBBond___getitem__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBBond > const *""'");  }
5206    arg1 = reinterpret_cast< std::vector< OpenBabel::OBBond > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
5207   if (!SWIG_IsOK(ecode2)) {
5208     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorOBBond___getitem__" "', argument " "2"" of type '" "std::vector< OpenBabel::OBBond >::difference_type""'"); }
5209     arg2 = static_cast< std::vector< OpenBabel::OBBond >::difference_type >(val2); try {
5210     result = (std::vector< OpenBabel::OBBond >::value_type *) &std_vector_Sl_OpenBabel_OBBond_Sg____getitem__((std::vector< OpenBabel::OBBond > const *)arg1,arg2);}
5211    catch(std::out_of_range &_e) {   return R_NilValue; ; }
5212   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
5213   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorOBBond___setitem__(SEXP self,SEXP i,SEXP x)5214 SWIGEXPORT SEXP R_swig_vectorOBBond___setitem__ ( SEXP self, SEXP i, SEXP x) {
5215   std::vector< OpenBabel::OBBond > *arg1 = (std::vector< OpenBabel::OBBond > *) 0 ;
5216   std::vector< OpenBabel::OBBond >::difference_type arg2 ; std::vector< OpenBabel::OBBond >::value_type *arg3 = 0 ;
5217   void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; void *argp3 ; int res3 = 0 ; unsigned int r_nprotect = 0;
5218   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5219   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_std__allocatorT_OpenBabel__OBBond_t_t, 0 |  0 );
5220   if (!SWIG_IsOK(res1)) {
5221     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorOBBond___setitem__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBBond > *""'");  }
5222    arg1 = reinterpret_cast< std::vector< OpenBabel::OBBond > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
5223   if (!SWIG_IsOK(ecode2)) {
5224     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorOBBond___setitem__" "', argument " "2"" of type '" "std::vector< OpenBabel::OBBond >::difference_type""'"); }
5225     arg2 = static_cast< std::vector< OpenBabel::OBBond >::difference_type >(val2);
5226   res3 = SWIG_R_ConvertPtr(x, &argp3, SWIGTYPE_p_OpenBabel__OBBond,  0 ); if (!SWIG_IsOK(res3)) {
5227     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "vectorOBBond___setitem__" "', argument " "3"" of type '" "std::vector< OpenBabel::OBBond >::value_type const &""'");  }
5228    if (!argp3) {
5229     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "vectorOBBond___setitem__" "', argument " "3"" of type '" "std::vector< OpenBabel::OBBond >::value_type const &""'"); }
5230    arg3 = reinterpret_cast< std::vector< OpenBabel::OBBond >::value_type * >(argp3); try {
5231     std_vector_Sl_OpenBabel_OBBond_Sg____setitem__(arg1,arg2,(OpenBabel::OBBond const &)*arg3);}  catch(std::out_of_range &_e) {
5232       return R_NilValue; ; }  r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorOBBond__SWIG_0()5233 SWIGEXPORT SEXP R_swig_new_vectorOBBond__SWIG_0 ( ) { std::vector< OpenBabel::OBBond > *result = 0 ;
5234   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5235   result = (std::vector< OpenBabel::OBBond > *)new std::vector< OpenBabel::OBBond >();
5236   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_std__allocatorT_OpenBabel__OBBond_t_t, R_SWIG_OWNER |  0 );
5237   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorOBBond__SWIG_1(SEXP s_arg1)5238 SWIGEXPORT SEXP R_swig_new_vectorOBBond__SWIG_1 ( SEXP s_arg1) { std::vector< OpenBabel::OBBond > *result = 0 ;
5239   std::vector< OpenBabel::OBBond > *arg1 = 0 ; int res1 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
5240   VMAXTYPE r_vmax = vmaxget() ; {
5241     std::vector<OpenBabel::OBBond,std::allocator< OpenBabel::OBBond > > *ptr = (std::vector<OpenBabel::OBBond,std::allocator< OpenBabel::OBBond > > *)0;
5242     res1 = swig::asptr(s_arg1, &ptr); if (!SWIG_IsOK(res1)) {
5243       SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_vectorOBBond" "', argument " "1"" of type '" "std::vector< OpenBabel::OBBond > const &""'"); }
5244      if (!ptr) {
5245       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_vectorOBBond" "', argument " "1"" of type '" "std::vector< OpenBabel::OBBond > const &""'"); }
5246      arg1 = ptr; }
5247   result = (std::vector< OpenBabel::OBBond > *)new std::vector< OpenBabel::OBBond >((std::vector< OpenBabel::OBBond > const &)*arg1);
5248   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_std__allocatorT_OpenBabel__OBBond_t_t, R_SWIG_OWNER |  0 );
5249   if (SWIG_IsNewObj(res1)) delete arg1; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorOBBond_size(SEXP self,SEXP s_swig_copy)5250 SWIGEXPORT SEXP R_swig_vectorOBBond_size ( SEXP self, SEXP s_swig_copy) { std::vector< OpenBabel::OBBond >::size_type result;
5251   std::vector< OpenBabel::OBBond > *arg1 = (std::vector< OpenBabel::OBBond > *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
5252   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5253   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_std__allocatorT_OpenBabel__OBBond_t_t, 0 |  0 );
5254   if (!SWIG_IsOK(res1)) {
5255     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorOBBond_size" "', argument " "1"" of type '" "std::vector< OpenBabel::OBBond > const *""'");  }
5256    arg1 = reinterpret_cast< std::vector< OpenBabel::OBBond > * >(argp1);
5257   result = ((std::vector< OpenBabel::OBBond > const *)arg1)->size(); r_ans = SWIG_From_int(static_cast< int >(result));
5258   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorOBBond__SWIG_2(SEXP size)5259 SWIGEXPORT SEXP R_swig_new_vectorOBBond__SWIG_2 ( SEXP size) { std::vector< OpenBabel::OBBond > *result = 0 ;
5260   std::vector< OpenBabel::OBBond >::size_type arg1 ; int val1 ; int ecode1 = 0 ; unsigned int r_nprotect = 0;
5261   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; ecode1 = SWIG_AsVal_int(size, &val1); if (!SWIG_IsOK(ecode1)) {
5262     SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "new_vectorOBBond" "', argument " "1"" of type '" "std::vector< OpenBabel::OBBond >::size_type""'"); }
5263     arg1 = static_cast< std::vector< OpenBabel::OBBond >::size_type >(val1);
5264   result = (std::vector< OpenBabel::OBBond > *)new std::vector< OpenBabel::OBBond >(arg1);
5265   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_std__allocatorT_OpenBabel__OBBond_t_t, R_SWIG_OWNER |  0 );
5266   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorOBBond__SWIG_3(SEXP size,SEXP value)5267 SWIGEXPORT SEXP R_swig_new_vectorOBBond__SWIG_3 ( SEXP size, SEXP value) { std::vector< OpenBabel::OBBond > *result = 0 ;
5268   std::vector< OpenBabel::OBBond >::size_type arg1 ; std::vector< OpenBabel::OBBond >::value_type *arg2 = 0 ; int val1 ;
5269   int ecode1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
5270   VMAXTYPE r_vmax = vmaxget() ; ecode1 = SWIG_AsVal_int(size, &val1); if (!SWIG_IsOK(ecode1)) {
5271     SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "new_vectorOBBond" "', argument " "1"" of type '" "std::vector< OpenBabel::OBBond >::size_type""'"); }
5272     arg1 = static_cast< std::vector< OpenBabel::OBBond >::size_type >(val1);
5273   res2 = SWIG_R_ConvertPtr(value, &argp2, SWIGTYPE_p_OpenBabel__OBBond,  0 ); if (!SWIG_IsOK(res2)) {
5274     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_vectorOBBond" "', argument " "2"" of type '" "std::vector< OpenBabel::OBBond >::value_type const &""'");  }
5275    if (!argp2) {
5276     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_vectorOBBond" "', argument " "2"" of type '" "std::vector< OpenBabel::OBBond >::value_type const &""'"); }
5277    arg2 = reinterpret_cast< std::vector< OpenBabel::OBBond >::value_type * >(argp2);
5278   result = (std::vector< OpenBabel::OBBond > *)new std::vector< OpenBabel::OBBond >(arg1,(std::vector< OpenBabel::OBBond >::value_type const &)*arg2);
5279   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_std__allocatorT_OpenBabel__OBBond_t_t, R_SWIG_OWNER |  0 );
5280   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_vectorOBBond(SEXP self)5281 SWIGEXPORT SEXP R_swig_delete_vectorOBBond ( SEXP self) {
5282   std::vector< OpenBabel::OBBond > *arg1 = (std::vector< OpenBabel::OBBond > *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
5283   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5284   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_std__allocatorT_OpenBabel__OBBond_t_t, SWIG_POINTER_DISOWN |  0 );
5285   if (!SWIG_IsOK(res1)) {
5286     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_vectorOBBond" "', argument " "1"" of type '" "std::vector< OpenBabel::OBBond > *""'");  }
5287    arg1 = reinterpret_cast< std::vector< OpenBabel::OBBond > * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
5288   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_vectorOBResidue___nonzero__(SEXP self,SEXP s_swig_copy)5289 SWIGEXPORT SEXP R_swig_vectorOBResidue___nonzero__ ( SEXP self, SEXP s_swig_copy) { bool result;
5290   std::vector< OpenBabel::OBResidue > *arg1 = (std::vector< OpenBabel::OBResidue > *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
5291   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5292   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBResidue_std__allocatorT_OpenBabel__OBResidue_t_t, 0 |  0 );
5293   if (!SWIG_IsOK(res1)) {
5294     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorOBResidue___nonzero__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBResidue > const *""'");  }
5295    arg1 = reinterpret_cast< std::vector< OpenBabel::OBResidue > * >(argp1);
5296   result = (bool)std_vector_Sl_OpenBabel_OBResidue_Sg____nonzero__((std::vector< OpenBabel::OBResidue > const *)arg1);
5297   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorOBResidue___len__(SEXP self,SEXP s_swig_copy)5298 SWIGEXPORT SEXP R_swig_vectorOBResidue___len__ ( SEXP self, SEXP s_swig_copy) {
5299   std::vector< OpenBabel::OBResidue >::size_type result;
5300   std::vector< OpenBabel::OBResidue > *arg1 = (std::vector< OpenBabel::OBResidue > *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
5301   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5302   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBResidue_std__allocatorT_OpenBabel__OBResidue_t_t, 0 |  0 );
5303   if (!SWIG_IsOK(res1)) {
5304     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorOBResidue___len__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBResidue > const *""'");  }
5305    arg1 = reinterpret_cast< std::vector< OpenBabel::OBResidue > * >(argp1);
5306   result = std_vector_Sl_OpenBabel_OBResidue_Sg____len__((std::vector< OpenBabel::OBResidue > const *)arg1);
5307   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorOBResidue___getslice__(SEXP self,SEXP i,SEXP j)5308 SWIGEXPORT SEXP R_swig_vectorOBResidue___getslice__ ( SEXP self, SEXP i, SEXP j) {
5309   std::vector< OpenBabel::OBResidue,std::allocator< OpenBabel::OBResidue > > *result = 0 ;
5310   std::vector< OpenBabel::OBResidue > *arg1 = (std::vector< OpenBabel::OBResidue > *) 0 ;
5311   std::vector< OpenBabel::OBResidue >::difference_type arg2 ; std::vector< OpenBabel::OBResidue >::difference_type arg3 ;
5312   void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0;
5313   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5314   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBResidue_std__allocatorT_OpenBabel__OBResidue_t_t, 0 |  0 );
5315   if (!SWIG_IsOK(res1)) {
5316     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorOBResidue___getslice__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBResidue > *""'");  }
5317    arg1 = reinterpret_cast< std::vector< OpenBabel::OBResidue > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
5318   if (!SWIG_IsOK(ecode2)) {
5319     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorOBResidue___getslice__" "', argument " "2"" of type '" "std::vector< OpenBabel::OBResidue >::difference_type""'"); }
5320     arg2 = static_cast< std::vector< OpenBabel::OBResidue >::difference_type >(val2); ecode3 = SWIG_AsVal_int(j, &val3);
5321   if (!SWIG_IsOK(ecode3)) {
5322     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vectorOBResidue___getslice__" "', argument " "3"" of type '" "std::vector< OpenBabel::OBResidue >::difference_type""'"); }
5323     arg3 = static_cast< std::vector< OpenBabel::OBResidue >::difference_type >(val3); try {
5324     result = (std::vector< OpenBabel::OBResidue,std::allocator< OpenBabel::OBResidue > > *)std_vector_Sl_OpenBabel_OBResidue_Sg____getslice__(arg1,arg2,arg3);}
5325    catch(std::out_of_range &_e) {   return R_NilValue; ; }
5326   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBResidue_std__allocatorT_OpenBabel__OBResidue_t_t, R_SWIG_OWNER |  0 );
5327   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorOBResidue___setslice__(SEXP self,SEXP i,SEXP j,SEXP v)5328 SWIGEXPORT SEXP R_swig_vectorOBResidue___setslice__ ( SEXP self, SEXP i, SEXP j, SEXP v) {
5329   std::vector< OpenBabel::OBResidue > *arg1 = (std::vector< OpenBabel::OBResidue > *) 0 ;
5330   std::vector< OpenBabel::OBResidue >::difference_type arg2 ; std::vector< OpenBabel::OBResidue >::difference_type arg3 ;
5331   std::vector< OpenBabel::OBResidue,std::allocator< OpenBabel::OBResidue > > *arg4 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
5332   int val2 ; int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; int res4 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0;
5333   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5334   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBResidue_std__allocatorT_OpenBabel__OBResidue_t_t, 0 |  0 );
5335   if (!SWIG_IsOK(res1)) {
5336     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorOBResidue___setslice__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBResidue > *""'");  }
5337    arg1 = reinterpret_cast< std::vector< OpenBabel::OBResidue > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
5338   if (!SWIG_IsOK(ecode2)) {
5339     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorOBResidue___setslice__" "', argument " "2"" of type '" "std::vector< OpenBabel::OBResidue >::difference_type""'"); }
5340     arg2 = static_cast< std::vector< OpenBabel::OBResidue >::difference_type >(val2); ecode3 = SWIG_AsVal_int(j, &val3);
5341   if (!SWIG_IsOK(ecode3)) {
5342     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vectorOBResidue___setslice__" "', argument " "3"" of type '" "std::vector< OpenBabel::OBResidue >::difference_type""'"); }
5343     arg3 = static_cast< std::vector< OpenBabel::OBResidue >::difference_type >(val3); {
5344     std::vector<OpenBabel::OBResidue,std::allocator< OpenBabel::OBResidue > > *ptr = (std::vector<OpenBabel::OBResidue,std::allocator< OpenBabel::OBResidue > > *)0;
5345     res4 = swig::asptr(v, &ptr); if (!SWIG_IsOK(res4)) {
5346       SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "vectorOBResidue___setslice__" "', argument " "4"" of type '" "std::vector< OpenBabel::OBResidue,std::allocator< OpenBabel::OBResidue > > const &""'"); }
5347      if (!ptr) {
5348       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "vectorOBResidue___setslice__" "', argument " "4"" of type '" "std::vector< OpenBabel::OBResidue,std::allocator< OpenBabel::OBResidue > > const &""'"); }
5349      arg4 = ptr; }  try {
5350     std_vector_Sl_OpenBabel_OBResidue_Sg____setslice__(arg1,arg2,arg3,(std::vector< OpenBabel::OBResidue,std::allocator< OpenBabel::OBResidue > > const &)*arg4);}
5351    catch(std::out_of_range &_e) {   return R_NilValue; ; }  catch(std::invalid_argument &_e) {   return R_NilValue; ; }
5352   r_ans = R_NilValue; if (SWIG_IsNewObj(res4)) delete arg4; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
5353   return r_ans; }
R_swig_vectorOBResidue___delslice__(SEXP self,SEXP i,SEXP j)5354 SWIGEXPORT SEXP R_swig_vectorOBResidue___delslice__ ( SEXP self, SEXP i, SEXP j) {
5355   std::vector< OpenBabel::OBResidue > *arg1 = (std::vector< OpenBabel::OBResidue > *) 0 ;
5356   std::vector< OpenBabel::OBResidue >::difference_type arg2 ; std::vector< OpenBabel::OBResidue >::difference_type arg3 ;
5357   void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0;
5358   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5359   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBResidue_std__allocatorT_OpenBabel__OBResidue_t_t, 0 |  0 );
5360   if (!SWIG_IsOK(res1)) {
5361     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorOBResidue___delslice__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBResidue > *""'");  }
5362    arg1 = reinterpret_cast< std::vector< OpenBabel::OBResidue > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
5363   if (!SWIG_IsOK(ecode2)) {
5364     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorOBResidue___delslice__" "', argument " "2"" of type '" "std::vector< OpenBabel::OBResidue >::difference_type""'"); }
5365     arg2 = static_cast< std::vector< OpenBabel::OBResidue >::difference_type >(val2); ecode3 = SWIG_AsVal_int(j, &val3);
5366   if (!SWIG_IsOK(ecode3)) {
5367     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vectorOBResidue___delslice__" "', argument " "3"" of type '" "std::vector< OpenBabel::OBResidue >::difference_type""'"); }
5368     arg3 = static_cast< std::vector< OpenBabel::OBResidue >::difference_type >(val3); try {
5369     std_vector_Sl_OpenBabel_OBResidue_Sg____delslice__(arg1,arg2,arg3);}  catch(std::out_of_range &_e) {   return R_NilValue; ; }
5370    r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorOBResidue___delitem__(SEXP self,SEXP i)5371 SWIGEXPORT SEXP R_swig_vectorOBResidue___delitem__ ( SEXP self, SEXP i) {
5372   std::vector< OpenBabel::OBResidue > *arg1 = (std::vector< OpenBabel::OBResidue > *) 0 ;
5373   std::vector< OpenBabel::OBResidue >::difference_type arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ;
5374   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5375   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBResidue_std__allocatorT_OpenBabel__OBResidue_t_t, 0 |  0 );
5376   if (!SWIG_IsOK(res1)) {
5377     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorOBResidue___delitem__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBResidue > *""'");  }
5378    arg1 = reinterpret_cast< std::vector< OpenBabel::OBResidue > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
5379   if (!SWIG_IsOK(ecode2)) {
5380     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorOBResidue___delitem__" "', argument " "2"" of type '" "std::vector< OpenBabel::OBResidue >::difference_type""'"); }
5381     arg2 = static_cast< std::vector< OpenBabel::OBResidue >::difference_type >(val2); try {
5382     std_vector_Sl_OpenBabel_OBResidue_Sg____delitem__(arg1,arg2);}  catch(std::out_of_range &_e) {   return R_NilValue; ; }
5383   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorOBResidue___getitem__(SEXP self,SEXP i,SEXP s_swig_copy)5384 SWIGEXPORT SEXP R_swig_vectorOBResidue___getitem__ ( SEXP self, SEXP i, SEXP s_swig_copy) {
5385   std::vector< OpenBabel::OBResidue >::value_type *result = 0 ;
5386   std::vector< OpenBabel::OBResidue > *arg1 = (std::vector< OpenBabel::OBResidue > *) 0 ;
5387   std::vector< OpenBabel::OBResidue >::difference_type arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ;
5388   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5389   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBResidue_std__allocatorT_OpenBabel__OBResidue_t_t, 0 |  0 );
5390   if (!SWIG_IsOK(res1)) {
5391     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorOBResidue___getitem__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBResidue > const *""'");  }
5392    arg1 = reinterpret_cast< std::vector< OpenBabel::OBResidue > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
5393   if (!SWIG_IsOK(ecode2)) {
5394     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorOBResidue___getitem__" "', argument " "2"" of type '" "std::vector< OpenBabel::OBResidue >::difference_type""'"); }
5395     arg2 = static_cast< std::vector< OpenBabel::OBResidue >::difference_type >(val2); try {
5396     result = (std::vector< OpenBabel::OBResidue >::value_type *) &std_vector_Sl_OpenBabel_OBResidue_Sg____getitem__((std::vector< OpenBabel::OBResidue > const *)arg1,arg2);}
5397    catch(std::out_of_range &_e) {   return R_NilValue; ; }
5398   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBResidue, R_SWIG_EXTERNAL |  0 );
5399   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorOBResidue___setitem__(SEXP self,SEXP i,SEXP x)5400 SWIGEXPORT SEXP R_swig_vectorOBResidue___setitem__ ( SEXP self, SEXP i, SEXP x) {
5401   std::vector< OpenBabel::OBResidue > *arg1 = (std::vector< OpenBabel::OBResidue > *) 0 ;
5402   std::vector< OpenBabel::OBResidue >::difference_type arg2 ; std::vector< OpenBabel::OBResidue >::value_type *arg3 = 0 ;
5403   void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; void *argp3 ; int res3 = 0 ; unsigned int r_nprotect = 0;
5404   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5405   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBResidue_std__allocatorT_OpenBabel__OBResidue_t_t, 0 |  0 );
5406   if (!SWIG_IsOK(res1)) {
5407     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorOBResidue___setitem__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBResidue > *""'");  }
5408    arg1 = reinterpret_cast< std::vector< OpenBabel::OBResidue > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
5409   if (!SWIG_IsOK(ecode2)) {
5410     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorOBResidue___setitem__" "', argument " "2"" of type '" "std::vector< OpenBabel::OBResidue >::difference_type""'"); }
5411     arg2 = static_cast< std::vector< OpenBabel::OBResidue >::difference_type >(val2);
5412   res3 = SWIG_R_ConvertPtr(x, &argp3, SWIGTYPE_p_OpenBabel__OBResidue,  0 ); if (!SWIG_IsOK(res3)) {
5413     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "vectorOBResidue___setitem__" "', argument " "3"" of type '" "std::vector< OpenBabel::OBResidue >::value_type const &""'");  }
5414    if (!argp3) {
5415     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "vectorOBResidue___setitem__" "', argument " "3"" of type '" "std::vector< OpenBabel::OBResidue >::value_type const &""'"); }
5416    arg3 = reinterpret_cast< std::vector< OpenBabel::OBResidue >::value_type * >(argp3); try {
5417     std_vector_Sl_OpenBabel_OBResidue_Sg____setitem__(arg1,arg2,(OpenBabel::OBResidue const &)*arg3);}
5418   catch(std::out_of_range &_e) {   return R_NilValue; ; }  r_ans = R_NilValue; vmaxset(r_vmax);
5419   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorOBResidue__SWIG_0()5420 SWIGEXPORT SEXP R_swig_new_vectorOBResidue__SWIG_0 ( ) { std::vector< OpenBabel::OBResidue > *result = 0 ;
5421   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5422   result = (std::vector< OpenBabel::OBResidue > *)new std::vector< OpenBabel::OBResidue >();
5423   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBResidue_std__allocatorT_OpenBabel__OBResidue_t_t, R_SWIG_OWNER |  0 );
5424   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorOBResidue__SWIG_1(SEXP s_arg1)5425 SWIGEXPORT SEXP R_swig_new_vectorOBResidue__SWIG_1 ( SEXP s_arg1) { std::vector< OpenBabel::OBResidue > *result = 0 ;
5426   std::vector< OpenBabel::OBResidue > *arg1 = 0 ; int res1 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0;
5427   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; {
5428     std::vector<OpenBabel::OBResidue,std::allocator< OpenBabel::OBResidue > > *ptr = (std::vector<OpenBabel::OBResidue,std::allocator< OpenBabel::OBResidue > > *)0;
5429     res1 = swig::asptr(s_arg1, &ptr); if (!SWIG_IsOK(res1)) {
5430       SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_vectorOBResidue" "', argument " "1"" of type '" "std::vector< OpenBabel::OBResidue > const &""'"); }
5431      if (!ptr) {
5432       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_vectorOBResidue" "', argument " "1"" of type '" "std::vector< OpenBabel::OBResidue > const &""'"); }
5433      arg1 = ptr; }
5434   result = (std::vector< OpenBabel::OBResidue > *)new std::vector< OpenBabel::OBResidue >((std::vector< OpenBabel::OBResidue > const &)*arg1);
5435   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBResidue_std__allocatorT_OpenBabel__OBResidue_t_t, R_SWIG_OWNER |  0 );
5436   if (SWIG_IsNewObj(res1)) delete arg1; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorOBResidue_size(SEXP self,SEXP s_swig_copy)5437 SWIGEXPORT SEXP R_swig_vectorOBResidue_size ( SEXP self, SEXP s_swig_copy) {
5438   std::vector< OpenBabel::OBResidue >::size_type result;
5439   std::vector< OpenBabel::OBResidue > *arg1 = (std::vector< OpenBabel::OBResidue > *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
5440   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5441   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBResidue_std__allocatorT_OpenBabel__OBResidue_t_t, 0 |  0 );
5442   if (!SWIG_IsOK(res1)) {
5443     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorOBResidue_size" "', argument " "1"" of type '" "std::vector< OpenBabel::OBResidue > const *""'");  }
5444    arg1 = reinterpret_cast< std::vector< OpenBabel::OBResidue > * >(argp1);
5445   result = ((std::vector< OpenBabel::OBResidue > const *)arg1)->size(); r_ans = SWIG_From_int(static_cast< int >(result));
5446   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorOBResidue__SWIG_2(SEXP size)5447 SWIGEXPORT SEXP R_swig_new_vectorOBResidue__SWIG_2 ( SEXP size) { std::vector< OpenBabel::OBResidue > *result = 0 ;
5448   std::vector< OpenBabel::OBResidue >::size_type arg1 ; int val1 ; int ecode1 = 0 ; unsigned int r_nprotect = 0;
5449   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; ecode1 = SWIG_AsVal_int(size, &val1); if (!SWIG_IsOK(ecode1)) {
5450     SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "new_vectorOBResidue" "', argument " "1"" of type '" "std::vector< OpenBabel::OBResidue >::size_type""'"); }
5451     arg1 = static_cast< std::vector< OpenBabel::OBResidue >::size_type >(val1);
5452   result = (std::vector< OpenBabel::OBResidue > *)new std::vector< OpenBabel::OBResidue >(arg1);
5453   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBResidue_std__allocatorT_OpenBabel__OBResidue_t_t, R_SWIG_OWNER |  0 );
5454   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorOBResidue__SWIG_3(SEXP size,SEXP value)5455 SWIGEXPORT SEXP R_swig_new_vectorOBResidue__SWIG_3 ( SEXP size, SEXP value) { std::vector< OpenBabel::OBResidue > *result = 0 ;
5456   std::vector< OpenBabel::OBResidue >::size_type arg1 ; std::vector< OpenBabel::OBResidue >::value_type *arg2 = 0 ; int val1 ;
5457   int ecode1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
5458   VMAXTYPE r_vmax = vmaxget() ; ecode1 = SWIG_AsVal_int(size, &val1); if (!SWIG_IsOK(ecode1)) {
5459     SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "new_vectorOBResidue" "', argument " "1"" of type '" "std::vector< OpenBabel::OBResidue >::size_type""'"); }
5460     arg1 = static_cast< std::vector< OpenBabel::OBResidue >::size_type >(val1);
5461   res2 = SWIG_R_ConvertPtr(value, &argp2, SWIGTYPE_p_OpenBabel__OBResidue,  0 ); if (!SWIG_IsOK(res2)) {
5462     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_vectorOBResidue" "', argument " "2"" of type '" "std::vector< OpenBabel::OBResidue >::value_type const &""'");  }
5463    if (!argp2) {
5464     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_vectorOBResidue" "', argument " "2"" of type '" "std::vector< OpenBabel::OBResidue >::value_type const &""'"); }
5465    arg2 = reinterpret_cast< std::vector< OpenBabel::OBResidue >::value_type * >(argp2);
5466   result = (std::vector< OpenBabel::OBResidue > *)new std::vector< OpenBabel::OBResidue >(arg1,(std::vector< OpenBabel::OBResidue >::value_type const &)*arg2);
5467   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBResidue_std__allocatorT_OpenBabel__OBResidue_t_t, R_SWIG_OWNER |  0 );
5468   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_vectorOBResidue(SEXP self)5469 SWIGEXPORT SEXP R_swig_delete_vectorOBResidue ( SEXP self) {
5470   std::vector< OpenBabel::OBResidue > *arg1 = (std::vector< OpenBabel::OBResidue > *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
5471   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5472   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBResidue_std__allocatorT_OpenBabel__OBResidue_t_t, SWIG_POINTER_DISOWN |  0 );
5473   if (!SWIG_IsOK(res1)) {
5474     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_vectorOBResidue" "', argument " "1"" of type '" "std::vector< OpenBabel::OBResidue > *""'");  }
5475    arg1 = reinterpret_cast< std::vector< OpenBabel::OBResidue > * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
5476   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_vectorOBRing___nonzero__(SEXP self,SEXP s_swig_copy)5477 SWIGEXPORT SEXP R_swig_vectorOBRing___nonzero__ ( SEXP self, SEXP s_swig_copy) { bool result;
5478   std::vector< OpenBabel::OBRing > *arg1 = (std::vector< OpenBabel::OBRing > *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
5479   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5480   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBRing_std__allocatorT_OpenBabel__OBRing_t_t, 0 |  0 );
5481   if (!SWIG_IsOK(res1)) {
5482     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorOBRing___nonzero__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBRing > const *""'");  }
5483    arg1 = reinterpret_cast< std::vector< OpenBabel::OBRing > * >(argp1);
5484   result = (bool)std_vector_Sl_OpenBabel_OBRing_Sg____nonzero__((std::vector< OpenBabel::OBRing > const *)arg1);
5485   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorOBRing___len__(SEXP self,SEXP s_swig_copy)5486 SWIGEXPORT SEXP R_swig_vectorOBRing___len__ ( SEXP self, SEXP s_swig_copy) { std::vector< OpenBabel::OBRing >::size_type result;
5487   std::vector< OpenBabel::OBRing > *arg1 = (std::vector< OpenBabel::OBRing > *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
5488   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5489   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBRing_std__allocatorT_OpenBabel__OBRing_t_t, 0 |  0 );
5490   if (!SWIG_IsOK(res1)) {
5491     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorOBRing___len__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBRing > const *""'");  }
5492    arg1 = reinterpret_cast< std::vector< OpenBabel::OBRing > * >(argp1);
5493   result = std_vector_Sl_OpenBabel_OBRing_Sg____len__((std::vector< OpenBabel::OBRing > const *)arg1);
5494   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorOBRing___getslice__(SEXP self,SEXP i,SEXP j)5495 SWIGEXPORT SEXP R_swig_vectorOBRing___getslice__ ( SEXP self, SEXP i, SEXP j) {
5496   std::vector< OpenBabel::OBRing,std::allocator< OpenBabel::OBRing > > *result = 0 ;
5497   std::vector< OpenBabel::OBRing > *arg1 = (std::vector< OpenBabel::OBRing > *) 0 ;
5498   std::vector< OpenBabel::OBRing >::difference_type arg2 ; std::vector< OpenBabel::OBRing >::difference_type arg3 ;
5499   void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0;
5500   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5501   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBRing_std__allocatorT_OpenBabel__OBRing_t_t, 0 |  0 );
5502   if (!SWIG_IsOK(res1)) {
5503     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorOBRing___getslice__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBRing > *""'");  }
5504    arg1 = reinterpret_cast< std::vector< OpenBabel::OBRing > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
5505   if (!SWIG_IsOK(ecode2)) {
5506     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorOBRing___getslice__" "', argument " "2"" of type '" "std::vector< OpenBabel::OBRing >::difference_type""'"); }
5507     arg2 = static_cast< std::vector< OpenBabel::OBRing >::difference_type >(val2); ecode3 = SWIG_AsVal_int(j, &val3);
5508   if (!SWIG_IsOK(ecode3)) {
5509     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vectorOBRing___getslice__" "', argument " "3"" of type '" "std::vector< OpenBabel::OBRing >::difference_type""'"); }
5510     arg3 = static_cast< std::vector< OpenBabel::OBRing >::difference_type >(val3); try {
5511     result = (std::vector< OpenBabel::OBRing,std::allocator< OpenBabel::OBRing > > *)std_vector_Sl_OpenBabel_OBRing_Sg____getslice__(arg1,arg2,arg3);}
5512    catch(std::out_of_range &_e) {   return R_NilValue; ; }
5513   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBRing_std__allocatorT_OpenBabel__OBRing_t_t, R_SWIG_OWNER |  0 );
5514   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorOBRing___setslice__(SEXP self,SEXP i,SEXP j,SEXP v)5515 SWIGEXPORT SEXP R_swig_vectorOBRing___setslice__ ( SEXP self, SEXP i, SEXP j, SEXP v) {
5516   std::vector< OpenBabel::OBRing > *arg1 = (std::vector< OpenBabel::OBRing > *) 0 ;
5517   std::vector< OpenBabel::OBRing >::difference_type arg2 ; std::vector< OpenBabel::OBRing >::difference_type arg3 ;
5518   std::vector< OpenBabel::OBRing,std::allocator< OpenBabel::OBRing > > *arg4 = 0 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ;
5519   int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; int res4 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
5520   VMAXTYPE r_vmax = vmaxget() ;
5521   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBRing_std__allocatorT_OpenBabel__OBRing_t_t, 0 |  0 );
5522   if (!SWIG_IsOK(res1)) {
5523     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorOBRing___setslice__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBRing > *""'");  }
5524    arg1 = reinterpret_cast< std::vector< OpenBabel::OBRing > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
5525   if (!SWIG_IsOK(ecode2)) {
5526     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorOBRing___setslice__" "', argument " "2"" of type '" "std::vector< OpenBabel::OBRing >::difference_type""'"); }
5527     arg2 = static_cast< std::vector< OpenBabel::OBRing >::difference_type >(val2); ecode3 = SWIG_AsVal_int(j, &val3);
5528   if (!SWIG_IsOK(ecode3)) {
5529     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vectorOBRing___setslice__" "', argument " "3"" of type '" "std::vector< OpenBabel::OBRing >::difference_type""'"); }
5530     arg3 = static_cast< std::vector< OpenBabel::OBRing >::difference_type >(val3); {
5531     std::vector<OpenBabel::OBRing,std::allocator< OpenBabel::OBRing > > *ptr = (std::vector<OpenBabel::OBRing,std::allocator< OpenBabel::OBRing > > *)0;
5532     res4 = swig::asptr(v, &ptr); if (!SWIG_IsOK(res4)) {
5533       SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "vectorOBRing___setslice__" "', argument " "4"" of type '" "std::vector< OpenBabel::OBRing,std::allocator< OpenBabel::OBRing > > const &""'"); }
5534      if (!ptr) {
5535       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "vectorOBRing___setslice__" "', argument " "4"" of type '" "std::vector< OpenBabel::OBRing,std::allocator< OpenBabel::OBRing > > const &""'"); }
5536      arg4 = ptr; }  try {
5537     std_vector_Sl_OpenBabel_OBRing_Sg____setslice__(arg1,arg2,arg3,(std::vector< OpenBabel::OBRing,std::allocator< OpenBabel::OBRing > > const &)*arg4);}
5538    catch(std::out_of_range &_e) {   return R_NilValue; ; }  catch(std::invalid_argument &_e) {   return R_NilValue; ; }
5539   r_ans = R_NilValue; if (SWIG_IsNewObj(res4)) delete arg4; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
5540   return r_ans; }
R_swig_vectorOBRing___delslice__(SEXP self,SEXP i,SEXP j)5541 SWIGEXPORT SEXP R_swig_vectorOBRing___delslice__ ( SEXP self, SEXP i, SEXP j) {
5542   std::vector< OpenBabel::OBRing > *arg1 = (std::vector< OpenBabel::OBRing > *) 0 ;
5543   std::vector< OpenBabel::OBRing >::difference_type arg2 ; std::vector< OpenBabel::OBRing >::difference_type arg3 ;
5544   void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0;
5545   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5546   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBRing_std__allocatorT_OpenBabel__OBRing_t_t, 0 |  0 );
5547   if (!SWIG_IsOK(res1)) {
5548     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorOBRing___delslice__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBRing > *""'");  }
5549    arg1 = reinterpret_cast< std::vector< OpenBabel::OBRing > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
5550   if (!SWIG_IsOK(ecode2)) {
5551     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorOBRing___delslice__" "', argument " "2"" of type '" "std::vector< OpenBabel::OBRing >::difference_type""'"); }
5552     arg2 = static_cast< std::vector< OpenBabel::OBRing >::difference_type >(val2); ecode3 = SWIG_AsVal_int(j, &val3);
5553   if (!SWIG_IsOK(ecode3)) {
5554     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vectorOBRing___delslice__" "', argument " "3"" of type '" "std::vector< OpenBabel::OBRing >::difference_type""'"); }
5555     arg3 = static_cast< std::vector< OpenBabel::OBRing >::difference_type >(val3); try {
5556     std_vector_Sl_OpenBabel_OBRing_Sg____delslice__(arg1,arg2,arg3);}  catch(std::out_of_range &_e) {   return R_NilValue; ; }
5557   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorOBRing___delitem__(SEXP self,SEXP i)5558 SWIGEXPORT SEXP R_swig_vectorOBRing___delitem__ ( SEXP self, SEXP i) {
5559   std::vector< OpenBabel::OBRing > *arg1 = (std::vector< OpenBabel::OBRing > *) 0 ;
5560   std::vector< OpenBabel::OBRing >::difference_type arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ;
5561   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5562   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBRing_std__allocatorT_OpenBabel__OBRing_t_t, 0 |  0 );
5563   if (!SWIG_IsOK(res1)) {
5564     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorOBRing___delitem__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBRing > *""'");  }
5565    arg1 = reinterpret_cast< std::vector< OpenBabel::OBRing > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
5566   if (!SWIG_IsOK(ecode2)) {
5567     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorOBRing___delitem__" "', argument " "2"" of type '" "std::vector< OpenBabel::OBRing >::difference_type""'"); }
5568     arg2 = static_cast< std::vector< OpenBabel::OBRing >::difference_type >(val2); try {
5569     std_vector_Sl_OpenBabel_OBRing_Sg____delitem__(arg1,arg2);}  catch(std::out_of_range &_e) {   return R_NilValue; ; }
5570   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorOBRing___getitem__(SEXP self,SEXP i,SEXP s_swig_copy)5571 SWIGEXPORT SEXP R_swig_vectorOBRing___getitem__ ( SEXP self, SEXP i, SEXP s_swig_copy) {
5572   std::vector< OpenBabel::OBRing >::value_type *result = 0 ;
5573   std::vector< OpenBabel::OBRing > *arg1 = (std::vector< OpenBabel::OBRing > *) 0 ;
5574   std::vector< OpenBabel::OBRing >::difference_type arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ;
5575   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5576   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBRing_std__allocatorT_OpenBabel__OBRing_t_t, 0 |  0 );
5577   if (!SWIG_IsOK(res1)) {
5578     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorOBRing___getitem__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBRing > const *""'");  }
5579    arg1 = reinterpret_cast< std::vector< OpenBabel::OBRing > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
5580   if (!SWIG_IsOK(ecode2)) {
5581     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorOBRing___getitem__" "', argument " "2"" of type '" "std::vector< OpenBabel::OBRing >::difference_type""'"); }
5582     arg2 = static_cast< std::vector< OpenBabel::OBRing >::difference_type >(val2); try {
5583     result = (std::vector< OpenBabel::OBRing >::value_type *) &std_vector_Sl_OpenBabel_OBRing_Sg____getitem__((std::vector< OpenBabel::OBRing > const *)arg1,arg2);}
5584    catch(std::out_of_range &_e) {   return R_NilValue; ; }
5585   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBRing, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
5586   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorOBRing___setitem__(SEXP self,SEXP i,SEXP x)5587 SWIGEXPORT SEXP R_swig_vectorOBRing___setitem__ ( SEXP self, SEXP i, SEXP x) {
5588   std::vector< OpenBabel::OBRing > *arg1 = (std::vector< OpenBabel::OBRing > *) 0 ;
5589   std::vector< OpenBabel::OBRing >::difference_type arg2 ; std::vector< OpenBabel::OBRing >::value_type *arg3 = 0 ;
5590   void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; void *argp3 ; int res3 = 0 ; unsigned int r_nprotect = 0;
5591   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5592   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBRing_std__allocatorT_OpenBabel__OBRing_t_t, 0 |  0 );
5593   if (!SWIG_IsOK(res1)) {
5594     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorOBRing___setitem__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBRing > *""'");  }
5595    arg1 = reinterpret_cast< std::vector< OpenBabel::OBRing > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
5596   if (!SWIG_IsOK(ecode2)) {
5597     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorOBRing___setitem__" "', argument " "2"" of type '" "std::vector< OpenBabel::OBRing >::difference_type""'"); }
5598     arg2 = static_cast< std::vector< OpenBabel::OBRing >::difference_type >(val2);
5599   res3 = SWIG_R_ConvertPtr(x, &argp3, SWIGTYPE_p_OpenBabel__OBRing,  0 ); if (!SWIG_IsOK(res3)) {
5600     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "vectorOBRing___setitem__" "', argument " "3"" of type '" "std::vector< OpenBabel::OBRing >::value_type const &""'");  }
5601    if (!argp3) {
5602     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "vectorOBRing___setitem__" "', argument " "3"" of type '" "std::vector< OpenBabel::OBRing >::value_type const &""'"); }
5603    arg3 = reinterpret_cast< std::vector< OpenBabel::OBRing >::value_type * >(argp3); try {
5604     std_vector_Sl_OpenBabel_OBRing_Sg____setitem__(arg1,arg2,(OpenBabel::OBRing const &)*arg3);}  catch(std::out_of_range &_e) {
5605       return R_NilValue; ; }  r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorOBRing__SWIG_0()5606 SWIGEXPORT SEXP R_swig_new_vectorOBRing__SWIG_0 ( ) { std::vector< OpenBabel::OBRing > *result = 0 ;
5607   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5608   result = (std::vector< OpenBabel::OBRing > *)new std::vector< OpenBabel::OBRing >();
5609   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBRing_std__allocatorT_OpenBabel__OBRing_t_t, R_SWIG_OWNER |  0 );
5610   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorOBRing__SWIG_1(SEXP s_arg1)5611 SWIGEXPORT SEXP R_swig_new_vectorOBRing__SWIG_1 ( SEXP s_arg1) { std::vector< OpenBabel::OBRing > *result = 0 ;
5612   std::vector< OpenBabel::OBRing > *arg1 = 0 ; int res1 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
5613   VMAXTYPE r_vmax = vmaxget() ; {
5614     std::vector<OpenBabel::OBRing,std::allocator< OpenBabel::OBRing > > *ptr = (std::vector<OpenBabel::OBRing,std::allocator< OpenBabel::OBRing > > *)0;
5615     res1 = swig::asptr(s_arg1, &ptr); if (!SWIG_IsOK(res1)) {
5616       SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_vectorOBRing" "', argument " "1"" of type '" "std::vector< OpenBabel::OBRing > const &""'"); }
5617      if (!ptr) {
5618       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_vectorOBRing" "', argument " "1"" of type '" "std::vector< OpenBabel::OBRing > const &""'"); }
5619      arg1 = ptr; }
5620   result = (std::vector< OpenBabel::OBRing > *)new std::vector< OpenBabel::OBRing >((std::vector< OpenBabel::OBRing > const &)*arg1);
5621   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBRing_std__allocatorT_OpenBabel__OBRing_t_t, R_SWIG_OWNER |  0 );
5622   if (SWIG_IsNewObj(res1)) delete arg1; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorOBRing_size(SEXP self,SEXP s_swig_copy)5623 SWIGEXPORT SEXP R_swig_vectorOBRing_size ( SEXP self, SEXP s_swig_copy) { std::vector< OpenBabel::OBRing >::size_type result;
5624   std::vector< OpenBabel::OBRing > *arg1 = (std::vector< OpenBabel::OBRing > *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
5625   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5626   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBRing_std__allocatorT_OpenBabel__OBRing_t_t, 0 |  0 );
5627   if (!SWIG_IsOK(res1)) {
5628     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorOBRing_size" "', argument " "1"" of type '" "std::vector< OpenBabel::OBRing > const *""'");  }
5629    arg1 = reinterpret_cast< std::vector< OpenBabel::OBRing > * >(argp1);
5630   result = ((std::vector< OpenBabel::OBRing > const *)arg1)->size(); r_ans = SWIG_From_int(static_cast< int >(result));
5631   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorOBRing__SWIG_2(SEXP size)5632 SWIGEXPORT SEXP R_swig_new_vectorOBRing__SWIG_2 ( SEXP size) { std::vector< OpenBabel::OBRing > *result = 0 ;
5633   std::vector< OpenBabel::OBRing >::size_type arg1 ; int val1 ; int ecode1 = 0 ; unsigned int r_nprotect = 0;
5634   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; ecode1 = SWIG_AsVal_int(size, &val1); if (!SWIG_IsOK(ecode1)) {
5635     SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "new_vectorOBRing" "', argument " "1"" of type '" "std::vector< OpenBabel::OBRing >::size_type""'"); }
5636     arg1 = static_cast< std::vector< OpenBabel::OBRing >::size_type >(val1);
5637   result = (std::vector< OpenBabel::OBRing > *)new std::vector< OpenBabel::OBRing >(arg1);
5638   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBRing_std__allocatorT_OpenBabel__OBRing_t_t, R_SWIG_OWNER |  0 );
5639   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorOBRing__SWIG_3(SEXP size,SEXP value)5640 SWIGEXPORT SEXP R_swig_new_vectorOBRing__SWIG_3 ( SEXP size, SEXP value) { std::vector< OpenBabel::OBRing > *result = 0 ;
5641   std::vector< OpenBabel::OBRing >::size_type arg1 ; std::vector< OpenBabel::OBRing >::value_type *arg2 = 0 ; int val1 ;
5642   int ecode1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
5643   VMAXTYPE r_vmax = vmaxget() ; ecode1 = SWIG_AsVal_int(size, &val1); if (!SWIG_IsOK(ecode1)) {
5644     SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "new_vectorOBRing" "', argument " "1"" of type '" "std::vector< OpenBabel::OBRing >::size_type""'"); }
5645     arg1 = static_cast< std::vector< OpenBabel::OBRing >::size_type >(val1);
5646   res2 = SWIG_R_ConvertPtr(value, &argp2, SWIGTYPE_p_OpenBabel__OBRing,  0 ); if (!SWIG_IsOK(res2)) {
5647     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_vectorOBRing" "', argument " "2"" of type '" "std::vector< OpenBabel::OBRing >::value_type const &""'");  }
5648    if (!argp2) {
5649     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_vectorOBRing" "', argument " "2"" of type '" "std::vector< OpenBabel::OBRing >::value_type const &""'"); }
5650    arg2 = reinterpret_cast< std::vector< OpenBabel::OBRing >::value_type * >(argp2);
5651   result = (std::vector< OpenBabel::OBRing > *)new std::vector< OpenBabel::OBRing >(arg1,(std::vector< OpenBabel::OBRing >::value_type const &)*arg2);
5652   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBRing_std__allocatorT_OpenBabel__OBRing_t_t, R_SWIG_OWNER |  0 );
5653   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_vectorOBRing(SEXP self)5654 SWIGEXPORT SEXP R_swig_delete_vectorOBRing ( SEXP self) {
5655   std::vector< OpenBabel::OBRing > *arg1 = (std::vector< OpenBabel::OBRing > *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
5656   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5657   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBRing_std__allocatorT_OpenBabel__OBRing_t_t, SWIG_POINTER_DISOWN |  0 );
5658   if (!SWIG_IsOK(res1)) {
5659     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_vectorOBRing" "', argument " "1"" of type '" "std::vector< OpenBabel::OBRing > *""'");  }
5660    arg1 = reinterpret_cast< std::vector< OpenBabel::OBRing > * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
5661   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_vectorpOBRing___nonzero__(SEXP self,SEXP s_swig_copy)5662 SWIGEXPORT SEXP R_swig_vectorpOBRing___nonzero__ ( SEXP self, SEXP s_swig_copy) { bool result;
5663   std::vector< OpenBabel::OBRing * > *arg1 = (std::vector< OpenBabel::OBRing * > *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
5664   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5665   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBRing_p_std__allocatorT_OpenBabel__OBRing_p_t_t, 0 |  0 );
5666   if (!SWIG_IsOK(res1)) {
5667     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorpOBRing___nonzero__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBRing * > const *""'");  }
5668    arg1 = reinterpret_cast< std::vector< OpenBabel::OBRing * > * >(argp1);
5669   result = (bool)std_vector_Sl_OpenBabel_OBRing_Sm__Sg____nonzero__((std::vector< OpenBabel::OBRing * > const *)arg1);
5670   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorpOBRing___len__(SEXP self,SEXP s_swig_copy)5671 SWIGEXPORT SEXP R_swig_vectorpOBRing___len__ ( SEXP self, SEXP s_swig_copy) {
5672   std::vector< OpenBabel::OBRing * >::size_type result;
5673   std::vector< OpenBabel::OBRing * > *arg1 = (std::vector< OpenBabel::OBRing * > *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
5674   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5675   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBRing_p_std__allocatorT_OpenBabel__OBRing_p_t_t, 0 |  0 );
5676   if (!SWIG_IsOK(res1)) {
5677     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorpOBRing___len__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBRing * > const *""'");  }
5678    arg1 = reinterpret_cast< std::vector< OpenBabel::OBRing * > * >(argp1);
5679   result = std_vector_Sl_OpenBabel_OBRing_Sm__Sg____len__((std::vector< OpenBabel::OBRing * > const *)arg1);
5680   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorpOBRing___getslice__(SEXP self,SEXP i,SEXP j)5681 SWIGEXPORT SEXP R_swig_vectorpOBRing___getslice__ ( SEXP self, SEXP i, SEXP j) {
5682   std::vector< OpenBabel::OBRing *,std::allocator< OpenBabel::OBRing * > > *result = 0 ;
5683   std::vector< OpenBabel::OBRing * > *arg1 = (std::vector< OpenBabel::OBRing * > *) 0 ;
5684   std::vector< OpenBabel::OBRing * >::difference_type arg2 ; std::vector< OpenBabel::OBRing * >::difference_type arg3 ;
5685   void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0;
5686   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5687   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBRing_p_std__allocatorT_OpenBabel__OBRing_p_t_t, 0 |  0 );
5688   if (!SWIG_IsOK(res1)) {
5689     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorpOBRing___getslice__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBRing * > *""'");  }
5690    arg1 = reinterpret_cast< std::vector< OpenBabel::OBRing * > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
5691   if (!SWIG_IsOK(ecode2)) {
5692     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorpOBRing___getslice__" "', argument " "2"" of type '" "std::vector< OpenBabel::OBRing * >::difference_type""'"); }
5693     arg2 = static_cast< std::vector< OpenBabel::OBRing * >::difference_type >(val2); ecode3 = SWIG_AsVal_int(j, &val3);
5694   if (!SWIG_IsOK(ecode3)) {
5695     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vectorpOBRing___getslice__" "', argument " "3"" of type '" "std::vector< OpenBabel::OBRing * >::difference_type""'"); }
5696     arg3 = static_cast< std::vector< OpenBabel::OBRing * >::difference_type >(val3); try {
5697     result = (std::vector< OpenBabel::OBRing *,std::allocator< OpenBabel::OBRing * > > *)std_vector_Sl_OpenBabel_OBRing_Sm__Sg____getslice__(arg1,arg2,arg3);}
5698    catch(std::out_of_range &_e) {   return R_NilValue; ; }
5699   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBRing_p_std__allocatorT_OpenBabel__OBRing_p_t_t, R_SWIG_OWNER |  0 );
5700   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorpOBRing___setslice__(SEXP self,SEXP i,SEXP j,SEXP v)5701 SWIGEXPORT SEXP R_swig_vectorpOBRing___setslice__ ( SEXP self, SEXP i, SEXP j, SEXP v) {
5702   std::vector< OpenBabel::OBRing * > *arg1 = (std::vector< OpenBabel::OBRing * > *) 0 ;
5703   std::vector< OpenBabel::OBRing * >::difference_type arg2 ; std::vector< OpenBabel::OBRing * >::difference_type arg3 ;
5704   std::vector< OpenBabel::OBRing *,std::allocator< OpenBabel::OBRing * > > *arg4 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
5705   int val2 ; int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; int res4 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0;
5706   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5707   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBRing_p_std__allocatorT_OpenBabel__OBRing_p_t_t, 0 |  0 );
5708   if (!SWIG_IsOK(res1)) {
5709     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorpOBRing___setslice__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBRing * > *""'");  }
5710    arg1 = reinterpret_cast< std::vector< OpenBabel::OBRing * > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
5711   if (!SWIG_IsOK(ecode2)) {
5712     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorpOBRing___setslice__" "', argument " "2"" of type '" "std::vector< OpenBabel::OBRing * >::difference_type""'"); }
5713     arg2 = static_cast< std::vector< OpenBabel::OBRing * >::difference_type >(val2); ecode3 = SWIG_AsVal_int(j, &val3);
5714   if (!SWIG_IsOK(ecode3)) {
5715     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vectorpOBRing___setslice__" "', argument " "3"" of type '" "std::vector< OpenBabel::OBRing * >::difference_type""'"); }
5716     arg3 = static_cast< std::vector< OpenBabel::OBRing * >::difference_type >(val3); {
5717     std::vector<OpenBabel::OBRing*,std::allocator< OpenBabel::OBRing * > > *ptr = (std::vector<OpenBabel::OBRing*,std::allocator< OpenBabel::OBRing * > > *)0;
5718     res4 = swig::asptr(v, &ptr); if (!SWIG_IsOK(res4)) {
5719       SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "vectorpOBRing___setslice__" "', argument " "4"" of type '" "std::vector< OpenBabel::OBRing *,std::allocator< OpenBabel::OBRing * > > const &""'"); }
5720      if (!ptr) {
5721       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "vectorpOBRing___setslice__" "', argument " "4"" of type '" "std::vector< OpenBabel::OBRing *,std::allocator< OpenBabel::OBRing * > > const &""'"); }
5722      arg4 = ptr; }  try {
5723     std_vector_Sl_OpenBabel_OBRing_Sm__Sg____setslice__(arg1,arg2,arg3,(std::vector< OpenBabel::OBRing *,std::allocator< OpenBabel::OBRing * > > const &)*arg4);}
5724    catch(std::out_of_range &_e) {   return R_NilValue; ; }  catch(std::invalid_argument &_e) {   return R_NilValue; ; }
5725   r_ans = R_NilValue; if (SWIG_IsNewObj(res4)) delete arg4; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
5726   return r_ans; }
R_swig_vectorpOBRing___delslice__(SEXP self,SEXP i,SEXP j)5727 SWIGEXPORT SEXP R_swig_vectorpOBRing___delslice__ ( SEXP self, SEXP i, SEXP j) {
5728   std::vector< OpenBabel::OBRing * > *arg1 = (std::vector< OpenBabel::OBRing * > *) 0 ;
5729   std::vector< OpenBabel::OBRing * >::difference_type arg2 ; std::vector< OpenBabel::OBRing * >::difference_type arg3 ;
5730   void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0;
5731   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5732   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBRing_p_std__allocatorT_OpenBabel__OBRing_p_t_t, 0 |  0 );
5733   if (!SWIG_IsOK(res1)) {
5734     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorpOBRing___delslice__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBRing * > *""'");  }
5735    arg1 = reinterpret_cast< std::vector< OpenBabel::OBRing * > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
5736   if (!SWIG_IsOK(ecode2)) {
5737     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorpOBRing___delslice__" "', argument " "2"" of type '" "std::vector< OpenBabel::OBRing * >::difference_type""'"); }
5738     arg2 = static_cast< std::vector< OpenBabel::OBRing * >::difference_type >(val2); ecode3 = SWIG_AsVal_int(j, &val3);
5739   if (!SWIG_IsOK(ecode3)) {
5740     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vectorpOBRing___delslice__" "', argument " "3"" of type '" "std::vector< OpenBabel::OBRing * >::difference_type""'"); }
5741     arg3 = static_cast< std::vector< OpenBabel::OBRing * >::difference_type >(val3); try {
5742     std_vector_Sl_OpenBabel_OBRing_Sm__Sg____delslice__(arg1,arg2,arg3);}  catch(std::out_of_range &_e) {   return R_NilValue;
5743     ; }  r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorpOBRing___delitem__(SEXP self,SEXP i)5744 SWIGEXPORT SEXP R_swig_vectorpOBRing___delitem__ ( SEXP self, SEXP i) {
5745   std::vector< OpenBabel::OBRing * > *arg1 = (std::vector< OpenBabel::OBRing * > *) 0 ;
5746   std::vector< OpenBabel::OBRing * >::difference_type arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ;
5747   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5748   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBRing_p_std__allocatorT_OpenBabel__OBRing_p_t_t, 0 |  0 );
5749   if (!SWIG_IsOK(res1)) {
5750     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorpOBRing___delitem__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBRing * > *""'");  }
5751    arg1 = reinterpret_cast< std::vector< OpenBabel::OBRing * > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
5752   if (!SWIG_IsOK(ecode2)) {
5753     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorpOBRing___delitem__" "', argument " "2"" of type '" "std::vector< OpenBabel::OBRing * >::difference_type""'"); }
5754     arg2 = static_cast< std::vector< OpenBabel::OBRing * >::difference_type >(val2); try {
5755     std_vector_Sl_OpenBabel_OBRing_Sm__Sg____delitem__(arg1,arg2);}  catch(std::out_of_range &_e) {   return R_NilValue; ; }
5756   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorpOBRing___getitem__(SEXP self,SEXP i,SEXP s_swig_copy)5757 SWIGEXPORT SEXP R_swig_vectorpOBRing___getitem__ ( SEXP self, SEXP i, SEXP s_swig_copy) {
5758   std::vector< OpenBabel::OBRing * >::value_type result;
5759   std::vector< OpenBabel::OBRing * > *arg1 = (std::vector< OpenBabel::OBRing * > *) 0 ;
5760   std::vector< OpenBabel::OBRing * >::difference_type arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ;
5761   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5762   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBRing_p_std__allocatorT_OpenBabel__OBRing_p_t_t, 0 |  0 );
5763   if (!SWIG_IsOK(res1)) {
5764     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorpOBRing___getitem__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBRing * > *""'");  }
5765    arg1 = reinterpret_cast< std::vector< OpenBabel::OBRing * > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
5766   if (!SWIG_IsOK(ecode2)) {
5767     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorpOBRing___getitem__" "', argument " "2"" of type '" "std::vector< OpenBabel::OBRing * >::difference_type""'"); }
5768     arg2 = static_cast< std::vector< OpenBabel::OBRing * >::difference_type >(val2); try {
5769     result = (std::vector< OpenBabel::OBRing * >::value_type)std_vector_Sl_OpenBabel_OBRing_Sm__Sg____getitem__(arg1,arg2);}
5770   catch(std::out_of_range &_e) {   return R_NilValue; ; }
5771   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBRing, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
5772   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorpOBRing___setitem__(SEXP self,SEXP i,SEXP x)5773 SWIGEXPORT SEXP R_swig_vectorpOBRing___setitem__ ( SEXP self, SEXP i, SEXP x) {
5774   std::vector< OpenBabel::OBRing * > *arg1 = (std::vector< OpenBabel::OBRing * > *) 0 ;
5775   std::vector< OpenBabel::OBRing * >::difference_type arg2 ;
5776   std::vector< OpenBabel::OBRing * >::value_type arg3 = (std::vector< OpenBabel::OBRing * >::value_type) 0 ; void *argp1 = 0 ;
5777   int res1 = 0 ; int val2 ; int ecode2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0;
5778   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5779   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBRing_p_std__allocatorT_OpenBabel__OBRing_p_t_t, 0 |  0 );
5780   if (!SWIG_IsOK(res1)) {
5781     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorpOBRing___setitem__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBRing * > *""'");  }
5782    arg1 = reinterpret_cast< std::vector< OpenBabel::OBRing * > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
5783   if (!SWIG_IsOK(ecode2)) {
5784     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorpOBRing___setitem__" "', argument " "2"" of type '" "std::vector< OpenBabel::OBRing * >::difference_type""'"); }
5785     arg2 = static_cast< std::vector< OpenBabel::OBRing * >::difference_type >(val2);
5786   res3 = SWIG_R_ConvertPtr(x, &argp3, SWIGTYPE_p_OpenBabel__OBRing, 0 |  0 ); if (!SWIG_IsOK(res3)) {
5787     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "vectorpOBRing___setitem__" "', argument " "3"" of type '" "std::vector< OpenBabel::OBRing * >::value_type""'");  }
5788    arg3 = reinterpret_cast< std::vector< OpenBabel::OBRing * >::value_type >(argp3); try {
5789     std_vector_Sl_OpenBabel_OBRing_Sm__Sg____setitem__(arg1,arg2,arg3);}  catch(std::out_of_range &_e) {   return R_NilValue; ; }
5790    r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorpOBRing__SWIG_0()5791 SWIGEXPORT SEXP R_swig_new_vectorpOBRing__SWIG_0 ( ) { std::vector< OpenBabel::OBRing * > *result = 0 ;
5792   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5793   result = (std::vector< OpenBabel::OBRing * > *)new std::vector< OpenBabel::OBRing * >();
5794   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBRing_p_std__allocatorT_OpenBabel__OBRing_p_t_t, R_SWIG_OWNER |  0 );
5795   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorpOBRing__SWIG_1(SEXP s_arg1)5796 SWIGEXPORT SEXP R_swig_new_vectorpOBRing__SWIG_1 ( SEXP s_arg1) { std::vector< OpenBabel::OBRing * > *result = 0 ;
5797   std::vector< OpenBabel::OBRing * > *arg1 = 0 ; int res1 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
5798   VMAXTYPE r_vmax = vmaxget() ; {
5799     std::vector<OpenBabel::OBRing*,std::allocator< OpenBabel::OBRing * > > *ptr = (std::vector<OpenBabel::OBRing*,std::allocator< OpenBabel::OBRing * > > *)0;
5800     res1 = swig::asptr(s_arg1, &ptr); if (!SWIG_IsOK(res1)) {
5801       SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_vectorpOBRing" "', argument " "1"" of type '" "std::vector< OpenBabel::OBRing * > const &""'"); }
5802      if (!ptr) {
5803       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_vectorpOBRing" "', argument " "1"" of type '" "std::vector< OpenBabel::OBRing * > const &""'"); }
5804      arg1 = ptr; }
5805   result = (std::vector< OpenBabel::OBRing * > *)new std::vector< OpenBabel::OBRing * >((std::vector< OpenBabel::OBRing * > const &)*arg1);
5806   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBRing_p_std__allocatorT_OpenBabel__OBRing_p_t_t, R_SWIG_OWNER |  0 );
5807   if (SWIG_IsNewObj(res1)) delete arg1; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorpOBRing_size(SEXP self,SEXP s_swig_copy)5808 SWIGEXPORT SEXP R_swig_vectorpOBRing_size ( SEXP self, SEXP s_swig_copy) { std::vector< OpenBabel::OBRing * >::size_type result;
5809   std::vector< OpenBabel::OBRing * > *arg1 = (std::vector< OpenBabel::OBRing * > *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
5810   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5811   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBRing_p_std__allocatorT_OpenBabel__OBRing_p_t_t, 0 |  0 );
5812   if (!SWIG_IsOK(res1)) {
5813     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorpOBRing_size" "', argument " "1"" of type '" "std::vector< OpenBabel::OBRing * > const *""'");  }
5814    arg1 = reinterpret_cast< std::vector< OpenBabel::OBRing * > * >(argp1);
5815   result = ((std::vector< OpenBabel::OBRing * > const *)arg1)->size(); r_ans = SWIG_From_int(static_cast< int >(result));
5816   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorpOBRing__SWIG_2(SEXP size)5817 SWIGEXPORT SEXP R_swig_new_vectorpOBRing__SWIG_2 ( SEXP size) { std::vector< OpenBabel::OBRing * > *result = 0 ;
5818   std::vector< OpenBabel::OBRing * >::size_type arg1 ; int val1 ; int ecode1 = 0 ; unsigned int r_nprotect = 0;
5819   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; ecode1 = SWIG_AsVal_int(size, &val1); if (!SWIG_IsOK(ecode1)) {
5820     SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "new_vectorpOBRing" "', argument " "1"" of type '" "std::vector< OpenBabel::OBRing * >::size_type""'"); }
5821     arg1 = static_cast< std::vector< OpenBabel::OBRing * >::size_type >(val1);
5822   result = (std::vector< OpenBabel::OBRing * > *)new std::vector< OpenBabel::OBRing * >(arg1);
5823   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBRing_p_std__allocatorT_OpenBabel__OBRing_p_t_t, R_SWIG_OWNER |  0 );
5824   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorpOBRing__SWIG_3(SEXP size,SEXP value)5825 SWIGEXPORT SEXP R_swig_new_vectorpOBRing__SWIG_3 ( SEXP size, SEXP value) { std::vector< OpenBabel::OBRing * > *result = 0 ;
5826   std::vector< OpenBabel::OBRing * >::size_type arg1 ;
5827   std::vector< OpenBabel::OBRing * >::value_type arg2 = (std::vector< OpenBabel::OBRing * >::value_type) 0 ; int val1 ;
5828   int ecode1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
5829   VMAXTYPE r_vmax = vmaxget() ; ecode1 = SWIG_AsVal_int(size, &val1); if (!SWIG_IsOK(ecode1)) {
5830     SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "new_vectorpOBRing" "', argument " "1"" of type '" "std::vector< OpenBabel::OBRing * >::size_type""'"); }
5831     arg1 = static_cast< std::vector< OpenBabel::OBRing * >::size_type >(val1);
5832   res2 = SWIG_R_ConvertPtr(value, &argp2, SWIGTYPE_p_OpenBabel__OBRing, 0 |  0 ); if (!SWIG_IsOK(res2)) {
5833     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_vectorpOBRing" "', argument " "2"" of type '" "std::vector< OpenBabel::OBRing * >::value_type""'");  }
5834    arg2 = reinterpret_cast< std::vector< OpenBabel::OBRing * >::value_type >(argp2);
5835   result = (std::vector< OpenBabel::OBRing * > *)new std::vector< OpenBabel::OBRing * >(arg1,arg2);
5836   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBRing_p_std__allocatorT_OpenBabel__OBRing_p_t_t, R_SWIG_OWNER |  0 );
5837   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_vectorpOBRing(SEXP self)5838 SWIGEXPORT SEXP R_swig_delete_vectorpOBRing ( SEXP self) {
5839   std::vector< OpenBabel::OBRing * > *arg1 = (std::vector< OpenBabel::OBRing * > *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
5840   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5841   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBRing_p_std__allocatorT_OpenBabel__OBRing_p_t_t, SWIG_POINTER_DISOWN |  0 );
5842   if (!SWIG_IsOK(res1)) {
5843     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_vectorpOBRing" "', argument " "1"" of type '" "std::vector< OpenBabel::OBRing * > *""'");  }
5844    arg1 = reinterpret_cast< std::vector< OpenBabel::OBRing * > * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
5845   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_vectorpOBGenericData___nonzero__(SEXP self,SEXP s_swig_copy)5846 SWIGEXPORT SEXP R_swig_vectorpOBGenericData___nonzero__ ( SEXP self, SEXP s_swig_copy) { bool result;
5847   std::vector< OpenBabel::OBGenericData * > *arg1 = (std::vector< OpenBabel::OBGenericData * > *) 0 ; void *argp1 = 0 ;
5848   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5849   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t, 0 |  0 );
5850   if (!SWIG_IsOK(res1)) {
5851     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorpOBGenericData___nonzero__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBGenericData * > const *""'");  }
5852    arg1 = reinterpret_cast< std::vector< OpenBabel::OBGenericData * > * >(argp1);
5853   result = (bool)std_vector_Sl_OpenBabel_OBGenericData_Sm__Sg____nonzero__((std::vector< OpenBabel::OBGenericData * > const *)arg1);
5854   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorpOBGenericData___len__(SEXP self,SEXP s_swig_copy)5855 SWIGEXPORT SEXP R_swig_vectorpOBGenericData___len__ ( SEXP self, SEXP s_swig_copy) {
5856   std::vector< OpenBabel::OBGenericData * >::size_type result;
5857   std::vector< OpenBabel::OBGenericData * > *arg1 = (std::vector< OpenBabel::OBGenericData * > *) 0 ; void *argp1 = 0 ;
5858   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5859   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t, 0 |  0 );
5860   if (!SWIG_IsOK(res1)) {
5861     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorpOBGenericData___len__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBGenericData * > const *""'");  }
5862    arg1 = reinterpret_cast< std::vector< OpenBabel::OBGenericData * > * >(argp1);
5863   result = std_vector_Sl_OpenBabel_OBGenericData_Sm__Sg____len__((std::vector< OpenBabel::OBGenericData * > const *)arg1);
5864   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorpOBGenericData___getslice__(SEXP self,SEXP i,SEXP j)5865 SWIGEXPORT SEXP R_swig_vectorpOBGenericData___getslice__ ( SEXP self, SEXP i, SEXP j) {
5866   std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > *result = 0 ;
5867   std::vector< OpenBabel::OBGenericData * > *arg1 = (std::vector< OpenBabel::OBGenericData * > *) 0 ;
5868   std::vector< OpenBabel::OBGenericData * >::difference_type arg2 ;
5869   std::vector< OpenBabel::OBGenericData * >::difference_type arg3 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ;
5870   int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5871   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t, 0 |  0 );
5872   if (!SWIG_IsOK(res1)) {
5873     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorpOBGenericData___getslice__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBGenericData * > *""'");  }
5874    arg1 = reinterpret_cast< std::vector< OpenBabel::OBGenericData * > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
5875   if (!SWIG_IsOK(ecode2)) {
5876     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorpOBGenericData___getslice__" "', argument " "2"" of type '" "std::vector< OpenBabel::OBGenericData * >::difference_type""'"); }
5877     arg2 = static_cast< std::vector< OpenBabel::OBGenericData * >::difference_type >(val2); ecode3 = SWIG_AsVal_int(j, &val3);
5878   if (!SWIG_IsOK(ecode3)) {
5879     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vectorpOBGenericData___getslice__" "', argument " "3"" of type '" "std::vector< OpenBabel::OBGenericData * >::difference_type""'"); }
5880     arg3 = static_cast< std::vector< OpenBabel::OBGenericData * >::difference_type >(val3); try {
5881     result = (std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > *)std_vector_Sl_OpenBabel_OBGenericData_Sm__Sg____getslice__(arg1,arg2,arg3);}
5882    catch(std::out_of_range &_e) {   return R_NilValue; ; }
5883   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t, R_SWIG_OWNER |  0 );
5884   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorpOBGenericData___setslice__(SEXP self,SEXP i,SEXP j,SEXP v)5885 SWIGEXPORT SEXP R_swig_vectorpOBGenericData___setslice__ ( SEXP self, SEXP i, SEXP j, SEXP v) {
5886   std::vector< OpenBabel::OBGenericData * > *arg1 = (std::vector< OpenBabel::OBGenericData * > *) 0 ;
5887   std::vector< OpenBabel::OBGenericData * >::difference_type arg2 ;
5888   std::vector< OpenBabel::OBGenericData * >::difference_type arg3 ;
5889   std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > *arg4 = 0 ; void *argp1 = 0 ;
5890   int res1 = 0 ; int val2 ; int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; int res4 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0;
5891   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5892   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t, 0 |  0 );
5893   if (!SWIG_IsOK(res1)) {
5894     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorpOBGenericData___setslice__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBGenericData * > *""'");  }
5895    arg1 = reinterpret_cast< std::vector< OpenBabel::OBGenericData * > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
5896   if (!SWIG_IsOK(ecode2)) {
5897     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorpOBGenericData___setslice__" "', argument " "2"" of type '" "std::vector< OpenBabel::OBGenericData * >::difference_type""'"); }
5898     arg2 = static_cast< std::vector< OpenBabel::OBGenericData * >::difference_type >(val2); ecode3 = SWIG_AsVal_int(j, &val3);
5899   if (!SWIG_IsOK(ecode3)) {
5900     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vectorpOBGenericData___setslice__" "', argument " "3"" of type '" "std::vector< OpenBabel::OBGenericData * >::difference_type""'"); }
5901     arg3 = static_cast< std::vector< OpenBabel::OBGenericData * >::difference_type >(val3); {
5902     std::vector<OpenBabel::OBGenericData*,std::allocator< OpenBabel::OBGenericData * > > *ptr = (std::vector<OpenBabel::OBGenericData*,std::allocator< OpenBabel::OBGenericData * > > *)0;
5903     res4 = swig::asptr(v, &ptr); if (!SWIG_IsOK(res4)) {
5904       SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "vectorpOBGenericData___setslice__" "', argument " "4"" of type '" "std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > const &""'"); }
5905      if (!ptr) {
5906       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "vectorpOBGenericData___setslice__" "', argument " "4"" of type '" "std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > const &""'"); }
5907      arg4 = ptr; }  try {
5908     std_vector_Sl_OpenBabel_OBGenericData_Sm__Sg____setslice__(arg1,arg2,arg3,(std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > const &)*arg4);}
5909    catch(std::out_of_range &_e) {   return R_NilValue; ; }  catch(std::invalid_argument &_e) {   return R_NilValue; ; }
5910   r_ans = R_NilValue; if (SWIG_IsNewObj(res4)) delete arg4; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
5911   return r_ans; }
R_swig_vectorpOBGenericData___delslice__(SEXP self,SEXP i,SEXP j)5912 SWIGEXPORT SEXP R_swig_vectorpOBGenericData___delslice__ ( SEXP self, SEXP i, SEXP j) {
5913   std::vector< OpenBabel::OBGenericData * > *arg1 = (std::vector< OpenBabel::OBGenericData * > *) 0 ;
5914   std::vector< OpenBabel::OBGenericData * >::difference_type arg2 ;
5915   std::vector< OpenBabel::OBGenericData * >::difference_type arg3 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ;
5916   int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5917   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t, 0 |  0 );
5918   if (!SWIG_IsOK(res1)) {
5919     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorpOBGenericData___delslice__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBGenericData * > *""'");  }
5920    arg1 = reinterpret_cast< std::vector< OpenBabel::OBGenericData * > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
5921   if (!SWIG_IsOK(ecode2)) {
5922     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorpOBGenericData___delslice__" "', argument " "2"" of type '" "std::vector< OpenBabel::OBGenericData * >::difference_type""'"); }
5923     arg2 = static_cast< std::vector< OpenBabel::OBGenericData * >::difference_type >(val2); ecode3 = SWIG_AsVal_int(j, &val3);
5924   if (!SWIG_IsOK(ecode3)) {
5925     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vectorpOBGenericData___delslice__" "', argument " "3"" of type '" "std::vector< OpenBabel::OBGenericData * >::difference_type""'"); }
5926     arg3 = static_cast< std::vector< OpenBabel::OBGenericData * >::difference_type >(val3); try {
5927     std_vector_Sl_OpenBabel_OBGenericData_Sm__Sg____delslice__(arg1,arg2,arg3);}  catch(std::out_of_range &_e) {
5928     return R_NilValue; ; }  r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorpOBGenericData___delitem__(SEXP self,SEXP i)5929 SWIGEXPORT SEXP R_swig_vectorpOBGenericData___delitem__ ( SEXP self, SEXP i) {
5930   std::vector< OpenBabel::OBGenericData * > *arg1 = (std::vector< OpenBabel::OBGenericData * > *) 0 ;
5931   std::vector< OpenBabel::OBGenericData * >::difference_type arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ;
5932   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5933   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t, 0 |  0 );
5934   if (!SWIG_IsOK(res1)) {
5935     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorpOBGenericData___delitem__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBGenericData * > *""'");  }
5936    arg1 = reinterpret_cast< std::vector< OpenBabel::OBGenericData * > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
5937   if (!SWIG_IsOK(ecode2)) {
5938     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorpOBGenericData___delitem__" "', argument " "2"" of type '" "std::vector< OpenBabel::OBGenericData * >::difference_type""'"); }
5939     arg2 = static_cast< std::vector< OpenBabel::OBGenericData * >::difference_type >(val2); try {
5940     std_vector_Sl_OpenBabel_OBGenericData_Sm__Sg____delitem__(arg1,arg2);}  catch(std::out_of_range &_e) {   return R_NilValue;
5941     ; }  r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorpOBGenericData___getitem__(SEXP self,SEXP i,SEXP s_swig_copy)5942 SWIGEXPORT SEXP R_swig_vectorpOBGenericData___getitem__ ( SEXP self, SEXP i, SEXP s_swig_copy) {
5943   std::vector< OpenBabel::OBGenericData * >::value_type result;
5944   std::vector< OpenBabel::OBGenericData * > *arg1 = (std::vector< OpenBabel::OBGenericData * > *) 0 ;
5945   std::vector< OpenBabel::OBGenericData * >::difference_type arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ;
5946   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5947   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t, 0 |  0 );
5948   if (!SWIG_IsOK(res1)) {
5949     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorpOBGenericData___getitem__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBGenericData * > *""'");  }
5950    arg1 = reinterpret_cast< std::vector< OpenBabel::OBGenericData * > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
5951   if (!SWIG_IsOK(ecode2)) {
5952     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorpOBGenericData___getitem__" "', argument " "2"" of type '" "std::vector< OpenBabel::OBGenericData * >::difference_type""'"); }
5953     arg2 = static_cast< std::vector< OpenBabel::OBGenericData * >::difference_type >(val2); try {
5954     result = (std::vector< OpenBabel::OBGenericData * >::value_type)std_vector_Sl_OpenBabel_OBGenericData_Sm__Sg____getitem__(arg1,arg2);}
5955    catch(std::out_of_range &_e) {   return R_NilValue; ; }
5956   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGenericData, R_SWIG_EXTERNAL |  0 );
5957   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorpOBGenericData___setitem__(SEXP self,SEXP i,SEXP x)5958 SWIGEXPORT SEXP R_swig_vectorpOBGenericData___setitem__ ( SEXP self, SEXP i, SEXP x) {
5959   std::vector< OpenBabel::OBGenericData * > *arg1 = (std::vector< OpenBabel::OBGenericData * > *) 0 ;
5960   std::vector< OpenBabel::OBGenericData * >::difference_type arg2 ;
5961   std::vector< OpenBabel::OBGenericData * >::value_type arg3 = (std::vector< OpenBabel::OBGenericData * >::value_type) 0 ;
5962   void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0;
5963   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5964   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t, 0 |  0 );
5965   if (!SWIG_IsOK(res1)) {
5966     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorpOBGenericData___setitem__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBGenericData * > *""'");  }
5967    arg1 = reinterpret_cast< std::vector< OpenBabel::OBGenericData * > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
5968   if (!SWIG_IsOK(ecode2)) {
5969     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorpOBGenericData___setitem__" "', argument " "2"" of type '" "std::vector< OpenBabel::OBGenericData * >::difference_type""'"); }
5970     arg2 = static_cast< std::vector< OpenBabel::OBGenericData * >::difference_type >(val2);
5971   res3 = SWIG_R_ConvertPtr(x, &argp3, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res3)) {
5972     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "vectorpOBGenericData___setitem__" "', argument " "3"" of type '" "std::vector< OpenBabel::OBGenericData * >::value_type""'");  }
5973    arg3 = reinterpret_cast< std::vector< OpenBabel::OBGenericData * >::value_type >(argp3); try {
5974     std_vector_Sl_OpenBabel_OBGenericData_Sm__Sg____setitem__(arg1,arg2,arg3);}  catch(std::out_of_range &_e) {
5975     return R_NilValue; ; }  r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorpOBGenericData__SWIG_0()5976 SWIGEXPORT SEXP R_swig_new_vectorpOBGenericData__SWIG_0 ( ) { std::vector< OpenBabel::OBGenericData * > *result = 0 ;
5977   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5978   result = (std::vector< OpenBabel::OBGenericData * > *)new std::vector< OpenBabel::OBGenericData * >();
5979   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t, R_SWIG_OWNER |  0 );
5980   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorpOBGenericData__SWIG_1(SEXP s_arg1)5981 SWIGEXPORT SEXP R_swig_new_vectorpOBGenericData__SWIG_1 ( SEXP s_arg1) { std::vector< OpenBabel::OBGenericData * > *result = 0 ;
5982   std::vector< OpenBabel::OBGenericData * > *arg1 = 0 ; int res1 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0;
5983   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; {
5984     std::vector<OpenBabel::OBGenericData*,std::allocator< OpenBabel::OBGenericData * > > *ptr = (std::vector<OpenBabel::OBGenericData*,std::allocator< OpenBabel::OBGenericData * > > *)0;
5985     res1 = swig::asptr(s_arg1, &ptr); if (!SWIG_IsOK(res1)) {
5986       SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_vectorpOBGenericData" "', argument " "1"" of type '" "std::vector< OpenBabel::OBGenericData * > const &""'"); }
5987      if (!ptr) {
5988       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_vectorpOBGenericData" "', argument " "1"" of type '" "std::vector< OpenBabel::OBGenericData * > const &""'"); }
5989      arg1 = ptr; }
5990   result = (std::vector< OpenBabel::OBGenericData * > *)new std::vector< OpenBabel::OBGenericData * >((std::vector< OpenBabel::OBGenericData * > const &)*arg1);
5991   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t, R_SWIG_OWNER |  0 );
5992   if (SWIG_IsNewObj(res1)) delete arg1; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorpOBGenericData_size(SEXP self,SEXP s_swig_copy)5993 SWIGEXPORT SEXP R_swig_vectorpOBGenericData_size ( SEXP self, SEXP s_swig_copy) {
5994   std::vector< OpenBabel::OBGenericData * >::size_type result;
5995   std::vector< OpenBabel::OBGenericData * > *arg1 = (std::vector< OpenBabel::OBGenericData * > *) 0 ; void *argp1 = 0 ;
5996   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
5997   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t, 0 |  0 );
5998   if (!SWIG_IsOK(res1)) {
5999     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorpOBGenericData_size" "', argument " "1"" of type '" "std::vector< OpenBabel::OBGenericData * > const *""'");  }
6000    arg1 = reinterpret_cast< std::vector< OpenBabel::OBGenericData * > * >(argp1);
6001   result = ((std::vector< OpenBabel::OBGenericData * > const *)arg1)->size(); r_ans = SWIG_From_int(static_cast< int >(result));
6002   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorpOBGenericData__SWIG_2(SEXP size)6003 SWIGEXPORT SEXP R_swig_new_vectorpOBGenericData__SWIG_2 ( SEXP size) { std::vector< OpenBabel::OBGenericData * > *result = 0 ;
6004   std::vector< OpenBabel::OBGenericData * >::size_type arg1 ; int val1 ; int ecode1 = 0 ; unsigned int r_nprotect = 0;
6005   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; ecode1 = SWIG_AsVal_int(size, &val1); if (!SWIG_IsOK(ecode1)) {
6006     SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "new_vectorpOBGenericData" "', argument " "1"" of type '" "std::vector< OpenBabel::OBGenericData * >::size_type""'"); }
6007     arg1 = static_cast< std::vector< OpenBabel::OBGenericData * >::size_type >(val1);
6008   result = (std::vector< OpenBabel::OBGenericData * > *)new std::vector< OpenBabel::OBGenericData * >(arg1);
6009   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t, R_SWIG_OWNER |  0 );
6010   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorpOBGenericData__SWIG_3(SEXP size,SEXP value)6011 SWIGEXPORT SEXP R_swig_new_vectorpOBGenericData__SWIG_3 ( SEXP size, SEXP value) {
6012   std::vector< OpenBabel::OBGenericData * > *result = 0 ; std::vector< OpenBabel::OBGenericData * >::size_type arg1 ;
6013   std::vector< OpenBabel::OBGenericData * >::value_type arg2 = (std::vector< OpenBabel::OBGenericData * >::value_type) 0 ;
6014   int val1 ; int ecode1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
6015   VMAXTYPE r_vmax = vmaxget() ; ecode1 = SWIG_AsVal_int(size, &val1); if (!SWIG_IsOK(ecode1)) {
6016     SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "new_vectorpOBGenericData" "', argument " "1"" of type '" "std::vector< OpenBabel::OBGenericData * >::size_type""'"); }
6017     arg1 = static_cast< std::vector< OpenBabel::OBGenericData * >::size_type >(val1);
6018   res2 = SWIG_R_ConvertPtr(value, &argp2, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res2)) {
6019     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_vectorpOBGenericData" "', argument " "2"" of type '" "std::vector< OpenBabel::OBGenericData * >::value_type""'");  }
6020    arg2 = reinterpret_cast< std::vector< OpenBabel::OBGenericData * >::value_type >(argp2);
6021   result = (std::vector< OpenBabel::OBGenericData * > *)new std::vector< OpenBabel::OBGenericData * >(arg1,arg2);
6022   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t, R_SWIG_OWNER |  0 );
6023   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_vectorpOBGenericData(SEXP self)6024 SWIGEXPORT SEXP R_swig_delete_vectorpOBGenericData ( SEXP self) {
6025   std::vector< OpenBabel::OBGenericData * > *arg1 = (std::vector< OpenBabel::OBGenericData * > *) 0 ; void *argp1 = 0 ;
6026   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6027   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t, SWIG_POINTER_DISOWN |  0 );
6028   if (!SWIG_IsOK(res1)) {
6029     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_vectorpOBGenericData" "', argument " "1"" of type '" "std::vector< OpenBabel::OBGenericData * > *""'");  }
6030    arg1 = reinterpret_cast< std::vector< OpenBabel::OBGenericData * > * >(argp1); delete arg1; r_ans = R_NilValue;
6031   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_vectorpOBInternalCoord___nonzero__(SEXP self,SEXP s_swig_copy)6032 SWIGEXPORT SEXP R_swig_vectorpOBInternalCoord___nonzero__ ( SEXP self, SEXP s_swig_copy) { bool result;
6033   std::vector< OpenBabel::OBInternalCoord * > *arg1 = (std::vector< OpenBabel::OBInternalCoord * > *) 0 ; void *argp1 = 0 ;
6034   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6035   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBInternalCoord_p_std__allocatorT_OpenBabel__OBInternalCoord_p_t_t, 0 |  0 );
6036   if (!SWIG_IsOK(res1)) {
6037     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorpOBInternalCoord___nonzero__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBInternalCoord * > const *""'");  }
6038    arg1 = reinterpret_cast< std::vector< OpenBabel::OBInternalCoord * > * >(argp1);
6039   result = (bool)std_vector_Sl_OpenBabel_OBInternalCoord_Sm__Sg____nonzero__((std::vector< OpenBabel::OBInternalCoord * > const *)arg1);
6040   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorpOBInternalCoord___len__(SEXP self,SEXP s_swig_copy)6041 SWIGEXPORT SEXP R_swig_vectorpOBInternalCoord___len__ ( SEXP self, SEXP s_swig_copy) {
6042   std::vector< OpenBabel::OBInternalCoord * >::size_type result;
6043   std::vector< OpenBabel::OBInternalCoord * > *arg1 = (std::vector< OpenBabel::OBInternalCoord * > *) 0 ; void *argp1 = 0 ;
6044   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6045   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBInternalCoord_p_std__allocatorT_OpenBabel__OBInternalCoord_p_t_t, 0 |  0 );
6046   if (!SWIG_IsOK(res1)) {
6047     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorpOBInternalCoord___len__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBInternalCoord * > const *""'");  }
6048    arg1 = reinterpret_cast< std::vector< OpenBabel::OBInternalCoord * > * >(argp1);
6049   result = std_vector_Sl_OpenBabel_OBInternalCoord_Sm__Sg____len__((std::vector< OpenBabel::OBInternalCoord * > const *)arg1);
6050   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorpOBInternalCoord___getslice__(SEXP self,SEXP i,SEXP j)6051 SWIGEXPORT SEXP R_swig_vectorpOBInternalCoord___getslice__ ( SEXP self, SEXP i, SEXP j) {
6052   std::vector< OpenBabel::OBInternalCoord *,std::allocator< OpenBabel::OBInternalCoord * > > *result = 0 ;
6053   std::vector< OpenBabel::OBInternalCoord * > *arg1 = (std::vector< OpenBabel::OBInternalCoord * > *) 0 ;
6054   std::vector< OpenBabel::OBInternalCoord * >::difference_type arg2 ;
6055   std::vector< OpenBabel::OBInternalCoord * >::difference_type arg3 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ;
6056   int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
6057   VMAXTYPE r_vmax = vmaxget() ;
6058   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBInternalCoord_p_std__allocatorT_OpenBabel__OBInternalCoord_p_t_t, 0 |  0 );
6059   if (!SWIG_IsOK(res1)) {
6060     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorpOBInternalCoord___getslice__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBInternalCoord * > *""'");  }
6061    arg1 = reinterpret_cast< std::vector< OpenBabel::OBInternalCoord * > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
6062   if (!SWIG_IsOK(ecode2)) {
6063     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorpOBInternalCoord___getslice__" "', argument " "2"" of type '" "std::vector< OpenBabel::OBInternalCoord * >::difference_type""'"); }
6064     arg2 = static_cast< std::vector< OpenBabel::OBInternalCoord * >::difference_type >(val2); ecode3 = SWIG_AsVal_int(j, &val3);
6065   if (!SWIG_IsOK(ecode3)) {
6066     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vectorpOBInternalCoord___getslice__" "', argument " "3"" of type '" "std::vector< OpenBabel::OBInternalCoord * >::difference_type""'"); }
6067     arg3 = static_cast< std::vector< OpenBabel::OBInternalCoord * >::difference_type >(val3); try {
6068     result = (std::vector< OpenBabel::OBInternalCoord *,std::allocator< OpenBabel::OBInternalCoord * > > *)std_vector_Sl_OpenBabel_OBInternalCoord_Sm__Sg____getslice__(arg1,arg2,arg3);}
6069    catch(std::out_of_range &_e) {   return R_NilValue; ; }
6070   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBInternalCoord_p_std__allocatorT_OpenBabel__OBInternalCoord_p_t_t, R_SWIG_OWNER |  0 );
6071   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorpOBInternalCoord___setslice__(SEXP self,SEXP i,SEXP j,SEXP v)6072 SWIGEXPORT SEXP R_swig_vectorpOBInternalCoord___setslice__ ( SEXP self, SEXP i, SEXP j, SEXP v) {
6073   std::vector< OpenBabel::OBInternalCoord * > *arg1 = (std::vector< OpenBabel::OBInternalCoord * > *) 0 ;
6074   std::vector< OpenBabel::OBInternalCoord * >::difference_type arg2 ;
6075   std::vector< OpenBabel::OBInternalCoord * >::difference_type arg3 ;
6076   std::vector< OpenBabel::OBInternalCoord *,std::allocator< OpenBabel::OBInternalCoord * > > *arg4 = 0 ; void *argp1 = 0 ;
6077   int res1 = 0 ; int val2 ; int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; int res4 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0;
6078   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6079   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBInternalCoord_p_std__allocatorT_OpenBabel__OBInternalCoord_p_t_t, 0 |  0 );
6080   if (!SWIG_IsOK(res1)) {
6081     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorpOBInternalCoord___setslice__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBInternalCoord * > *""'");  }
6082    arg1 = reinterpret_cast< std::vector< OpenBabel::OBInternalCoord * > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
6083   if (!SWIG_IsOK(ecode2)) {
6084     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorpOBInternalCoord___setslice__" "', argument " "2"" of type '" "std::vector< OpenBabel::OBInternalCoord * >::difference_type""'"); }
6085     arg2 = static_cast< std::vector< OpenBabel::OBInternalCoord * >::difference_type >(val2); ecode3 = SWIG_AsVal_int(j, &val3);
6086   if (!SWIG_IsOK(ecode3)) {
6087     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vectorpOBInternalCoord___setslice__" "', argument " "3"" of type '" "std::vector< OpenBabel::OBInternalCoord * >::difference_type""'"); }
6088     arg3 = static_cast< std::vector< OpenBabel::OBInternalCoord * >::difference_type >(val3); {
6089     std::vector<OpenBabel::OBInternalCoord*,std::allocator< OpenBabel::OBInternalCoord * > > *ptr = (std::vector<OpenBabel::OBInternalCoord*,std::allocator< OpenBabel::OBInternalCoord * > > *)0;
6090     res4 = swig::asptr(v, &ptr); if (!SWIG_IsOK(res4)) {
6091       SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "vectorpOBInternalCoord___setslice__" "', argument " "4"" of type '" "std::vector< OpenBabel::OBInternalCoord *,std::allocator< OpenBabel::OBInternalCoord * > > const &""'"); }
6092      if (!ptr) {
6093       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "vectorpOBInternalCoord___setslice__" "', argument " "4"" of type '" "std::vector< OpenBabel::OBInternalCoord *,std::allocator< OpenBabel::OBInternalCoord * > > const &""'"); }
6094      arg4 = ptr; }  try {
6095     std_vector_Sl_OpenBabel_OBInternalCoord_Sm__Sg____setslice__(arg1,arg2,arg3,(std::vector< OpenBabel::OBInternalCoord *,std::allocator< OpenBabel::OBInternalCoord * > > const &)*arg4);}
6096    catch(std::out_of_range &_e) {   return R_NilValue; ; }  catch(std::invalid_argument &_e) {   return R_NilValue; ; }
6097   r_ans = R_NilValue; if (SWIG_IsNewObj(res4)) delete arg4; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
6098   return r_ans; }
R_swig_vectorpOBInternalCoord___delslice__(SEXP self,SEXP i,SEXP j)6099 SWIGEXPORT SEXP R_swig_vectorpOBInternalCoord___delslice__ ( SEXP self, SEXP i, SEXP j) {
6100   std::vector< OpenBabel::OBInternalCoord * > *arg1 = (std::vector< OpenBabel::OBInternalCoord * > *) 0 ;
6101   std::vector< OpenBabel::OBInternalCoord * >::difference_type arg2 ;
6102   std::vector< OpenBabel::OBInternalCoord * >::difference_type arg3 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ;
6103   int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
6104   VMAXTYPE r_vmax = vmaxget() ;
6105   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBInternalCoord_p_std__allocatorT_OpenBabel__OBInternalCoord_p_t_t, 0 |  0 );
6106   if (!SWIG_IsOK(res1)) {
6107     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorpOBInternalCoord___delslice__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBInternalCoord * > *""'");  }
6108    arg1 = reinterpret_cast< std::vector< OpenBabel::OBInternalCoord * > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
6109   if (!SWIG_IsOK(ecode2)) {
6110     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorpOBInternalCoord___delslice__" "', argument " "2"" of type '" "std::vector< OpenBabel::OBInternalCoord * >::difference_type""'"); }
6111     arg2 = static_cast< std::vector< OpenBabel::OBInternalCoord * >::difference_type >(val2); ecode3 = SWIG_AsVal_int(j, &val3);
6112   if (!SWIG_IsOK(ecode3)) {
6113     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vectorpOBInternalCoord___delslice__" "', argument " "3"" of type '" "std::vector< OpenBabel::OBInternalCoord * >::difference_type""'"); }
6114     arg3 = static_cast< std::vector< OpenBabel::OBInternalCoord * >::difference_type >(val3); try {
6115     std_vector_Sl_OpenBabel_OBInternalCoord_Sm__Sg____delslice__(arg1,arg2,arg3);}  catch(std::out_of_range &_e) {
6116     return R_NilValue; ; }  r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorpOBInternalCoord___delitem__(SEXP self,SEXP i)6117 SWIGEXPORT SEXP R_swig_vectorpOBInternalCoord___delitem__ ( SEXP self, SEXP i) {
6118   std::vector< OpenBabel::OBInternalCoord * > *arg1 = (std::vector< OpenBabel::OBInternalCoord * > *) 0 ;
6119   std::vector< OpenBabel::OBInternalCoord * >::difference_type arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ;
6120   int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6121   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBInternalCoord_p_std__allocatorT_OpenBabel__OBInternalCoord_p_t_t, 0 |  0 );
6122   if (!SWIG_IsOK(res1)) {
6123     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorpOBInternalCoord___delitem__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBInternalCoord * > *""'");  }
6124    arg1 = reinterpret_cast< std::vector< OpenBabel::OBInternalCoord * > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
6125   if (!SWIG_IsOK(ecode2)) {
6126     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorpOBInternalCoord___delitem__" "', argument " "2"" of type '" "std::vector< OpenBabel::OBInternalCoord * >::difference_type""'"); }
6127     arg2 = static_cast< std::vector< OpenBabel::OBInternalCoord * >::difference_type >(val2); try {
6128     std_vector_Sl_OpenBabel_OBInternalCoord_Sm__Sg____delitem__(arg1,arg2);}  catch(std::out_of_range &_e) {
6129     return R_NilValue; ; }  r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorpOBInternalCoord___getitem__(SEXP self,SEXP i,SEXP s_swig_copy)6130 SWIGEXPORT SEXP R_swig_vectorpOBInternalCoord___getitem__ ( SEXP self, SEXP i, SEXP s_swig_copy) {
6131   std::vector< OpenBabel::OBInternalCoord * >::value_type result;
6132   std::vector< OpenBabel::OBInternalCoord * > *arg1 = (std::vector< OpenBabel::OBInternalCoord * > *) 0 ;
6133   std::vector< OpenBabel::OBInternalCoord * >::difference_type arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ;
6134   int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6135   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBInternalCoord_p_std__allocatorT_OpenBabel__OBInternalCoord_p_t_t, 0 |  0 );
6136   if (!SWIG_IsOK(res1)) {
6137     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorpOBInternalCoord___getitem__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBInternalCoord * > *""'");  }
6138    arg1 = reinterpret_cast< std::vector< OpenBabel::OBInternalCoord * > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
6139   if (!SWIG_IsOK(ecode2)) {
6140     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorpOBInternalCoord___getitem__" "', argument " "2"" of type '" "std::vector< OpenBabel::OBInternalCoord * >::difference_type""'"); }
6141     arg2 = static_cast< std::vector< OpenBabel::OBInternalCoord * >::difference_type >(val2); try {
6142     result = (std::vector< OpenBabel::OBInternalCoord * >::value_type)std_vector_Sl_OpenBabel_OBInternalCoord_Sm__Sg____getitem__(arg1,arg2);}
6143    catch(std::out_of_range &_e) {   return R_NilValue; ; }
6144   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBInternalCoord, R_SWIG_EXTERNAL |  0 );
6145   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorpOBInternalCoord___setitem__(SEXP self,SEXP i,SEXP x)6146 SWIGEXPORT SEXP R_swig_vectorpOBInternalCoord___setitem__ ( SEXP self, SEXP i, SEXP x) {
6147   std::vector< OpenBabel::OBInternalCoord * > *arg1 = (std::vector< OpenBabel::OBInternalCoord * > *) 0 ;
6148   std::vector< OpenBabel::OBInternalCoord * >::difference_type arg2 ;
6149   std::vector< OpenBabel::OBInternalCoord * >::value_type arg3 = (std::vector< OpenBabel::OBInternalCoord * >::value_type) 0 ;
6150   void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0;
6151   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6152   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBInternalCoord_p_std__allocatorT_OpenBabel__OBInternalCoord_p_t_t, 0 |  0 );
6153   if (!SWIG_IsOK(res1)) {
6154     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorpOBInternalCoord___setitem__" "', argument " "1"" of type '" "std::vector< OpenBabel::OBInternalCoord * > *""'");  }
6155    arg1 = reinterpret_cast< std::vector< OpenBabel::OBInternalCoord * > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
6156   if (!SWIG_IsOK(ecode2)) {
6157     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vectorpOBInternalCoord___setitem__" "', argument " "2"" of type '" "std::vector< OpenBabel::OBInternalCoord * >::difference_type""'"); }
6158     arg2 = static_cast< std::vector< OpenBabel::OBInternalCoord * >::difference_type >(val2);
6159   res3 = SWIG_R_ConvertPtr(x, &argp3, SWIGTYPE_p_OpenBabel__OBInternalCoord, 0 |  0 ); if (!SWIG_IsOK(res3)) {
6160     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "vectorpOBInternalCoord___setitem__" "', argument " "3"" of type '" "std::vector< OpenBabel::OBInternalCoord * >::value_type""'");  }
6161    arg3 = reinterpret_cast< std::vector< OpenBabel::OBInternalCoord * >::value_type >(argp3); try {
6162     std_vector_Sl_OpenBabel_OBInternalCoord_Sm__Sg____setitem__(arg1,arg2,arg3);}  catch(std::out_of_range &_e) {
6163     return R_NilValue; ; }  r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorpOBInternalCoord__SWIG_0()6164 SWIGEXPORT SEXP R_swig_new_vectorpOBInternalCoord__SWIG_0 ( ) { std::vector< OpenBabel::OBInternalCoord * > *result = 0 ;
6165   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6166   result = (std::vector< OpenBabel::OBInternalCoord * > *)new std::vector< OpenBabel::OBInternalCoord * >();
6167   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBInternalCoord_p_std__allocatorT_OpenBabel__OBInternalCoord_p_t_t, R_SWIG_OWNER |  0 );
6168   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorpOBInternalCoord__SWIG_1(SEXP s_arg1)6169 SWIGEXPORT SEXP R_swig_new_vectorpOBInternalCoord__SWIG_1 ( SEXP s_arg1) {
6170   std::vector< OpenBabel::OBInternalCoord * > *result = 0 ; std::vector< OpenBabel::OBInternalCoord * > *arg1 = 0 ;
6171   int res1 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; {
6172     std::vector<OpenBabel::OBInternalCoord*,std::allocator< OpenBabel::OBInternalCoord * > > *ptr = (std::vector<OpenBabel::OBInternalCoord*,std::allocator< OpenBabel::OBInternalCoord * > > *)0;
6173     res1 = swig::asptr(s_arg1, &ptr); if (!SWIG_IsOK(res1)) {
6174       SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_vectorpOBInternalCoord" "', argument " "1"" of type '" "std::vector< OpenBabel::OBInternalCoord * > const &""'"); }
6175      if (!ptr) {
6176       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_vectorpOBInternalCoord" "', argument " "1"" of type '" "std::vector< OpenBabel::OBInternalCoord * > const &""'"); }
6177      arg1 = ptr; }
6178   result = (std::vector< OpenBabel::OBInternalCoord * > *)new std::vector< OpenBabel::OBInternalCoord * >((std::vector< OpenBabel::OBInternalCoord * > const &)*arg1);
6179   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBInternalCoord_p_std__allocatorT_OpenBabel__OBInternalCoord_p_t_t, R_SWIG_OWNER |  0 );
6180   if (SWIG_IsNewObj(res1)) delete arg1; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorpOBInternalCoord_size(SEXP self,SEXP s_swig_copy)6181 SWIGEXPORT SEXP R_swig_vectorpOBInternalCoord_size ( SEXP self, SEXP s_swig_copy) {
6182   std::vector< OpenBabel::OBInternalCoord * >::size_type result;
6183   std::vector< OpenBabel::OBInternalCoord * > *arg1 = (std::vector< OpenBabel::OBInternalCoord * > *) 0 ; void *argp1 = 0 ;
6184   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6185   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBInternalCoord_p_std__allocatorT_OpenBabel__OBInternalCoord_p_t_t, 0 |  0 );
6186   if (!SWIG_IsOK(res1)) {
6187     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorpOBInternalCoord_size" "', argument " "1"" of type '" "std::vector< OpenBabel::OBInternalCoord * > const *""'");  }
6188    arg1 = reinterpret_cast< std::vector< OpenBabel::OBInternalCoord * > * >(argp1);
6189   result = ((std::vector< OpenBabel::OBInternalCoord * > const *)arg1)->size();
6190   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorpOBInternalCoord__SWIG_2(SEXP size)6191 SWIGEXPORT SEXP R_swig_new_vectorpOBInternalCoord__SWIG_2 ( SEXP size) {
6192   std::vector< OpenBabel::OBInternalCoord * > *result = 0 ; std::vector< OpenBabel::OBInternalCoord * >::size_type arg1 ;
6193   int val1 ; int ecode1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6194   ecode1 = SWIG_AsVal_int(size, &val1); if (!SWIG_IsOK(ecode1)) {
6195     SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "new_vectorpOBInternalCoord" "', argument " "1"" of type '" "std::vector< OpenBabel::OBInternalCoord * >::size_type""'"); }
6196     arg1 = static_cast< std::vector< OpenBabel::OBInternalCoord * >::size_type >(val1);
6197   result = (std::vector< OpenBabel::OBInternalCoord * > *)new std::vector< OpenBabel::OBInternalCoord * >(arg1);
6198   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBInternalCoord_p_std__allocatorT_OpenBabel__OBInternalCoord_p_t_t, R_SWIG_OWNER |  0 );
6199   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vectorpOBInternalCoord__SWIG_3(SEXP size,SEXP value)6200 SWIGEXPORT SEXP R_swig_new_vectorpOBInternalCoord__SWIG_3 ( SEXP size, SEXP value) {
6201   std::vector< OpenBabel::OBInternalCoord * > *result = 0 ; std::vector< OpenBabel::OBInternalCoord * >::size_type arg1 ;
6202   std::vector< OpenBabel::OBInternalCoord * >::value_type arg2 = (std::vector< OpenBabel::OBInternalCoord * >::value_type) 0 ;
6203   int val1 ; int ecode1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
6204   VMAXTYPE r_vmax = vmaxget() ; ecode1 = SWIG_AsVal_int(size, &val1); if (!SWIG_IsOK(ecode1)) {
6205     SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "new_vectorpOBInternalCoord" "', argument " "1"" of type '" "std::vector< OpenBabel::OBInternalCoord * >::size_type""'"); }
6206     arg1 = static_cast< std::vector< OpenBabel::OBInternalCoord * >::size_type >(val1);
6207   res2 = SWIG_R_ConvertPtr(value, &argp2, SWIGTYPE_p_OpenBabel__OBInternalCoord, 0 |  0 ); if (!SWIG_IsOK(res2)) {
6208     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_vectorpOBInternalCoord" "', argument " "2"" of type '" "std::vector< OpenBabel::OBInternalCoord * >::value_type""'");  }
6209    arg2 = reinterpret_cast< std::vector< OpenBabel::OBInternalCoord * >::value_type >(argp2);
6210   result = (std::vector< OpenBabel::OBInternalCoord * > *)new std::vector< OpenBabel::OBInternalCoord * >(arg1,arg2);
6211   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBInternalCoord_p_std__allocatorT_OpenBabel__OBInternalCoord_p_t_t, R_SWIG_OWNER |  0 );
6212   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_vectorpOBInternalCoord(SEXP self)6213 SWIGEXPORT SEXP R_swig_delete_vectorpOBInternalCoord ( SEXP self) {
6214   std::vector< OpenBabel::OBInternalCoord * > *arg1 = (std::vector< OpenBabel::OBInternalCoord * > *) 0 ; void *argp1 = 0 ;
6215   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6216   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBInternalCoord_p_std__allocatorT_OpenBabel__OBInternalCoord_p_t_t, SWIG_POINTER_DISOWN |  0 );
6217   if (!SWIG_IsOK(res1)) {
6218     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_vectorpOBInternalCoord" "', argument " "1"" of type '" "std::vector< OpenBabel::OBInternalCoord * > *""'");  }
6219    arg1 = reinterpret_cast< std::vector< OpenBabel::OBInternalCoord * > * >(argp1); delete arg1; r_ans = R_NilValue;
6220   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_new_pairUIntUInt__SWIG_0()6221 SWIGEXPORT SEXP R_swig_new_pairUIntUInt__SWIG_0 ( ) { std::pair< unsigned int,unsigned int > *result = 0 ;
6222   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6223   result = (std::pair< unsigned int,unsigned int > *)new std::pair< unsigned int,unsigned int >();
6224   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__pairT_unsigned_int_unsigned_int_t, R_SWIG_OWNER |  0 );
6225   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_pairUIntUInt__SWIG_1(SEXP first,SEXP second)6226 SWIGEXPORT SEXP R_swig_new_pairUIntUInt__SWIG_1 ( SEXP first, SEXP second) {
6227   std::pair< unsigned int,unsigned int > *result = 0 ; unsigned int arg1 ; unsigned int arg2 ; int val1 ; int ecode1 = 0 ;
6228   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6229   ecode1 = SWIG_AsVal_int(first, &val1); if (!SWIG_IsOK(ecode1)) {
6230     SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "new_pairUIntUInt" "', argument " "1"" of type '" "unsigned int""'"); }
6231     arg1 = static_cast< unsigned int >(val1); ecode2 = SWIG_AsVal_int(second, &val2); if (!SWIG_IsOK(ecode2)) {
6232     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "new_pairUIntUInt" "', argument " "2"" of type '" "unsigned int""'"); }
6233     arg2 = static_cast< unsigned int >(val2);
6234   result = (std::pair< unsigned int,unsigned int > *)new std::pair< unsigned int,unsigned int >(arg1,arg2);
6235   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__pairT_unsigned_int_unsigned_int_t, R_SWIG_OWNER |  0 );
6236   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_pairUIntUInt__SWIG_2(SEXP p)6237 SWIGEXPORT SEXP R_swig_new_pairUIntUInt__SWIG_2 ( SEXP p) { std::pair< unsigned int,unsigned int > *result = 0 ;
6238   std::pair< unsigned int,unsigned int > *arg1 = 0 ; int res1 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0;
6239   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; {
6240     std::pair<unsigned int,unsigned int > *ptr = (std::pair<unsigned int,unsigned int > *)0; res1 = swig::asptr(p, &ptr);
6241     if (!SWIG_IsOK(res1)) {
6242       SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_pairUIntUInt" "', argument " "1"" of type '" "std::pair< unsigned int,unsigned int > const &""'"); }
6243      if (!ptr) {
6244       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_pairUIntUInt" "', argument " "1"" of type '" "std::pair< unsigned int,unsigned int > const &""'"); }
6245      arg1 = ptr; }
6246   result = (std::pair< unsigned int,unsigned int > *)new std::pair< unsigned int,unsigned int >((std::pair< unsigned int,unsigned int > const &)*arg1);
6247   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__pairT_unsigned_int_unsigned_int_t, R_SWIG_OWNER |  0 );
6248   if (SWIG_IsNewObj(res1)) delete arg1; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_pairUIntUInt_first_set(SEXP self,SEXP s_first)6249 SWIGEXPORT SEXP R_swig_pairUIntUInt_first_set ( SEXP self, SEXP s_first) {
6250   std::pair< unsigned int,unsigned int > *arg1 = (std::pair< unsigned int,unsigned int > *) 0 ; unsigned int arg2 ;
6251   void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
6252   VMAXTYPE r_vmax = vmaxget() ;
6253   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__pairT_unsigned_int_unsigned_int_t, 0 |  0 ); if (!SWIG_IsOK(res1)) {
6254     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "pairUIntUInt_first_set" "', argument " "1"" of type '" "std::pair< unsigned int,unsigned int > *""'");  }
6255    arg1 = reinterpret_cast< std::pair< unsigned int,unsigned int > * >(argp1); ecode2 = SWIG_AsVal_int(s_first, &val2);
6256   if (!SWIG_IsOK(ecode2)) {
6257     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "pairUIntUInt_first_set" "', argument " "2"" of type '" "unsigned int""'"); }
6258     arg2 = static_cast< unsigned int >(val2); if (arg1) (arg1)->first = arg2; r_ans = R_NilValue; vmaxset(r_vmax);
6259   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_pairUIntUInt_first_get(SEXP self,SEXP s_swig_copy)6260 SWIGEXPORT SEXP R_swig_pairUIntUInt_first_get ( SEXP self, SEXP s_swig_copy) { unsigned int result;
6261   std::pair< unsigned int,unsigned int > *arg1 = (std::pair< unsigned int,unsigned int > *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
6262   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6263   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__pairT_unsigned_int_unsigned_int_t, 0 |  0 ); if (!SWIG_IsOK(res1)) {
6264     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "pairUIntUInt_first_get" "', argument " "1"" of type '" "std::pair< unsigned int,unsigned int > *""'");  }
6265    arg1 = reinterpret_cast< std::pair< unsigned int,unsigned int > * >(argp1); result = (unsigned int) ((arg1)->first);
6266   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_pairUIntUInt_second_set(SEXP self,SEXP s_second)6267 SWIGEXPORT SEXP R_swig_pairUIntUInt_second_set ( SEXP self, SEXP s_second) {
6268   std::pair< unsigned int,unsigned int > *arg1 = (std::pair< unsigned int,unsigned int > *) 0 ; unsigned int arg2 ;
6269   void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
6270   VMAXTYPE r_vmax = vmaxget() ;
6271   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__pairT_unsigned_int_unsigned_int_t, 0 |  0 ); if (!SWIG_IsOK(res1)) {
6272     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "pairUIntUInt_second_set" "', argument " "1"" of type '" "std::pair< unsigned int,unsigned int > *""'");  }
6273    arg1 = reinterpret_cast< std::pair< unsigned int,unsigned int > * >(argp1); ecode2 = SWIG_AsVal_int(s_second, &val2);
6274   if (!SWIG_IsOK(ecode2)) {
6275     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "pairUIntUInt_second_set" "', argument " "2"" of type '" "unsigned int""'"); }
6276     arg2 = static_cast< unsigned int >(val2); if (arg1) (arg1)->second = arg2; r_ans = R_NilValue; vmaxset(r_vmax);
6277   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_pairUIntUInt_second_get(SEXP self,SEXP s_swig_copy)6278 SWIGEXPORT SEXP R_swig_pairUIntUInt_second_get ( SEXP self, SEXP s_swig_copy) { unsigned int result;
6279   std::pair< unsigned int,unsigned int > *arg1 = (std::pair< unsigned int,unsigned int > *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
6280   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6281   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__pairT_unsigned_int_unsigned_int_t, 0 |  0 ); if (!SWIG_IsOK(res1)) {
6282     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "pairUIntUInt_second_get" "', argument " "1"" of type '" "std::pair< unsigned int,unsigned int > *""'");  }
6283    arg1 = reinterpret_cast< std::pair< unsigned int,unsigned int > * >(argp1); result = (unsigned int) ((arg1)->second);
6284   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_pairUIntUInt(SEXP self)6285 SWIGEXPORT SEXP R_swig_delete_pairUIntUInt ( SEXP self) {
6286   std::pair< unsigned int,unsigned int > *arg1 = (std::pair< unsigned int,unsigned int > *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
6287   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6288   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__pairT_unsigned_int_unsigned_int_t, SWIG_POINTER_DISOWN |  0 );
6289   if (!SWIG_IsOK(res1)) {
6290     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_pairUIntUInt" "', argument " "1"" of type '" "std::pair< unsigned int,unsigned int > *""'");  }
6291    arg1 = reinterpret_cast< std::pair< unsigned int,unsigned int > * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
6292   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_vpairUIntUInt___nonzero__(SEXP self,SEXP s_swig_copy)6293 SWIGEXPORT SEXP R_swig_vpairUIntUInt___nonzero__ ( SEXP self, SEXP s_swig_copy) { bool result;
6294   std::vector< std::pair< unsigned int,unsigned int > > *arg1 = (std::vector< std::pair< unsigned int,unsigned int > > *) 0 ;
6295   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6296   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t, 0 |  0 );
6297   if (!SWIG_IsOK(res1)) {
6298     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vpairUIntUInt___nonzero__" "', argument " "1"" of type '" "std::vector< std::pair< unsigned int,unsigned int > > const *""'");  }
6299    arg1 = reinterpret_cast< std::vector< std::pair< unsigned int,unsigned int > > * >(argp1);
6300   result = (bool)std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg____nonzero__((std::vector< std::pair< unsigned int,unsigned int > > const *)arg1);
6301   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vpairUIntUInt___len__(SEXP self,SEXP s_swig_copy)6302 SWIGEXPORT SEXP R_swig_vpairUIntUInt___len__ ( SEXP self, SEXP s_swig_copy) {
6303   std::vector< std::pair< unsigned int,unsigned int > >::size_type result;
6304   std::vector< std::pair< unsigned int,unsigned int > > *arg1 = (std::vector< std::pair< unsigned int,unsigned int > > *) 0 ;
6305   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6306   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t, 0 |  0 );
6307   if (!SWIG_IsOK(res1)) {
6308     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vpairUIntUInt___len__" "', argument " "1"" of type '" "std::vector< std::pair< unsigned int,unsigned int > > const *""'");  }
6309    arg1 = reinterpret_cast< std::vector< std::pair< unsigned int,unsigned int > > * >(argp1);
6310   result = std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg____len__((std::vector< std::pair< unsigned int,unsigned int > > const *)arg1);
6311   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vpairUIntUInt___getslice__(SEXP self,SEXP i,SEXP j)6312 SWIGEXPORT SEXP R_swig_vpairUIntUInt___getslice__ ( SEXP self, SEXP i, SEXP j) {
6313   std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > *result = 0 ;
6314   std::vector< std::pair< unsigned int,unsigned int > > *arg1 = (std::vector< std::pair< unsigned int,unsigned int > > *) 0 ;
6315   std::vector< std::pair< unsigned int,unsigned int > >::difference_type arg2 ;
6316   std::vector< std::pair< unsigned int,unsigned int > >::difference_type arg3 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ;
6317   int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
6318   VMAXTYPE r_vmax = vmaxget() ;
6319   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t, 0 |  0 );
6320   if (!SWIG_IsOK(res1)) {
6321     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vpairUIntUInt___getslice__" "', argument " "1"" of type '" "std::vector< std::pair< unsigned int,unsigned int > > *""'");  }
6322    arg1 = reinterpret_cast< std::vector< std::pair< unsigned int,unsigned int > > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
6323   if (!SWIG_IsOK(ecode2)) {
6324     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vpairUIntUInt___getslice__" "', argument " "2"" of type '" "std::vector< std::pair< unsigned int,unsigned int > >::difference_type""'"); }
6325     arg2 = static_cast< std::vector< std::pair< unsigned int,unsigned int > >::difference_type >(val2);
6326   ecode3 = SWIG_AsVal_int(j, &val3); if (!SWIG_IsOK(ecode3)) {
6327     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vpairUIntUInt___getslice__" "', argument " "3"" of type '" "std::vector< std::pair< unsigned int,unsigned int > >::difference_type""'"); }
6328     arg3 = static_cast< std::vector< std::pair< unsigned int,unsigned int > >::difference_type >(val3); try {
6329     result = (std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > *)std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg____getslice__(arg1,arg2,arg3);}
6330    catch(std::out_of_range &_e) {   return R_NilValue; ; }
6331   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t, R_SWIG_OWNER |  0 );
6332   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vpairUIntUInt___setslice__(SEXP self,SEXP i,SEXP j,SEXP v)6333 SWIGEXPORT SEXP R_swig_vpairUIntUInt___setslice__ ( SEXP self, SEXP i, SEXP j, SEXP v) {
6334   std::vector< std::pair< unsigned int,unsigned int > > *arg1 = (std::vector< std::pair< unsigned int,unsigned int > > *) 0 ;
6335   std::vector< std::pair< unsigned int,unsigned int > >::difference_type arg2 ;
6336   std::vector< std::pair< unsigned int,unsigned int > >::difference_type arg3 ;
6337   std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > *arg4 = 0 ;
6338   void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; int res4 = SWIG_OLDOBJ ;
6339   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6340   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t, 0 |  0 );
6341   if (!SWIG_IsOK(res1)) {
6342     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vpairUIntUInt___setslice__" "', argument " "1"" of type '" "std::vector< std::pair< unsigned int,unsigned int > > *""'");  }
6343    arg1 = reinterpret_cast< std::vector< std::pair< unsigned int,unsigned int > > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
6344   if (!SWIG_IsOK(ecode2)) {
6345     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vpairUIntUInt___setslice__" "', argument " "2"" of type '" "std::vector< std::pair< unsigned int,unsigned int > >::difference_type""'"); }
6346     arg2 = static_cast< std::vector< std::pair< unsigned int,unsigned int > >::difference_type >(val2);
6347   ecode3 = SWIG_AsVal_int(j, &val3); if (!SWIG_IsOK(ecode3)) {
6348     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vpairUIntUInt___setslice__" "', argument " "3"" of type '" "std::vector< std::pair< unsigned int,unsigned int > >::difference_type""'"); }
6349     arg3 = static_cast< std::vector< std::pair< unsigned int,unsigned int > >::difference_type >(val3); {
6350     std::vector<std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > *ptr = (std::vector<std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > *)0;
6351     res4 = swig::asptr(v, &ptr); if (!SWIG_IsOK(res4)) {
6352       SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "vpairUIntUInt___setslice__" "', argument " "4"" of type '" "std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > const &""'"); }
6353      if (!ptr) {
6354       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "vpairUIntUInt___setslice__" "', argument " "4"" of type '" "std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > const &""'"); }
6355      arg4 = ptr; }  try {
6356     std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg____setslice__(arg1,arg2,arg3,(std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > const &)*arg4);}
6357    catch(std::out_of_range &_e) {   return R_NilValue; ; }  catch(std::invalid_argument &_e) {   return R_NilValue; ; }
6358   r_ans = R_NilValue; if (SWIG_IsNewObj(res4)) delete arg4; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
6359   return r_ans; }
R_swig_vpairUIntUInt___delslice__(SEXP self,SEXP i,SEXP j)6360 SWIGEXPORT SEXP R_swig_vpairUIntUInt___delslice__ ( SEXP self, SEXP i, SEXP j) {
6361   std::vector< std::pair< unsigned int,unsigned int > > *arg1 = (std::vector< std::pair< unsigned int,unsigned int > > *) 0 ;
6362   std::vector< std::pair< unsigned int,unsigned int > >::difference_type arg2 ;
6363   std::vector< std::pair< unsigned int,unsigned int > >::difference_type arg3 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ;
6364   int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
6365   VMAXTYPE r_vmax = vmaxget() ;
6366   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t, 0 |  0 );
6367   if (!SWIG_IsOK(res1)) {
6368     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vpairUIntUInt___delslice__" "', argument " "1"" of type '" "std::vector< std::pair< unsigned int,unsigned int > > *""'");  }
6369    arg1 = reinterpret_cast< std::vector< std::pair< unsigned int,unsigned int > > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
6370   if (!SWIG_IsOK(ecode2)) {
6371     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vpairUIntUInt___delslice__" "', argument " "2"" of type '" "std::vector< std::pair< unsigned int,unsigned int > >::difference_type""'"); }
6372     arg2 = static_cast< std::vector< std::pair< unsigned int,unsigned int > >::difference_type >(val2);
6373   ecode3 = SWIG_AsVal_int(j, &val3); if (!SWIG_IsOK(ecode3)) {
6374     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vpairUIntUInt___delslice__" "', argument " "3"" of type '" "std::vector< std::pair< unsigned int,unsigned int > >::difference_type""'"); }
6375     arg3 = static_cast< std::vector< std::pair< unsigned int,unsigned int > >::difference_type >(val3); try {
6376     std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg____delslice__(arg1,arg2,arg3);}
6377   catch(std::out_of_range &_e) {   return R_NilValue; ; }  r_ans = R_NilValue; vmaxset(r_vmax);
6378   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vpairUIntUInt___delitem__(SEXP self,SEXP i)6379 SWIGEXPORT SEXP R_swig_vpairUIntUInt___delitem__ ( SEXP self, SEXP i) {
6380   std::vector< std::pair< unsigned int,unsigned int > > *arg1 = (std::vector< std::pair< unsigned int,unsigned int > > *) 0 ;
6381   std::vector< std::pair< unsigned int,unsigned int > >::difference_type arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ;
6382   int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6383   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t, 0 |  0 );
6384   if (!SWIG_IsOK(res1)) {
6385     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vpairUIntUInt___delitem__" "', argument " "1"" of type '" "std::vector< std::pair< unsigned int,unsigned int > > *""'");  }
6386    arg1 = reinterpret_cast< std::vector< std::pair< unsigned int,unsigned int > > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
6387   if (!SWIG_IsOK(ecode2)) {
6388     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vpairUIntUInt___delitem__" "', argument " "2"" of type '" "std::vector< std::pair< unsigned int,unsigned int > >::difference_type""'"); }
6389     arg2 = static_cast< std::vector< std::pair< unsigned int,unsigned int > >::difference_type >(val2); try {
6390     std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg____delitem__(arg1,arg2);}
6391   catch(std::out_of_range &_e) {   return R_NilValue; ; }  r_ans = R_NilValue; vmaxset(r_vmax);
6392   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vpairUIntUInt___getitem__(SEXP self,SEXP i,SEXP s_swig_copy)6393 SWIGEXPORT SEXP R_swig_vpairUIntUInt___getitem__ ( SEXP self, SEXP i, SEXP s_swig_copy) {
6394   std::vector< std::pair< unsigned int,unsigned int > >::value_type *result = 0 ;
6395   std::vector< std::pair< unsigned int,unsigned int > > *arg1 = (std::vector< std::pair< unsigned int,unsigned int > > *) 0 ;
6396   std::vector< std::pair< unsigned int,unsigned int > >::difference_type arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ;
6397   int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6398   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t, 0 |  0 );
6399   if (!SWIG_IsOK(res1)) {
6400     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vpairUIntUInt___getitem__" "', argument " "1"" of type '" "std::vector< std::pair< unsigned int,unsigned int > > const *""'");  }
6401    arg1 = reinterpret_cast< std::vector< std::pair< unsigned int,unsigned int > > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
6402   if (!SWIG_IsOK(ecode2)) {
6403     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vpairUIntUInt___getitem__" "', argument " "2"" of type '" "std::vector< std::pair< unsigned int,unsigned int > >::difference_type""'"); }
6404     arg2 = static_cast< std::vector< std::pair< unsigned int,unsigned int > >::difference_type >(val2); try {
6405     result = (std::vector< std::pair< unsigned int,unsigned int > >::value_type *) &std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg____getitem__((std::vector< std::pair< unsigned int,unsigned int > > const *)arg1,arg2);}
6406    catch(std::out_of_range &_e) {   return R_NilValue; ; }
6407   r_ans = swig::from(static_cast< std::pair<unsigned int,unsigned int > >(*result)); vmaxset(r_vmax);
6408   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vpairUIntUInt___setitem__(SEXP self,SEXP i,SEXP x)6409 SWIGEXPORT SEXP R_swig_vpairUIntUInt___setitem__ ( SEXP self, SEXP i, SEXP x) {
6410   std::vector< std::pair< unsigned int,unsigned int > > *arg1 = (std::vector< std::pair< unsigned int,unsigned int > > *) 0 ;
6411   std::vector< std::pair< unsigned int,unsigned int > >::difference_type arg2 ;
6412   std::vector< std::pair< unsigned int,unsigned int > >::value_type *arg3 = 0 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ;
6413   int ecode2 = 0 ; int res3 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6414   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t, 0 |  0 );
6415   if (!SWIG_IsOK(res1)) {
6416     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vpairUIntUInt___setitem__" "', argument " "1"" of type '" "std::vector< std::pair< unsigned int,unsigned int > > *""'");  }
6417    arg1 = reinterpret_cast< std::vector< std::pair< unsigned int,unsigned int > > * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2);
6418   if (!SWIG_IsOK(ecode2)) {
6419     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vpairUIntUInt___setitem__" "', argument " "2"" of type '" "std::vector< std::pair< unsigned int,unsigned int > >::difference_type""'"); }
6420     arg2 = static_cast< std::vector< std::pair< unsigned int,unsigned int > >::difference_type >(val2); {
6421     std::pair<unsigned int,unsigned int > *ptr = (std::pair<unsigned int,unsigned int > *)0; res3 = swig::asptr(x, &ptr);
6422     if (!SWIG_IsOK(res3)) {
6423       SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "vpairUIntUInt___setitem__" "', argument " "3"" of type '" "std::vector< std::pair< unsigned int,unsigned int > >::value_type const &""'"); }
6424      if (!ptr) {
6425       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "vpairUIntUInt___setitem__" "', argument " "3"" of type '" "std::vector< std::pair< unsigned int,unsigned int > >::value_type const &""'"); }
6426      arg3 = ptr; }  try {
6427     std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg____setitem__(arg1,arg2,(std::pair< unsigned int,unsigned int > const &)*arg3);}
6428    catch(std::out_of_range &_e) {   return R_NilValue; ; }  r_ans = R_NilValue; if (SWIG_IsNewObj(res3)) delete arg3;
6429   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vpairUIntUInt__SWIG_0()6430 SWIGEXPORT SEXP R_swig_new_vpairUIntUInt__SWIG_0 ( ) { std::vector< std::pair< unsigned int,unsigned int > > *result = 0 ;
6431   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6432   result = (std::vector< std::pair< unsigned int,unsigned int > > *)new std::vector< std::pair< unsigned int,unsigned int > >();
6433   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t, R_SWIG_OWNER |  0 );
6434   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vpairUIntUInt__SWIG_1(SEXP s_arg1)6435 SWIGEXPORT SEXP R_swig_new_vpairUIntUInt__SWIG_1 ( SEXP s_arg1) {
6436   std::vector< std::pair< unsigned int,unsigned int > > *result = 0 ;
6437   std::vector< std::pair< unsigned int,unsigned int > > *arg1 = 0 ; int res1 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0;
6438   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; {
6439     std::vector<std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > *ptr = (std::vector<std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > *)0;
6440     res1 = swig::asptr(s_arg1, &ptr); if (!SWIG_IsOK(res1)) {
6441       SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_vpairUIntUInt" "', argument " "1"" of type '" "std::vector< std::pair< unsigned int,unsigned int > > const &""'"); }
6442      if (!ptr) {
6443       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_vpairUIntUInt" "', argument " "1"" of type '" "std::vector< std::pair< unsigned int,unsigned int > > const &""'"); }
6444      arg1 = ptr; }
6445   result = (std::vector< std::pair< unsigned int,unsigned int > > *)new std::vector< std::pair< unsigned int,unsigned int > >((std::vector< std::pair< unsigned int,unsigned int > > const &)*arg1);
6446   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t, R_SWIG_OWNER |  0 );
6447   if (SWIG_IsNewObj(res1)) delete arg1; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vpairUIntUInt_size(SEXP self,SEXP s_swig_copy)6448 SWIGEXPORT SEXP R_swig_vpairUIntUInt_size ( SEXP self, SEXP s_swig_copy) {
6449   std::vector< std::pair< unsigned int,unsigned int > >::size_type result;
6450   std::vector< std::pair< unsigned int,unsigned int > > *arg1 = (std::vector< std::pair< unsigned int,unsigned int > > *) 0 ;
6451   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6452   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t, 0 |  0 );
6453   if (!SWIG_IsOK(res1)) {
6454     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vpairUIntUInt_size" "', argument " "1"" of type '" "std::vector< std::pair< unsigned int,unsigned int > > const *""'");  }
6455    arg1 = reinterpret_cast< std::vector< std::pair< unsigned int,unsigned int > > * >(argp1);
6456   result = ((std::vector< std::pair< unsigned int,unsigned int > > const *)arg1)->size();
6457   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vpairUIntUInt__SWIG_2(SEXP size)6458 SWIGEXPORT SEXP R_swig_new_vpairUIntUInt__SWIG_2 ( SEXP size) {
6459   std::vector< std::pair< unsigned int,unsigned int > > *result = 0 ;
6460   std::vector< std::pair< unsigned int,unsigned int > >::size_type arg1 ; int val1 ; int ecode1 = 0 ;
6461   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; ecode1 = SWIG_AsVal_int(size, &val1);
6462   if (!SWIG_IsOK(ecode1)) {
6463     SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "new_vpairUIntUInt" "', argument " "1"" of type '" "std::vector< std::pair< unsigned int,unsigned int > >::size_type""'"); }
6464     arg1 = static_cast< std::vector< std::pair< unsigned int,unsigned int > >::size_type >(val1);
6465   result = (std::vector< std::pair< unsigned int,unsigned int > > *)new std::vector< std::pair< unsigned int,unsigned int > >(arg1);
6466   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t, R_SWIG_OWNER |  0 );
6467   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vpairUIntUInt__SWIG_3(SEXP size,SEXP value)6468 SWIGEXPORT SEXP R_swig_new_vpairUIntUInt__SWIG_3 ( SEXP size, SEXP value) {
6469   std::vector< std::pair< unsigned int,unsigned int > > *result = 0 ;
6470   std::vector< std::pair< unsigned int,unsigned int > >::size_type arg1 ;
6471   std::vector< std::pair< unsigned int,unsigned int > >::value_type *arg2 = 0 ; int val1 ; int ecode1 = 0 ;
6472   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6473   ecode1 = SWIG_AsVal_int(size, &val1); if (!SWIG_IsOK(ecode1)) {
6474     SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "new_vpairUIntUInt" "', argument " "1"" of type '" "std::vector< std::pair< unsigned int,unsigned int > >::size_type""'"); }
6475     arg1 = static_cast< std::vector< std::pair< unsigned int,unsigned int > >::size_type >(val1); {
6476     std::pair<unsigned int,unsigned int > *ptr = (std::pair<unsigned int,unsigned int > *)0; res2 = swig::asptr(value, &ptr);
6477     if (!SWIG_IsOK(res2)) {
6478       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_vpairUIntUInt" "', argument " "2"" of type '" "std::vector< std::pair< unsigned int,unsigned int > >::value_type const &""'"); }
6479      if (!ptr) {
6480       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_vpairUIntUInt" "', argument " "2"" of type '" "std::vector< std::pair< unsigned int,unsigned int > >::value_type const &""'"); }
6481      arg2 = ptr; }
6482   result = (std::vector< std::pair< unsigned int,unsigned int > > *)new std::vector< std::pair< unsigned int,unsigned int > >(arg1,(std::vector< std::pair< unsigned int,unsigned int > >::value_type const &)*arg2);
6483   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t, R_SWIG_OWNER |  0 );
6484   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_vpairUIntUInt(SEXP self)6485 SWIGEXPORT SEXP R_swig_delete_vpairUIntUInt ( SEXP self) {
6486   std::vector< std::pair< unsigned int,unsigned int > > *arg1 = (std::vector< std::pair< unsigned int,unsigned int > > *) 0 ;
6487   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6488   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t, SWIG_POINTER_DISOWN |  0 );
6489   if (!SWIG_IsOK(res1)) {
6490     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_vpairUIntUInt" "', argument " "1"" of type '" "std::vector< std::pair< unsigned int,unsigned int > > *""'");  }
6491    arg1 = reinterpret_cast< std::vector< std::pair< unsigned int,unsigned int > > * >(argp1); delete arg1; r_ans = R_NilValue;
6492   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_vvpairUIntUInt___nonzero__(SEXP self,SEXP s_swig_copy)6493 SWIGEXPORT SEXP R_swig_vvpairUIntUInt___nonzero__ ( SEXP self, SEXP s_swig_copy) { bool result;
6494   std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *arg1 = (std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *) 0 ;
6495   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6496   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t, 0 |  0 );
6497   if (!SWIG_IsOK(res1)) {
6498     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vvpairUIntUInt___nonzero__" "', argument " "1"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > > const *""'");  }
6499    arg1 = reinterpret_cast< std::vector< std::vector< std::pair< unsigned int,unsigned int > > > * >(argp1);
6500   result = (bool)std_vector_Sl_std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg__Sg____nonzero__((std::vector< std::vector< std::pair< unsigned int,unsigned int > > > const *)arg1);
6501   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vvpairUIntUInt___len__(SEXP self,SEXP s_swig_copy)6502 SWIGEXPORT SEXP R_swig_vvpairUIntUInt___len__ ( SEXP self, SEXP s_swig_copy) {
6503   std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::size_type result;
6504   std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *arg1 = (std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *) 0 ;
6505   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6506   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t, 0 |  0 );
6507   if (!SWIG_IsOK(res1)) {
6508     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vvpairUIntUInt___len__" "', argument " "1"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > > const *""'");  }
6509    arg1 = reinterpret_cast< std::vector< std::vector< std::pair< unsigned int,unsigned int > > > * >(argp1);
6510   result = std_vector_Sl_std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg__Sg____len__((std::vector< std::vector< std::pair< unsigned int,unsigned int > > > const *)arg1);
6511   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vvpairUIntUInt_pop(SEXP self,SEXP s_swig_copy)6512 SWIGEXPORT SEXP R_swig_vvpairUIntUInt_pop ( SEXP self, SEXP s_swig_copy) {
6513   std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::value_type result;
6514   std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *arg1 = (std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *) 0 ;
6515   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6516   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t, 0 |  0 );
6517   if (!SWIG_IsOK(res1)) {
6518     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vvpairUIntUInt_pop" "', argument " "1"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *""'");  }
6519    arg1 = reinterpret_cast< std::vector< std::vector< std::pair< unsigned int,unsigned int > > > * >(argp1); try {
6520     result = std_vector_Sl_std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg__Sg__pop(arg1);}
6521   catch(std::out_of_range &_e) {   return R_NilValue; ; }
6522   r_ans = swig::from(static_cast< std::vector<std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > >(result));
6523   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vvpairUIntUInt___getslice__(SEXP self,SEXP i,SEXP j)6524 SWIGEXPORT SEXP R_swig_vvpairUIntUInt___getslice__ ( SEXP self, SEXP i, SEXP j) {
6525   std::vector< std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > >,std::allocator< std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > > > *result = 0 ;
6526   std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *arg1 = (std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *) 0 ;
6527   std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::difference_type arg2 ;
6528   std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::difference_type arg3 ; void *argp1 = 0 ; int res1 = 0 ;
6529   int val2 ; int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
6530   VMAXTYPE r_vmax = vmaxget() ;
6531   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t, 0 |  0 );
6532   if (!SWIG_IsOK(res1)) {
6533     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vvpairUIntUInt___getslice__" "', argument " "1"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *""'");  }
6534    arg1 = reinterpret_cast< std::vector< std::vector< std::pair< unsigned int,unsigned int > > > * >(argp1);
6535   ecode2 = SWIG_AsVal_int(i, &val2); if (!SWIG_IsOK(ecode2)) {
6536     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vvpairUIntUInt___getslice__" "', argument " "2"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::difference_type""'"); }
6537     arg2 = static_cast< std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::difference_type >(val2);
6538   ecode3 = SWIG_AsVal_int(j, &val3); if (!SWIG_IsOK(ecode3)) {
6539     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vvpairUIntUInt___getslice__" "', argument " "3"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::difference_type""'"); }
6540     arg3 = static_cast< std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::difference_type >(val3); try {
6541     result = (std::vector< std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > >,std::allocator< std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > > > *)std_vector_Sl_std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg__Sg____getslice__(arg1,arg2,arg3);}
6542    catch(std::out_of_range &_e) {   return R_NilValue; ; }
6543   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t, R_SWIG_OWNER |  0 );
6544   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vvpairUIntUInt___setslice__(SEXP self,SEXP i,SEXP j,SEXP v)6545 SWIGEXPORT SEXP R_swig_vvpairUIntUInt___setslice__ ( SEXP self, SEXP i, SEXP j, SEXP v) {
6546   std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *arg1 = (std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *) 0 ;
6547   std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::difference_type arg2 ;
6548   std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::difference_type arg3 ;
6549   std::vector< std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > >,std::allocator< std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > > > *arg4 = 0 ;
6550   void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; int res4 = SWIG_OLDOBJ ;
6551   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6552   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t, 0 |  0 );
6553   if (!SWIG_IsOK(res1)) {
6554     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vvpairUIntUInt___setslice__" "', argument " "1"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *""'");  }
6555    arg1 = reinterpret_cast< std::vector< std::vector< std::pair< unsigned int,unsigned int > > > * >(argp1);
6556   ecode2 = SWIG_AsVal_int(i, &val2); if (!SWIG_IsOK(ecode2)) {
6557     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vvpairUIntUInt___setslice__" "', argument " "2"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::difference_type""'"); }
6558     arg2 = static_cast< std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::difference_type >(val2);
6559   ecode3 = SWIG_AsVal_int(j, &val3); if (!SWIG_IsOK(ecode3)) {
6560     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vvpairUIntUInt___setslice__" "', argument " "3"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::difference_type""'"); }
6561     arg3 = static_cast< std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::difference_type >(val3); {
6562     std::vector<std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > >,std::allocator< std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > > > *ptr = (std::vector<std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > >,std::allocator< std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > > > *)0;
6563     res4 = swig::asptr(v, &ptr); if (!SWIG_IsOK(res4)) {
6564       SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "vvpairUIntUInt___setslice__" "', argument " "4"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > >,std::allocator< std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > > > const &""'"); }
6565      if (!ptr) {
6566       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "vvpairUIntUInt___setslice__" "', argument " "4"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > >,std::allocator< std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > > > const &""'"); }
6567      arg4 = ptr; }  try {
6568     std_vector_Sl_std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg__Sg____setslice__(arg1,arg2,arg3,(std::vector< std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > >,std::allocator< std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > > > const &)*arg4);}
6569    catch(std::out_of_range &_e) {   return R_NilValue; ; }  catch(std::invalid_argument &_e) {   return R_NilValue; ; }
6570   r_ans = R_NilValue; if (SWIG_IsNewObj(res4)) delete arg4; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
6571   return r_ans; }
R_swig_vvpairUIntUInt___delslice__(SEXP self,SEXP i,SEXP j)6572 SWIGEXPORT SEXP R_swig_vvpairUIntUInt___delslice__ ( SEXP self, SEXP i, SEXP j) {
6573   std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *arg1 = (std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *) 0 ;
6574   std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::difference_type arg2 ;
6575   std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::difference_type arg3 ; void *argp1 = 0 ; int res1 = 0 ;
6576   int val2 ; int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
6577   VMAXTYPE r_vmax = vmaxget() ;
6578   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t, 0 |  0 );
6579   if (!SWIG_IsOK(res1)) {
6580     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vvpairUIntUInt___delslice__" "', argument " "1"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *""'");  }
6581    arg1 = reinterpret_cast< std::vector< std::vector< std::pair< unsigned int,unsigned int > > > * >(argp1);
6582   ecode2 = SWIG_AsVal_int(i, &val2); if (!SWIG_IsOK(ecode2)) {
6583     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vvpairUIntUInt___delslice__" "', argument " "2"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::difference_type""'"); }
6584     arg2 = static_cast< std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::difference_type >(val2);
6585   ecode3 = SWIG_AsVal_int(j, &val3); if (!SWIG_IsOK(ecode3)) {
6586     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vvpairUIntUInt___delslice__" "', argument " "3"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::difference_type""'"); }
6587     arg3 = static_cast< std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::difference_type >(val3); try {
6588     std_vector_Sl_std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg__Sg____delslice__(arg1,arg2,arg3);}
6589   catch(std::out_of_range &_e) {   return R_NilValue; ; }  r_ans = R_NilValue; vmaxset(r_vmax);
6590   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vvpairUIntUInt___delitem__(SEXP self,SEXP i)6591 SWIGEXPORT SEXP R_swig_vvpairUIntUInt___delitem__ ( SEXP self, SEXP i) {
6592   std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *arg1 = (std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *) 0 ;
6593   std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::difference_type arg2 ; void *argp1 = 0 ; int res1 = 0 ;
6594   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6595   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t, 0 |  0 );
6596   if (!SWIG_IsOK(res1)) {
6597     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vvpairUIntUInt___delitem__" "', argument " "1"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *""'");  }
6598    arg1 = reinterpret_cast< std::vector< std::vector< std::pair< unsigned int,unsigned int > > > * >(argp1);
6599   ecode2 = SWIG_AsVal_int(i, &val2); if (!SWIG_IsOK(ecode2)) {
6600     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vvpairUIntUInt___delitem__" "', argument " "2"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::difference_type""'"); }
6601     arg2 = static_cast< std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::difference_type >(val2); try {
6602     std_vector_Sl_std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg__Sg____delitem__(arg1,arg2);}
6603   catch(std::out_of_range &_e) {   return R_NilValue; ; }  r_ans = R_NilValue; vmaxset(r_vmax);
6604   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vvpairUIntUInt___getitem__(SEXP self,SEXP i,SEXP s_swig_copy)6605 SWIGEXPORT SEXP R_swig_vvpairUIntUInt___getitem__ ( SEXP self, SEXP i, SEXP s_swig_copy) {
6606   std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::value_type *result = 0 ;
6607   std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *arg1 = (std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *) 0 ;
6608   std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::difference_type arg2 ; void *argp1 = 0 ; int res1 = 0 ;
6609   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6610   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t, 0 |  0 );
6611   if (!SWIG_IsOK(res1)) {
6612     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vvpairUIntUInt___getitem__" "', argument " "1"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > > const *""'");  }
6613    arg1 = reinterpret_cast< std::vector< std::vector< std::pair< unsigned int,unsigned int > > > * >(argp1);
6614   ecode2 = SWIG_AsVal_int(i, &val2); if (!SWIG_IsOK(ecode2)) {
6615     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vvpairUIntUInt___getitem__" "', argument " "2"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::difference_type""'"); }
6616     arg2 = static_cast< std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::difference_type >(val2); try {
6617     result = (std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::value_type *) &std_vector_Sl_std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg__Sg____getitem__((std::vector< std::vector< std::pair< unsigned int,unsigned int > > > const *)arg1,arg2);}
6618    catch(std::out_of_range &_e) {   return R_NilValue; ; }
6619   r_ans = swig::from(static_cast< std::vector<std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > >(*result));
6620   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vvpairUIntUInt___setitem__(SEXP self,SEXP i,SEXP x)6621 SWIGEXPORT SEXP R_swig_vvpairUIntUInt___setitem__ ( SEXP self, SEXP i, SEXP x) {
6622   std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *arg1 = (std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *) 0 ;
6623   std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::difference_type arg2 ;
6624   std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::value_type *arg3 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
6625   int val2 ; int ecode2 = 0 ; int res3 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
6626   VMAXTYPE r_vmax = vmaxget() ;
6627   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t, 0 |  0 );
6628   if (!SWIG_IsOK(res1)) {
6629     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vvpairUIntUInt___setitem__" "', argument " "1"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *""'");  }
6630    arg1 = reinterpret_cast< std::vector< std::vector< std::pair< unsigned int,unsigned int > > > * >(argp1);
6631   ecode2 = SWIG_AsVal_int(i, &val2); if (!SWIG_IsOK(ecode2)) {
6632     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vvpairUIntUInt___setitem__" "', argument " "2"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::difference_type""'"); }
6633     arg2 = static_cast< std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::difference_type >(val2); {
6634     std::vector<std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > *ptr = (std::vector<std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > *)0;
6635     res3 = swig::asptr(x, &ptr); if (!SWIG_IsOK(res3)) {
6636       SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "vvpairUIntUInt___setitem__" "', argument " "3"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::value_type const &""'"); }
6637      if (!ptr) {
6638       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "vvpairUIntUInt___setitem__" "', argument " "3"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::value_type const &""'"); }
6639      arg3 = ptr; }  try {
6640     std_vector_Sl_std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg__Sg____setitem__(arg1,arg2,(std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > const &)*arg3);}
6641    catch(std::out_of_range &_e) {   return R_NilValue; ; }  r_ans = R_NilValue; if (SWIG_IsNewObj(res3)) delete arg3;
6642   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vvpairUIntUInt_append(SEXP self,SEXP x)6643 SWIGEXPORT SEXP R_swig_vvpairUIntUInt_append ( SEXP self, SEXP x) {
6644   std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *arg1 = (std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *) 0 ;
6645   std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::value_type *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
6646   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6647   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t, 0 |  0 );
6648   if (!SWIG_IsOK(res1)) {
6649     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vvpairUIntUInt_append" "', argument " "1"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *""'");  }
6650    arg1 = reinterpret_cast< std::vector< std::vector< std::pair< unsigned int,unsigned int > > > * >(argp1); {
6651     std::vector<std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > *ptr = (std::vector<std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > *)0;
6652     res2 = swig::asptr(x, &ptr); if (!SWIG_IsOK(res2)) {
6653       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "vvpairUIntUInt_append" "', argument " "2"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::value_type const &""'"); }
6654      if (!ptr) {
6655       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "vvpairUIntUInt_append" "', argument " "2"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::value_type const &""'"); }
6656      arg2 = ptr; }
6657   std_vector_Sl_std_vector_Sl_std_pair_Sl_unsigned_SS_int_Sc_unsigned_SS_int_Sg__Sg__Sg__append(arg1,(std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > const &)*arg2);
6658   r_ans = R_NilValue; if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
6659   return r_ans; }
R_swig_new_vvpairUIntUInt__SWIG_0()6660 SWIGEXPORT SEXP R_swig_new_vvpairUIntUInt__SWIG_0 ( ) {
6661   std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *result = 0 ; unsigned int r_nprotect = 0;
6662   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6663   result = (std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *)new std::vector< std::vector< std::pair< unsigned int,unsigned int > > >();
6664   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t, R_SWIG_OWNER |  0 );
6665   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vvpairUIntUInt__SWIG_1(SEXP s_arg1)6666 SWIGEXPORT SEXP R_swig_new_vvpairUIntUInt__SWIG_1 ( SEXP s_arg1) {
6667   std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *result = 0 ;
6668   std::vector< std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > > *arg1 = 0 ;
6669   int res1 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; {
6670     std::vector<std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > >,std::allocator< std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > > > *ptr = (std::vector<std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > >,std::allocator< std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > > > *)0;
6671     res1 = swig::asptr(s_arg1, &ptr); if (!SWIG_IsOK(res1)) {
6672       SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_vvpairUIntUInt" "', argument " "1"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > > const &""'"); }
6673      if (!ptr) {
6674       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_vvpairUIntUInt" "', argument " "1"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > > const &""'"); }
6675      arg1 = ptr; }
6676   result = (std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *)new std::vector< std::vector< std::pair< unsigned int,unsigned int > > >((std::vector< std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > > const &)*arg1);
6677   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t, R_SWIG_OWNER |  0 );
6678   if (SWIG_IsNewObj(res1)) delete arg1; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vvpairUIntUInt_empty(SEXP self,SEXP s_swig_copy)6679 SWIGEXPORT SEXP R_swig_vvpairUIntUInt_empty ( SEXP self, SEXP s_swig_copy) { bool result;
6680   std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *arg1 = (std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *) 0 ;
6681   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6682   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t, 0 |  0 );
6683   if (!SWIG_IsOK(res1)) {
6684     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vvpairUIntUInt_empty" "', argument " "1"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > > const *""'");  }
6685    arg1 = reinterpret_cast< std::vector< std::vector< std::pair< unsigned int,unsigned int > > > * >(argp1);
6686   result = (bool)((std::vector< std::vector< std::pair< unsigned int,unsigned int > > > const *)arg1)->empty();
6687   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vvpairUIntUInt_size(SEXP self,SEXP s_swig_copy)6688 SWIGEXPORT SEXP R_swig_vvpairUIntUInt_size ( SEXP self, SEXP s_swig_copy) {
6689   std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::size_type result;
6690   std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *arg1 = (std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *) 0 ;
6691   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6692   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t, 0 |  0 );
6693   if (!SWIG_IsOK(res1)) {
6694     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vvpairUIntUInt_size" "', argument " "1"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > > const *""'");  }
6695    arg1 = reinterpret_cast< std::vector< std::vector< std::pair< unsigned int,unsigned int > > > * >(argp1);
6696   result = ((std::vector< std::vector< std::pair< unsigned int,unsigned int > > > const *)arg1)->size();
6697   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vvpairUIntUInt_clear(SEXP self)6698 SWIGEXPORT SEXP R_swig_vvpairUIntUInt_clear ( SEXP self) {
6699   std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *arg1 = (std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *) 0 ;
6700   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6701   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t, 0 |  0 );
6702   if (!SWIG_IsOK(res1)) {
6703     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vvpairUIntUInt_clear" "', argument " "1"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *""'");  }
6704    arg1 = reinterpret_cast< std::vector< std::vector< std::pair< unsigned int,unsigned int > > > * >(argp1); (arg1)->clear();
6705   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vvpairUIntUInt_swap(SEXP self,SEXP v)6706 SWIGEXPORT SEXP R_swig_vvpairUIntUInt_swap ( SEXP self, SEXP v) {
6707   std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *arg1 = (std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *) 0 ;
6708   std::vector< std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > > *arg2 = 0 ;
6709   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
6710   VMAXTYPE r_vmax = vmaxget() ;
6711   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t, 0 |  0 );
6712   if (!SWIG_IsOK(res1)) {
6713     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vvpairUIntUInt_swap" "', argument " "1"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *""'");  }
6714    arg1 = reinterpret_cast< std::vector< std::vector< std::pair< unsigned int,unsigned int > > > * >(argp1);
6715   res2 = SWIG_R_ConvertPtr(v, &argp2, SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t,  0 );
6716   if (!SWIG_IsOK(res2)) {
6717     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "vvpairUIntUInt_swap" "', argument " "2"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > > &""'");  }
6718    if (!argp2) {
6719     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "vvpairUIntUInt_swap" "', argument " "2"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > > &""'"); }
6720 
6721   arg2 = reinterpret_cast< std::vector< std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > > * >(argp2);
6722   (arg1)->swap(*arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vvpairUIntUInt_get_allocator(SEXP self,SEXP s_swig_copy)6723 SWIGEXPORT SEXP R_swig_vvpairUIntUInt_get_allocator ( SEXP self, SEXP s_swig_copy) {
6724   SwigValueWrapper< std::allocator< std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > > > result;
6725   std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *arg1 = (std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *) 0 ;
6726   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6727   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t, 0 |  0 );
6728   if (!SWIG_IsOK(res1)) {
6729     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vvpairUIntUInt_get_allocator" "', argument " "1"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > > const *""'");  }
6730    arg1 = reinterpret_cast< std::vector< std::vector< std::pair< unsigned int,unsigned int > > > * >(argp1);
6731   result = ((std::vector< std::vector< std::pair< unsigned int,unsigned int > > > const *)arg1)->get_allocator();
6732   r_ans = SWIG_R_NewPointerObj((new std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::allocator_type(static_cast< const std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::allocator_type& >(result))), SWIGTYPE_p_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t, SWIG_POINTER_OWN |  0 );
6733   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vvpairUIntUInt__SWIG_2(SEXP size)6734 SWIGEXPORT SEXP R_swig_new_vvpairUIntUInt__SWIG_2 ( SEXP size) {
6735   std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *result = 0 ;
6736   std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::size_type arg1 ; int val1 ; int ecode1 = 0 ;
6737   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; ecode1 = SWIG_AsVal_int(size, &val1);
6738   if (!SWIG_IsOK(ecode1)) {
6739     SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "new_vvpairUIntUInt" "', argument " "1"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::size_type""'"); }
6740     arg1 = static_cast< std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::size_type >(val1);
6741   result = (std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *)new std::vector< std::vector< std::pair< unsigned int,unsigned int > > >(arg1);
6742   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t, R_SWIG_OWNER |  0 );
6743   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vvpairUIntUInt_pop_back(SEXP self)6744 SWIGEXPORT SEXP R_swig_vvpairUIntUInt_pop_back ( SEXP self) {
6745   std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *arg1 = (std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *) 0 ;
6746   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6747   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t, 0 |  0 );
6748   if (!SWIG_IsOK(res1)) {
6749     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vvpairUIntUInt_pop_back" "', argument " "1"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *""'");  }
6750    arg1 = reinterpret_cast< std::vector< std::vector< std::pair< unsigned int,unsigned int > > > * >(argp1); (arg1)->pop_back();
6751   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vvpairUIntUInt_resize__SWIG_0(SEXP self,SEXP new_size)6752 SWIGEXPORT SEXP R_swig_vvpairUIntUInt_resize__SWIG_0 ( SEXP self, SEXP new_size) {
6753   std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *arg1 = (std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *) 0 ;
6754   std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::size_type arg2 ; void *argp1 = 0 ; int res1 = 0 ;
6755   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6756   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t, 0 |  0 );
6757   if (!SWIG_IsOK(res1)) {
6758     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vvpairUIntUInt_resize" "', argument " "1"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *""'");  }
6759    arg1 = reinterpret_cast< std::vector< std::vector< std::pair< unsigned int,unsigned int > > > * >(argp1);
6760   ecode2 = SWIG_AsVal_int(new_size, &val2); if (!SWIG_IsOK(ecode2)) {
6761     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vvpairUIntUInt_resize" "', argument " "2"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::size_type""'"); }
6762     arg2 = static_cast< std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::size_type >(val2);
6763   (arg1)->resize(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vvpairUIntUInt__SWIG_3(SEXP size,SEXP value)6764 SWIGEXPORT SEXP R_swig_new_vvpairUIntUInt__SWIG_3 ( SEXP size, SEXP value) {
6765   std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *result = 0 ;
6766   std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::size_type arg1 ;
6767   std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::value_type *arg2 = 0 ; int val1 ; int ecode1 = 0 ;
6768   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6769   ecode1 = SWIG_AsVal_int(size, &val1); if (!SWIG_IsOK(ecode1)) {
6770     SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "new_vvpairUIntUInt" "', argument " "1"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::size_type""'"); }
6771     arg1 = static_cast< std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::size_type >(val1); {
6772     std::vector<std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > *ptr = (std::vector<std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > *)0;
6773     res2 = swig::asptr(value, &ptr); if (!SWIG_IsOK(res2)) {
6774       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_vvpairUIntUInt" "', argument " "2"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::value_type const &""'"); }
6775      if (!ptr) {
6776       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_vvpairUIntUInt" "', argument " "2"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::value_type const &""'"); }
6777      arg2 = ptr; }
6778   result = (std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *)new std::vector< std::vector< std::pair< unsigned int,unsigned int > > >(arg1,(std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::value_type const &)*arg2);
6779   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t, R_SWIG_OWNER |  0 );
6780   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vvpairUIntUInt_push_back(SEXP self,SEXP x)6781 SWIGEXPORT SEXP R_swig_vvpairUIntUInt_push_back ( SEXP self, SEXP x) {
6782   std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *arg1 = (std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *) 0 ;
6783   std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::value_type *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
6784   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6785   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t, 0 |  0 );
6786   if (!SWIG_IsOK(res1)) {
6787     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vvpairUIntUInt_push_back" "', argument " "1"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *""'");  }
6788    arg1 = reinterpret_cast< std::vector< std::vector< std::pair< unsigned int,unsigned int > > > * >(argp1); {
6789     std::vector<std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > *ptr = (std::vector<std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > *)0;
6790     res2 = swig::asptr(x, &ptr); if (!SWIG_IsOK(res2)) {
6791       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "vvpairUIntUInt_push_back" "', argument " "2"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::value_type const &""'"); }
6792      if (!ptr) {
6793       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "vvpairUIntUInt_push_back" "', argument " "2"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::value_type const &""'"); }
6794      arg2 = ptr; }
6795   (arg1)->push_back((std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::value_type const &)*arg2);
6796   r_ans = R_NilValue; if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
6797   return r_ans; }
R_swig_vvpairUIntUInt_front(SEXP self,SEXP s_swig_copy)6798 SWIGEXPORT SEXP R_swig_vvpairUIntUInt_front ( SEXP self, SEXP s_swig_copy) {
6799   std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::value_type *result = 0 ;
6800   std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *arg1 = (std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *) 0 ;
6801   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6802   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t, 0 |  0 );
6803   if (!SWIG_IsOK(res1)) {
6804     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vvpairUIntUInt_front" "', argument " "1"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > > const *""'");  }
6805    arg1 = reinterpret_cast< std::vector< std::vector< std::pair< unsigned int,unsigned int > > > * >(argp1);
6806   result = (std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::value_type *) &((std::vector< std::vector< std::pair< unsigned int,unsigned int > > > const *)arg1)->front();
6807   r_ans = swig::from(static_cast< std::vector<std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > >(*result));
6808   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vvpairUIntUInt_back(SEXP self,SEXP s_swig_copy)6809 SWIGEXPORT SEXP R_swig_vvpairUIntUInt_back ( SEXP self, SEXP s_swig_copy) {
6810   std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::value_type *result = 0 ;
6811   std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *arg1 = (std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *) 0 ;
6812   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6813   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t, 0 |  0 );
6814   if (!SWIG_IsOK(res1)) {
6815     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vvpairUIntUInt_back" "', argument " "1"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > > const *""'");  }
6816    arg1 = reinterpret_cast< std::vector< std::vector< std::pair< unsigned int,unsigned int > > > * >(argp1);
6817   result = (std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::value_type *) &((std::vector< std::vector< std::pair< unsigned int,unsigned int > > > const *)arg1)->back();
6818   r_ans = swig::from(static_cast< std::vector<std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > >(*result));
6819   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vvpairUIntUInt_assign(SEXP self,SEXP n,SEXP x)6820 SWIGEXPORT SEXP R_swig_vvpairUIntUInt_assign ( SEXP self, SEXP n, SEXP x) {
6821   std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *arg1 = (std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *) 0 ;
6822   std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::size_type arg2 ;
6823   std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::value_type *arg3 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
6824   int val2 ; int ecode2 = 0 ; int res3 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
6825   VMAXTYPE r_vmax = vmaxget() ;
6826   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t, 0 |  0 );
6827   if (!SWIG_IsOK(res1)) {
6828     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vvpairUIntUInt_assign" "', argument " "1"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *""'");  }
6829    arg1 = reinterpret_cast< std::vector< std::vector< std::pair< unsigned int,unsigned int > > > * >(argp1);
6830   ecode2 = SWIG_AsVal_int(n, &val2); if (!SWIG_IsOK(ecode2)) {
6831     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vvpairUIntUInt_assign" "', argument " "2"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::size_type""'"); }
6832     arg2 = static_cast< std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::size_type >(val2); {
6833     std::vector<std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > *ptr = (std::vector<std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > *)0;
6834     res3 = swig::asptr(x, &ptr); if (!SWIG_IsOK(res3)) {
6835       SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "vvpairUIntUInt_assign" "', argument " "3"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::value_type const &""'"); }
6836      if (!ptr) {
6837       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "vvpairUIntUInt_assign" "', argument " "3"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::value_type const &""'"); }
6838      arg3 = ptr; }
6839   (arg1)->assign(arg2,(std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::value_type const &)*arg3);
6840   r_ans = R_NilValue; if (SWIG_IsNewObj(res3)) delete arg3; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
6841   return r_ans; }
R_swig_vvpairUIntUInt_resize__SWIG_1(SEXP self,SEXP new_size,SEXP x)6842 SWIGEXPORT SEXP R_swig_vvpairUIntUInt_resize__SWIG_1 ( SEXP self, SEXP new_size, SEXP x) {
6843   std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *arg1 = (std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *) 0 ;
6844   std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::size_type arg2 ;
6845   std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::value_type *arg3 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
6846   int val2 ; int ecode2 = 0 ; int res3 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
6847   VMAXTYPE r_vmax = vmaxget() ;
6848   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t, 0 |  0 );
6849   if (!SWIG_IsOK(res1)) {
6850     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vvpairUIntUInt_resize" "', argument " "1"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *""'");  }
6851    arg1 = reinterpret_cast< std::vector< std::vector< std::pair< unsigned int,unsigned int > > > * >(argp1);
6852   ecode2 = SWIG_AsVal_int(new_size, &val2); if (!SWIG_IsOK(ecode2)) {
6853     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vvpairUIntUInt_resize" "', argument " "2"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::size_type""'"); }
6854     arg2 = static_cast< std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::size_type >(val2); {
6855     std::vector<std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > *ptr = (std::vector<std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > *)0;
6856     res3 = swig::asptr(x, &ptr); if (!SWIG_IsOK(res3)) {
6857       SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "vvpairUIntUInt_resize" "', argument " "3"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::value_type const &""'"); }
6858      if (!ptr) {
6859       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "vvpairUIntUInt_resize" "', argument " "3"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::value_type const &""'"); }
6860      arg3 = ptr; }
6861   (arg1)->resize(arg2,(std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::value_type const &)*arg3);
6862   r_ans = R_NilValue; if (SWIG_IsNewObj(res3)) delete arg3; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
6863   return r_ans; }
R_swig_vvpairUIntUInt_reserve(SEXP self,SEXP n)6864 SWIGEXPORT SEXP R_swig_vvpairUIntUInt_reserve ( SEXP self, SEXP n) {
6865   std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *arg1 = (std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *) 0 ;
6866   std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::size_type arg2 ; void *argp1 = 0 ; int res1 = 0 ;
6867   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6868   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t, 0 |  0 );
6869   if (!SWIG_IsOK(res1)) {
6870     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vvpairUIntUInt_reserve" "', argument " "1"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *""'");  }
6871    arg1 = reinterpret_cast< std::vector< std::vector< std::pair< unsigned int,unsigned int > > > * >(argp1);
6872   ecode2 = SWIG_AsVal_int(n, &val2); if (!SWIG_IsOK(ecode2)) {
6873     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "vvpairUIntUInt_reserve" "', argument " "2"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::size_type""'"); }
6874     arg2 = static_cast< std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::size_type >(val2);
6875   (arg1)->reserve(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vvpairUIntUInt_capacity(SEXP self,SEXP s_swig_copy)6876 SWIGEXPORT SEXP R_swig_vvpairUIntUInt_capacity ( SEXP self, SEXP s_swig_copy) {
6877   std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::size_type result;
6878   std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *arg1 = (std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *) 0 ;
6879   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6880   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t, 0 |  0 );
6881   if (!SWIG_IsOK(res1)) {
6882     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vvpairUIntUInt_capacity" "', argument " "1"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > > const *""'");  }
6883    arg1 = reinterpret_cast< std::vector< std::vector< std::pair< unsigned int,unsigned int > > > * >(argp1);
6884   result = ((std::vector< std::vector< std::pair< unsigned int,unsigned int > > > const *)arg1)->capacity();
6885   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_vvpairUIntUInt(SEXP self)6886 SWIGEXPORT SEXP R_swig_delete_vvpairUIntUInt ( SEXP self) {
6887   std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *arg1 = (std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *) 0 ;
6888   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6889   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t, SWIG_POINTER_DISOWN |  0 );
6890   if (!SWIG_IsOK(res1)) {
6891     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_vvpairUIntUInt" "', argument " "1"" of type '" "std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *""'");  }
6892    arg1 = reinterpret_cast< std::vector< std::vector< std::pair< unsigned int,unsigned int > > > * >(argp1); delete arg1;
6893   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_toAliasData(SEXP data)6894 SWIGEXPORT SEXP R_swig_toAliasData ( SEXP data) { OpenBabel::AliasData *result = 0 ;
6895   OpenBabel::OBGenericData *arg1 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
6896   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6897   res1 = SWIG_R_ConvertPtr(data, &argp1, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
6898     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "toAliasData" "', argument " "1"" of type '" "OpenBabel::OBGenericData *""'");  }
6899    arg1 = reinterpret_cast< OpenBabel::OBGenericData * >(argp1); result = (OpenBabel::AliasData *)toAliasData(arg1);
6900   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__AliasData, R_SWIG_EXTERNAL |  0 );
6901   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_toAngleData(SEXP data)6902 SWIGEXPORT SEXP R_swig_toAngleData ( SEXP data) { OpenBabel::OBAngleData *result = 0 ;
6903   OpenBabel::OBGenericData *arg1 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
6904   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6905   res1 = SWIG_R_ConvertPtr(data, &argp1, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
6906     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "toAngleData" "', argument " "1"" of type '" "OpenBabel::OBGenericData *""'");  }
6907    arg1 = reinterpret_cast< OpenBabel::OBGenericData * >(argp1); result = (OpenBabel::OBAngleData *)toAngleData(arg1);
6908   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAngleData, R_SWIG_EXTERNAL |  0 );
6909   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_toAtomClassData(SEXP data)6910 SWIGEXPORT SEXP R_swig_toAtomClassData ( SEXP data) { OpenBabel::OBAtomClassData *result = 0 ;
6911   OpenBabel::OBGenericData *arg1 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
6912   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6913   res1 = SWIG_R_ConvertPtr(data, &argp1, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
6914     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "toAtomClassData" "', argument " "1"" of type '" "OpenBabel::OBGenericData *""'");  }
6915    arg1 = reinterpret_cast< OpenBabel::OBGenericData * >(argp1); result = (OpenBabel::OBAtomClassData *)toAtomClassData(arg1);
6916   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtomClassData, R_SWIG_EXTERNAL |  0 );
6917   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_toChiralData(SEXP data)6918 SWIGEXPORT SEXP R_swig_toChiralData ( SEXP data) { OpenBabel::OBChiralData *result = 0 ;
6919   OpenBabel::OBGenericData *arg1 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
6920   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6921   res1 = SWIG_R_ConvertPtr(data, &argp1, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
6922     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "toChiralData" "', argument " "1"" of type '" "OpenBabel::OBGenericData *""'");  }
6923    arg1 = reinterpret_cast< OpenBabel::OBGenericData * >(argp1); result = (OpenBabel::OBChiralData *)toChiralData(arg1);
6924   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBChiralData, R_SWIG_EXTERNAL |  0 );
6925   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_toCommentData(SEXP data)6926 SWIGEXPORT SEXP R_swig_toCommentData ( SEXP data) { OpenBabel::OBCommentData *result = 0 ;
6927   OpenBabel::OBGenericData *arg1 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
6928   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6929   res1 = SWIG_R_ConvertPtr(data, &argp1, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
6930     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "toCommentData" "', argument " "1"" of type '" "OpenBabel::OBGenericData *""'");  }
6931    arg1 = reinterpret_cast< OpenBabel::OBGenericData * >(argp1); result = (OpenBabel::OBCommentData *)toCommentData(arg1);
6932   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBCommentData, R_SWIG_EXTERNAL |  0 );
6933   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_toConformerData(SEXP data)6934 SWIGEXPORT SEXP R_swig_toConformerData ( SEXP data) { OpenBabel::OBConformerData *result = 0 ;
6935   OpenBabel::OBGenericData *arg1 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
6936   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6937   res1 = SWIG_R_ConvertPtr(data, &argp1, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
6938     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "toConformerData" "', argument " "1"" of type '" "OpenBabel::OBGenericData *""'");  }
6939    arg1 = reinterpret_cast< OpenBabel::OBGenericData * >(argp1); result = (OpenBabel::OBConformerData *)toConformerData(arg1);
6940   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBConformerData, R_SWIG_EXTERNAL |  0 );
6941   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_toExternalBondData(SEXP data)6942 SWIGEXPORT SEXP R_swig_toExternalBondData ( SEXP data) { OpenBabel::OBExternalBondData *result = 0 ;
6943   OpenBabel::OBGenericData *arg1 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
6944   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6945   res1 = SWIG_R_ConvertPtr(data, &argp1, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
6946     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "toExternalBondData" "', argument " "1"" of type '" "OpenBabel::OBGenericData *""'");  }
6947    arg1 = reinterpret_cast< OpenBabel::OBGenericData * >(argp1);
6948   result = (OpenBabel::OBExternalBondData *)toExternalBondData(arg1);
6949   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBExternalBondData, R_SWIG_EXTERNAL |  0 );
6950   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_toGridData(SEXP data)6951 SWIGEXPORT SEXP R_swig_toGridData ( SEXP data) { OpenBabel::OBGridData *result = 0 ;
6952   OpenBabel::OBGenericData *arg1 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
6953   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6954   res1 = SWIG_R_ConvertPtr(data, &argp1, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
6955     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "toGridData" "', argument " "1"" of type '" "OpenBabel::OBGenericData *""'");  }
6956    arg1 = reinterpret_cast< OpenBabel::OBGenericData * >(argp1); result = (OpenBabel::OBGridData *)toGridData(arg1);
6957   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGridData, R_SWIG_EXTERNAL |  0 );
6958   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_toMatrixData(SEXP data)6959 SWIGEXPORT SEXP R_swig_toMatrixData ( SEXP data) { OpenBabel::OBMatrixData *result = 0 ;
6960   OpenBabel::OBGenericData *arg1 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
6961   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6962   res1 = SWIG_R_ConvertPtr(data, &argp1, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
6963     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "toMatrixData" "', argument " "1"" of type '" "OpenBabel::OBGenericData *""'");  }
6964    arg1 = reinterpret_cast< OpenBabel::OBGenericData * >(argp1); result = (OpenBabel::OBMatrixData *)toMatrixData(arg1);
6965   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMatrixData, R_SWIG_EXTERNAL |  0 );
6966   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_toNasaThermoData(SEXP data)6967 SWIGEXPORT SEXP R_swig_toNasaThermoData ( SEXP data) { OpenBabel::OBNasaThermoData *result = 0 ;
6968   OpenBabel::OBGenericData *arg1 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
6969   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6970   res1 = SWIG_R_ConvertPtr(data, &argp1, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
6971     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "toNasaThermoData" "', argument " "1"" of type '" "OpenBabel::OBGenericData *""'");  }
6972    arg1 = reinterpret_cast< OpenBabel::OBGenericData * >(argp1); result = (OpenBabel::OBNasaThermoData *)toNasaThermoData(arg1);
6973   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBNasaThermoData, R_SWIG_EXTERNAL |  0 );
6974   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_toPairData(SEXP data)6975 SWIGEXPORT SEXP R_swig_toPairData ( SEXP data) { OpenBabel::OBPairData *result = 0 ;
6976   OpenBabel::OBGenericData *arg1 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
6977   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6978   res1 = SWIG_R_ConvertPtr(data, &argp1, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
6979     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "toPairData" "', argument " "1"" of type '" "OpenBabel::OBGenericData *""'");  }
6980    arg1 = reinterpret_cast< OpenBabel::OBGenericData * >(argp1); result = (OpenBabel::OBPairData *)toPairData(arg1);
6981   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBPairData, R_SWIG_EXTERNAL |  0 );
6982   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_toRateData(SEXP data)6983 SWIGEXPORT SEXP R_swig_toRateData ( SEXP data) { OpenBabel::OBRateData *result = 0 ;
6984   OpenBabel::OBGenericData *arg1 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
6985   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6986   res1 = SWIG_R_ConvertPtr(data, &argp1, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
6987     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "toRateData" "', argument " "1"" of type '" "OpenBabel::OBGenericData *""'");  }
6988    arg1 = reinterpret_cast< OpenBabel::OBGenericData * >(argp1); result = (OpenBabel::OBRateData *)toRateData(arg1);
6989   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBRateData, R_SWIG_EXTERNAL |  0 );
6990   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_toRotamerList(SEXP data)6991 SWIGEXPORT SEXP R_swig_toRotamerList ( SEXP data) { OpenBabel::OBRotamerList *result = 0 ;
6992   OpenBabel::OBGenericData *arg1 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
6993   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
6994   res1 = SWIG_R_ConvertPtr(data, &argp1, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
6995     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "toRotamerList" "', argument " "1"" of type '" "OpenBabel::OBGenericData *""'");  }
6996    arg1 = reinterpret_cast< OpenBabel::OBGenericData * >(argp1); result = (OpenBabel::OBRotamerList *)toRotamerList(arg1);
6997   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBRotamerList, R_SWIG_EXTERNAL |  0 );
6998   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_toRotationData(SEXP data)6999 SWIGEXPORT SEXP R_swig_toRotationData ( SEXP data) { OpenBabel::OBRotationData *result = 0 ;
7000   OpenBabel::OBGenericData *arg1 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
7001   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7002   res1 = SWIG_R_ConvertPtr(data, &argp1, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7003     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "toRotationData" "', argument " "1"" of type '" "OpenBabel::OBGenericData *""'");  }
7004    arg1 = reinterpret_cast< OpenBabel::OBGenericData * >(argp1); result = (OpenBabel::OBRotationData *)toRotationData(arg1);
7005   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBRotationData, R_SWIG_EXTERNAL |  0 );
7006   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_toSerialNums(SEXP data)7007 SWIGEXPORT SEXP R_swig_toSerialNums ( SEXP data) { OpenBabel::OBSerialNums *result = 0 ;
7008   OpenBabel::OBGenericData *arg1 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
7009   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7010   res1 = SWIG_R_ConvertPtr(data, &argp1, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7011     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "toSerialNums" "', argument " "1"" of type '" "OpenBabel::OBGenericData *""'");  }
7012    arg1 = reinterpret_cast< OpenBabel::OBGenericData * >(argp1); result = (OpenBabel::OBSerialNums *)toSerialNums(arg1);
7013   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBSerialNums, R_SWIG_EXTERNAL |  0 );
7014   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_toSetData(SEXP data)7015 SWIGEXPORT SEXP R_swig_toSetData ( SEXP data) { OpenBabel::OBSetData *result = 0 ;
7016   OpenBabel::OBGenericData *arg1 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
7017   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7018   res1 = SWIG_R_ConvertPtr(data, &argp1, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7019     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "toSetData" "', argument " "1"" of type '" "OpenBabel::OBGenericData *""'");  }
7020    arg1 = reinterpret_cast< OpenBabel::OBGenericData * >(argp1); result = (OpenBabel::OBSetData *)toSetData(arg1);
7021   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBSetData, R_SWIG_EXTERNAL |  0 );
7022   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_toSymmetryData(SEXP data)7023 SWIGEXPORT SEXP R_swig_toSymmetryData ( SEXP data) { OpenBabel::OBSymmetryData *result = 0 ;
7024   OpenBabel::OBGenericData *arg1 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
7025   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7026   res1 = SWIG_R_ConvertPtr(data, &argp1, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7027     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "toSymmetryData" "', argument " "1"" of type '" "OpenBabel::OBGenericData *""'");  }
7028    arg1 = reinterpret_cast< OpenBabel::OBGenericData * >(argp1); result = (OpenBabel::OBSymmetryData *)toSymmetryData(arg1);
7029   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBSymmetryData, R_SWIG_EXTERNAL |  0 );
7030   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_toTorsionData(SEXP data)7031 SWIGEXPORT SEXP R_swig_toTorsionData ( SEXP data) { OpenBabel::OBTorsionData *result = 0 ;
7032   OpenBabel::OBGenericData *arg1 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
7033   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7034   res1 = SWIG_R_ConvertPtr(data, &argp1, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7035     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "toTorsionData" "', argument " "1"" of type '" "OpenBabel::OBGenericData *""'");  }
7036    arg1 = reinterpret_cast< OpenBabel::OBGenericData * >(argp1); result = (OpenBabel::OBTorsionData *)toTorsionData(arg1);
7037   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBTorsionData, R_SWIG_EXTERNAL |  0 );
7038   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_toUnitCell(SEXP data)7039 SWIGEXPORT SEXP R_swig_toUnitCell ( SEXP data) { OpenBabel::OBUnitCell *result = 0 ;
7040   OpenBabel::OBGenericData *arg1 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
7041   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7042   res1 = SWIG_R_ConvertPtr(data, &argp1, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7043     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "toUnitCell" "', argument " "1"" of type '" "OpenBabel::OBGenericData *""'");  }
7044    arg1 = reinterpret_cast< OpenBabel::OBGenericData * >(argp1); result = (OpenBabel::OBUnitCell *)toUnitCell(arg1);
7045   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBUnitCell, R_SWIG_EXTERNAL |  0 );
7046   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_toVectorData(SEXP data)7047 SWIGEXPORT SEXP R_swig_toVectorData ( SEXP data) { OpenBabel::OBVectorData *result = 0 ;
7048   OpenBabel::OBGenericData *arg1 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
7049   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7050   res1 = SWIG_R_ConvertPtr(data, &argp1, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7051     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "toVectorData" "', argument " "1"" of type '" "OpenBabel::OBGenericData *""'");  }
7052    arg1 = reinterpret_cast< OpenBabel::OBGenericData * >(argp1); result = (OpenBabel::OBVectorData *)toVectorData(arg1);
7053   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBVectorData, R_SWIG_EXTERNAL |  0 );
7054   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_toVibrationData(SEXP data)7055 SWIGEXPORT SEXP R_swig_toVibrationData ( SEXP data) { OpenBabel::OBVibrationData *result = 0 ;
7056   OpenBabel::OBGenericData *arg1 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
7057   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7058   res1 = SWIG_R_ConvertPtr(data, &argp1, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7059     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "toVibrationData" "', argument " "1"" of type '" "OpenBabel::OBGenericData *""'");  }
7060    arg1 = reinterpret_cast< OpenBabel::OBGenericData * >(argp1); result = (OpenBabel::OBVibrationData *)toVibrationData(arg1);
7061   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBVibrationData, R_SWIG_EXTERNAL |  0 );
7062   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_toVirtualBond(SEXP data)7063 SWIGEXPORT SEXP R_swig_toVirtualBond ( SEXP data) { OpenBabel::OBVirtualBond *result = 0 ;
7064   OpenBabel::OBGenericData *arg1 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
7065   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7066   res1 = SWIG_R_ConvertPtr(data, &argp1, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7067     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "toVirtualBond" "', argument " "1"" of type '" "OpenBabel::OBGenericData *""'");  }
7068    arg1 = reinterpret_cast< OpenBabel::OBGenericData * >(argp1); result = (OpenBabel::OBVirtualBond *)toVirtualBond(arg1);
7069   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBVirtualBond, R_SWIG_EXTERNAL |  0 );
7070   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBGlobalDataBase()7071 SWIGEXPORT SEXP R_swig_new_OBGlobalDataBase ( ) { OpenBabel::OBGlobalDataBase *result = 0 ; unsigned int r_nprotect = 0;
7072   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7073   result = (OpenBabel::OBGlobalDataBase *)new OpenBabel::OBGlobalDataBase();
7074   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGlobalDataBase, R_SWIG_OWNER |  0 );
7075   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBGlobalDataBase(SEXP self)7076 SWIGEXPORT SEXP R_swig_delete_OBGlobalDataBase ( SEXP self) {
7077   OpenBabel::OBGlobalDataBase *arg1 = (OpenBabel::OBGlobalDataBase *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
7078   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7079   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBGlobalDataBase, SWIG_POINTER_DISOWN |  0 );
7080   if (!SWIG_IsOK(res1)) {
7081     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBGlobalDataBase" "', argument " "1"" of type '" "OpenBabel::OBGlobalDataBase *""'");  }
7082    arg1 = reinterpret_cast< OpenBabel::OBGlobalDataBase * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
7083   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBGlobalDataBase_Init(SEXP self)7084 SWIGEXPORT SEXP R_swig_OBGlobalDataBase_Init ( SEXP self) {
7085   OpenBabel::OBGlobalDataBase *arg1 = (OpenBabel::OBGlobalDataBase *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
7086   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7087   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBGlobalDataBase, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7088     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGlobalDataBase_Init" "', argument " "1"" of type '" "OpenBabel::OBGlobalDataBase *""'");  }
7089    arg1 = reinterpret_cast< OpenBabel::OBGlobalDataBase * >(argp1); (arg1)->Init(); r_ans = R_NilValue; vmaxset(r_vmax);
7090   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBGlobalDataBase_GetSize(SEXP self,SEXP s_swig_copy)7091 SWIGEXPORT SEXP R_swig_OBGlobalDataBase_GetSize ( SEXP self, SEXP s_swig_copy) { size_t result;
7092   OpenBabel::OBGlobalDataBase *arg1 = (OpenBabel::OBGlobalDataBase *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
7093   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7094   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBGlobalDataBase, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7095     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGlobalDataBase_GetSize" "', argument " "1"" of type '" "OpenBabel::OBGlobalDataBase *""'");  }
7096    arg1 = reinterpret_cast< OpenBabel::OBGlobalDataBase * >(argp1); result = (arg1)->GetSize();
7097   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBGlobalDataBase_SetReadDirectory(SEXP self,SEXP dir)7098 SWIGEXPORT SEXP R_swig_OBGlobalDataBase_SetReadDirectory ( SEXP self, SEXP dir) {
7099   OpenBabel::OBGlobalDataBase *arg1 = (OpenBabel::OBGlobalDataBase *) 0 ; char *arg2 = (char *) 0 ; void *argp1 = 0 ;
7100   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7101   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBGlobalDataBase, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7102     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGlobalDataBase_SetReadDirectory" "', argument " "1"" of type '" "OpenBabel::OBGlobalDataBase *""'");  }
7103    arg1 = reinterpret_cast< OpenBabel::OBGlobalDataBase * >(argp1);
7104   arg2 = reinterpret_cast< char * >(SWIG_strdup(CHAR(STRING_ELT(dir, 0)))); (arg1)->SetReadDirectory(arg2); r_ans = R_NilValue;
7105   free(arg2); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBGlobalDataBase_SetEnvironmentVariable(SEXP self,SEXP var)7106 SWIGEXPORT SEXP R_swig_OBGlobalDataBase_SetEnvironmentVariable ( SEXP self, SEXP var) {
7107   OpenBabel::OBGlobalDataBase *arg1 = (OpenBabel::OBGlobalDataBase *) 0 ; char *arg2 = (char *) 0 ; void *argp1 = 0 ;
7108   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7109   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBGlobalDataBase, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7110     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGlobalDataBase_SetEnvironmentVariable" "', argument " "1"" of type '" "OpenBabel::OBGlobalDataBase *""'");  }
7111    arg1 = reinterpret_cast< OpenBabel::OBGlobalDataBase * >(argp1);
7112   arg2 = reinterpret_cast< char * >(SWIG_strdup(CHAR(STRING_ELT(var, 0)))); (arg1)->SetEnvironmentVariable(arg2);
7113   r_ans = R_NilValue; free(arg2); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBGlobalDataBase_ParseLine(SEXP self,SEXP s_arg2)7114 SWIGEXPORT SEXP R_swig_OBGlobalDataBase_ParseLine ( SEXP self, SEXP s_arg2) {
7115   OpenBabel::OBGlobalDataBase *arg1 = (OpenBabel::OBGlobalDataBase *) 0 ; char *arg2 = (char *) 0 ; void *argp1 = 0 ;
7116   int res1 = 0 ; int res2 ; char *buf2 = 0 ; int alloc2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
7117   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBGlobalDataBase, 0 |  0 );
7118   if (!SWIG_IsOK(res1)) {
7119     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGlobalDataBase_ParseLine" "', argument " "1"" of type '" "OpenBabel::OBGlobalDataBase *""'");  }
7120    arg1 = reinterpret_cast< OpenBabel::OBGlobalDataBase * >(argp1); res2 = SWIG_AsCharPtrAndSize(s_arg2, &buf2, NULL, &alloc2);
7121   if (!SWIG_IsOK(res2)) {
7122     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBGlobalDataBase_ParseLine" "', argument " "2"" of type '" "char const *""'"); }
7123    arg2 = reinterpret_cast< char * >(buf2); (arg1)->ParseLine((char const *)arg2); r_ans = R_NilValue;
7124   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBElement__SWIG_0()7125 SWIGEXPORT SEXP R_swig_new_OBElement__SWIG_0 ( ) { OpenBabel::OBElement *result = 0 ; unsigned int r_nprotect = 0;
7126   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBElement *)new OpenBabel::OBElement();
7127   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBElement, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
7128   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
7129 SWIGEXPORT SEXP
R_swig_new_OBElement__SWIG_1(SEXP num,SEXP sym,SEXP ARENeg,SEXP rcov,SEXP rvdw,SEXP maxbo,SEXP mass,SEXP elNeg,SEXP ionize,SEXP elAffin,SEXP red,SEXP green,SEXP blue,SEXP name)7130 R_swig_new_OBElement__SWIG_1 ( SEXP num, SEXP sym, SEXP ARENeg, SEXP rcov, SEXP rvdw, SEXP maxbo, SEXP mass, SEXP elNeg, SEXP ionize, SEXP elAffin, SEXP red, SEXP green, SEXP blue, SEXP name)
7131 { OpenBabel::OBElement *result = 0 ; int arg1 ; char *arg2 = (char *) 0 ; double arg3 ; double arg4 ; double arg5 ; int arg6 ;
7132   double arg7 ; double arg8 ; double arg9 ; double arg10 ; double arg11 ; double arg12 ; double arg13 ; std::string arg14 ;
7133   int res2 ; char *buf2 = 0 ; int alloc2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
7134   VMAXTYPE r_vmax = vmaxget() ; arg1 = static_cast< int >(INTEGER(num)[0]);
7135   res2 = SWIG_AsCharPtrAndSize(sym, &buf2, NULL, &alloc2); if (!SWIG_IsOK(res2)) {
7136     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_OBElement" "', argument " "2"" of type '" "char const *""'"); }
7137   arg2 = reinterpret_cast< char * >(buf2); arg3 = static_cast< double >(REAL(ARENeg)[0]);
7138   arg4 = static_cast< double >(REAL(rcov)[0]); arg5 = static_cast< double >(REAL(rvdw)[0]);
7139   arg6 = static_cast< int >(INTEGER(maxbo)[0]); arg7 = static_cast< double >(REAL(mass)[0]);
7140   arg8 = static_cast< double >(REAL(elNeg)[0]); arg9 = static_cast< double >(REAL(ionize)[0]);
7141   arg10 = static_cast< double >(REAL(elAffin)[0]); arg11 = static_cast< double >(REAL(red)[0]);
7142   arg12 = static_cast< double >(REAL(green)[0]); arg13 = static_cast< double >(REAL(blue)[0]); {
7143     std::string *ptr = (std::string *)0; int res = SWIG_AsPtr_std_string(name, &ptr); if (!SWIG_IsOK(res) || !ptr) {
7144       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "new_OBElement" "', argument " "14"" of type '" "std::string""'");  }
7145      arg14 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }
7146   result = (OpenBabel::OBElement *)new OpenBabel::OBElement(arg1,(char const *)arg2,arg3,arg4,arg5,arg6,arg7,arg8,arg9,arg10,arg11,arg12,arg13,arg14);
7147   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBElement, R_SWIG_OWNER |  0 );
7148   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBElement_GetAtomicNum(SEXP self,SEXP s_swig_copy)7149 SWIGEXPORT SEXP R_swig_OBElement_GetAtomicNum ( SEXP self, SEXP s_swig_copy) { int result;
7150   OpenBabel::OBElement *arg1 = (OpenBabel::OBElement *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
7151   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7152   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBElement, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7153     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBElement_GetAtomicNum" "', argument " "1"" of type '" "OpenBabel::OBElement *""'");  }
7154    arg1 = reinterpret_cast< OpenBabel::OBElement * >(argp1); result = (int)(arg1)->GetAtomicNum();
7155   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBElement_GetSymbol(SEXP self)7156 SWIGEXPORT SEXP R_swig_OBElement_GetSymbol ( SEXP self) { char *result = 0 ;
7157   OpenBabel::OBElement *arg1 = (OpenBabel::OBElement *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
7158   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7159   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBElement, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7160     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBElement_GetSymbol" "', argument " "1"" of type '" "OpenBabel::OBElement *""'");  }
7161    arg1 = reinterpret_cast< OpenBabel::OBElement * >(argp1); result = (char *)(arg1)->GetSymbol();
7162   r_ans = result ? Rf_mkString(reinterpret_cast< char * >(result)) : R_NilValue; vmaxset(r_vmax);
7163   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBElement_GetCovalentRad(SEXP self,SEXP s_swig_copy)7164 SWIGEXPORT SEXP R_swig_OBElement_GetCovalentRad ( SEXP self, SEXP s_swig_copy) { double result;
7165   OpenBabel::OBElement *arg1 = (OpenBabel::OBElement *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
7166   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7167   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBElement, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7168     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBElement_GetCovalentRad" "', argument " "1"" of type '" "OpenBabel::OBElement *""'");  }
7169    arg1 = reinterpret_cast< OpenBabel::OBElement * >(argp1); result = (double)(arg1)->GetCovalentRad();
7170   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
7171   return r_ans; }
R_swig_OBElement_GetVdwRad(SEXP self,SEXP s_swig_copy)7172 SWIGEXPORT SEXP R_swig_OBElement_GetVdwRad ( SEXP self, SEXP s_swig_copy) { double result;
7173   OpenBabel::OBElement *arg1 = (OpenBabel::OBElement *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
7174   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7175   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBElement, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7176     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBElement_GetVdwRad" "', argument " "1"" of type '" "OpenBabel::OBElement *""'");  }
7177    arg1 = reinterpret_cast< OpenBabel::OBElement * >(argp1); result = (double)(arg1)->GetVdwRad();
7178   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
7179   return r_ans; }
R_swig_OBElement_GetMass(SEXP self,SEXP s_swig_copy)7180 SWIGEXPORT SEXP R_swig_OBElement_GetMass ( SEXP self, SEXP s_swig_copy) { double result;
7181   OpenBabel::OBElement *arg1 = (OpenBabel::OBElement *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
7182   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7183   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBElement, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7184     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBElement_GetMass" "', argument " "1"" of type '" "OpenBabel::OBElement *""'");  }
7185    arg1 = reinterpret_cast< OpenBabel::OBElement * >(argp1); result = (double)(arg1)->GetMass();
7186   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
7187   return r_ans; }
R_swig_OBElement_GetMaxBonds(SEXP self,SEXP s_swig_copy)7188 SWIGEXPORT SEXP R_swig_OBElement_GetMaxBonds ( SEXP self, SEXP s_swig_copy) { int result;
7189   OpenBabel::OBElement *arg1 = (OpenBabel::OBElement *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
7190   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7191   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBElement, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7192     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBElement_GetMaxBonds" "', argument " "1"" of type '" "OpenBabel::OBElement *""'");  }
7193    arg1 = reinterpret_cast< OpenBabel::OBElement * >(argp1); result = (int)(arg1)->GetMaxBonds();
7194   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBElement_GetElectroNeg(SEXP self,SEXP s_swig_copy)7195 SWIGEXPORT SEXP R_swig_OBElement_GetElectroNeg ( SEXP self, SEXP s_swig_copy) { double result;
7196   OpenBabel::OBElement *arg1 = (OpenBabel::OBElement *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
7197   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7198   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBElement, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7199     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBElement_GetElectroNeg" "', argument " "1"" of type '" "OpenBabel::OBElement *""'");  }
7200    arg1 = reinterpret_cast< OpenBabel::OBElement * >(argp1); result = (double)(arg1)->GetElectroNeg();
7201   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
7202   return r_ans; }
R_swig_OBElement_GetAllredRochowElectroNeg(SEXP self,SEXP s_swig_copy)7203 SWIGEXPORT SEXP R_swig_OBElement_GetAllredRochowElectroNeg ( SEXP self, SEXP s_swig_copy) { double result;
7204   OpenBabel::OBElement *arg1 = (OpenBabel::OBElement *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
7205   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7206   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBElement, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7207     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBElement_GetAllredRochowElectroNeg" "', argument " "1"" of type '" "OpenBabel::OBElement *""'");  }
7208    arg1 = reinterpret_cast< OpenBabel::OBElement * >(argp1); result = (double)(arg1)->GetAllredRochowElectroNeg();
7209   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
7210   return r_ans; }
R_swig_OBElement_GetIonization(SEXP self,SEXP s_swig_copy)7211 SWIGEXPORT SEXP R_swig_OBElement_GetIonization ( SEXP self, SEXP s_swig_copy) { double result;
7212   OpenBabel::OBElement *arg1 = (OpenBabel::OBElement *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
7213   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7214   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBElement, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7215     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBElement_GetIonization" "', argument " "1"" of type '" "OpenBabel::OBElement *""'");  }
7216    arg1 = reinterpret_cast< OpenBabel::OBElement * >(argp1); result = (double)(arg1)->GetIonization();
7217   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
7218   return r_ans; }
R_swig_OBElement_GetElectronAffinity(SEXP self,SEXP s_swig_copy)7219 SWIGEXPORT SEXP R_swig_OBElement_GetElectronAffinity ( SEXP self, SEXP s_swig_copy) { double result;
7220   OpenBabel::OBElement *arg1 = (OpenBabel::OBElement *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
7221   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7222   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBElement, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7223     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBElement_GetElectronAffinity" "', argument " "1"" of type '" "OpenBabel::OBElement *""'");  }
7224    arg1 = reinterpret_cast< OpenBabel::OBElement * >(argp1); result = (double)(arg1)->GetElectronAffinity();
7225   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
7226   return r_ans; }
R_swig_OBElement_GetName(SEXP self,SEXP s_swig_copy)7227 SWIGEXPORT SEXP R_swig_OBElement_GetName ( SEXP self, SEXP s_swig_copy) { std::string result;
7228   OpenBabel::OBElement *arg1 = (OpenBabel::OBElement *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
7229   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7230   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBElement, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7231     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBElement_GetName" "', argument " "1"" of type '" "OpenBabel::OBElement *""'");  }
7232    arg1 = reinterpret_cast< OpenBabel::OBElement * >(argp1); result = (arg1)->GetName();
7233   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
7234   return r_ans; }
R_swig_OBElement_GetRed(SEXP self,SEXP s_swig_copy)7235 SWIGEXPORT SEXP R_swig_OBElement_GetRed ( SEXP self, SEXP s_swig_copy) { double result;
7236   OpenBabel::OBElement *arg1 = (OpenBabel::OBElement *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
7237   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7238   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBElement, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7239     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBElement_GetRed" "', argument " "1"" of type '" "OpenBabel::OBElement *""'");  }
7240    arg1 = reinterpret_cast< OpenBabel::OBElement * >(argp1); result = (double)(arg1)->GetRed();
7241   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
7242   return r_ans; }
R_swig_OBElement_GetGreen(SEXP self,SEXP s_swig_copy)7243 SWIGEXPORT SEXP R_swig_OBElement_GetGreen ( SEXP self, SEXP s_swig_copy) { double result;
7244   OpenBabel::OBElement *arg1 = (OpenBabel::OBElement *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
7245   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7246   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBElement, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7247     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBElement_GetGreen" "', argument " "1"" of type '" "OpenBabel::OBElement *""'");  }
7248    arg1 = reinterpret_cast< OpenBabel::OBElement * >(argp1); result = (double)(arg1)->GetGreen();
7249   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
7250   return r_ans; }
R_swig_OBElement_GetBlue(SEXP self,SEXP s_swig_copy)7251 SWIGEXPORT SEXP R_swig_OBElement_GetBlue ( SEXP self, SEXP s_swig_copy) { double result;
7252   OpenBabel::OBElement *arg1 = (OpenBabel::OBElement *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
7253   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7254   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBElement, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7255     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBElement_GetBlue" "', argument " "1"" of type '" "OpenBabel::OBElement *""'");  }
7256    arg1 = reinterpret_cast< OpenBabel::OBElement * >(argp1); result = (double)(arg1)->GetBlue();
7257   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
7258   return r_ans; }
R_swig_delete_OBElement(SEXP self)7259 SWIGEXPORT SEXP R_swig_delete_OBElement ( SEXP self) { OpenBabel::OBElement *arg1 = (OpenBabel::OBElement *) 0 ;
7260   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7261   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBElement, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
7262     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBElement" "', argument " "1"" of type '" "OpenBabel::OBElement *""'");  }
7263    arg1 = reinterpret_cast< OpenBabel::OBElement * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
7264   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_new_OBElementTable()7265 SWIGEXPORT SEXP R_swig_new_OBElementTable ( ) { OpenBabel::OBElementTable *result = 0 ; unsigned int r_nprotect = 0;
7266   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBElementTable *)new OpenBabel::OBElementTable();
7267   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBElementTable, R_SWIG_OWNER |  0 );
7268   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBElementTable(SEXP self)7269 SWIGEXPORT SEXP R_swig_delete_OBElementTable ( SEXP self) { OpenBabel::OBElementTable *arg1 = (OpenBabel::OBElementTable *) 0 ;
7270   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7271   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBElementTable, SWIG_POINTER_DISOWN |  0 );
7272   if (!SWIG_IsOK(res1)) {
7273     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBElementTable" "', argument " "1"" of type '" "OpenBabel::OBElementTable *""'");  }
7274    arg1 = reinterpret_cast< OpenBabel::OBElementTable * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
7275   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBElementTable_GetNumberOfElements(SEXP self,SEXP s_swig_copy)7276 SWIGEXPORT SEXP R_swig_OBElementTable_GetNumberOfElements ( SEXP self, SEXP s_swig_copy) { unsigned int result;
7277   OpenBabel::OBElementTable *arg1 = (OpenBabel::OBElementTable *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
7278   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7279   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBElementTable, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7280     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBElementTable_GetNumberOfElements" "', argument " "1"" of type '" "OpenBabel::OBElementTable *""'");  }
7281    arg1 = reinterpret_cast< OpenBabel::OBElementTable * >(argp1); result = (unsigned int)(arg1)->GetNumberOfElements();
7282   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBElementTable_GetAtomicNum__SWIG_0(SEXP self,SEXP s_arg2,SEXP s_swig_copy)7283 SWIGEXPORT SEXP R_swig_OBElementTable_GetAtomicNum__SWIG_0 ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { int result;
7284   OpenBabel::OBElementTable *arg1 = (OpenBabel::OBElementTable *) 0 ; char *arg2 = (char *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
7285   int res2 ; char *buf2 = 0 ; int alloc2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
7286   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBElementTable, 0 |  0 );
7287   if (!SWIG_IsOK(res1)) {
7288     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBElementTable_GetAtomicNum" "', argument " "1"" of type '" "OpenBabel::OBElementTable *""'");  }
7289    arg1 = reinterpret_cast< OpenBabel::OBElementTable * >(argp1); res2 = SWIG_AsCharPtrAndSize(s_arg2, &buf2, NULL, &alloc2);
7290   if (!SWIG_IsOK(res2)) {
7291     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBElementTable_GetAtomicNum" "', argument " "2"" of type '" "char const *""'"); }
7292    arg2 = reinterpret_cast< char * >(buf2); result = (int)(arg1)->GetAtomicNum((char const *)arg2);
7293   r_ans = Rf_ScalarInteger(result); if (alloc2 == SWIG_NEWOBJ) delete[] buf2; vmaxset(r_vmax);
7294   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBElementTable_GetAtomicNum__SWIG_1(SEXP self,SEXP s_arg2,SEXP iso,SEXP s_swig_copy)7295 SWIGEXPORT SEXP R_swig_OBElementTable_GetAtomicNum__SWIG_1 ( SEXP self, SEXP s_arg2, SEXP iso, SEXP s_swig_copy) { int result;
7296   OpenBabel::OBElementTable *arg1 = (OpenBabel::OBElementTable *) 0 ; char *arg2 = (char *) 0 ; int *arg3 = 0 ;
7297   void *argp1 = 0 ; int res1 = 0 ; int res2 ; char *buf2 = 0 ; int alloc2 = 0 ; void *argp3 = 0 ; int res3 = 0 ;
7298   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7299   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBElementTable, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7300     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBElementTable_GetAtomicNum" "', argument " "1"" of type '" "OpenBabel::OBElementTable *""'");  }
7301    arg1 = reinterpret_cast< OpenBabel::OBElementTable * >(argp1); res2 = SWIG_AsCharPtrAndSize(s_arg2, &buf2, NULL, &alloc2);
7302   if (!SWIG_IsOK(res2)) {
7303     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBElementTable_GetAtomicNum" "', argument " "2"" of type '" "char const *""'"); }
7304    arg2 = reinterpret_cast< char * >(buf2); res3 = SWIG_R_ConvertPtr(iso, &argp3, SWIGTYPE_p_int,  0 ); if (!SWIG_IsOK(res3)) {
7305     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBElementTable_GetAtomicNum" "', argument " "3"" of type '" "int &""'");  }
7306    if (!argp3) {
7307     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBElementTable_GetAtomicNum" "', argument " "3"" of type '" "int &""'"); }
7308    arg3 = reinterpret_cast< int * >(argp3); result = (int)(arg1)->GetAtomicNum((char const *)arg2,*arg3);
7309   r_ans = Rf_ScalarInteger(result); if (alloc2 == SWIG_NEWOBJ) delete[] buf2; vmaxset(r_vmax);
7310   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBElementTable_GetAtomicNum__SWIG_2(SEXP self,SEXP name,SEXP iso,SEXP s_swig_copy)7311 SWIGEXPORT SEXP R_swig_OBElementTable_GetAtomicNum__SWIG_2 ( SEXP self, SEXP name, SEXP iso, SEXP s_swig_copy) { int result;
7312   OpenBabel::OBElementTable *arg1 = (OpenBabel::OBElementTable *) 0 ; std::string arg2 ; int *arg3 = 0 ; void *argp1 = 0 ;
7313   int res1 = 0 ; void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
7314   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBElementTable, 0 |  0 );
7315   if (!SWIG_IsOK(res1)) {
7316     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBElementTable_GetAtomicNum" "', argument " "1"" of type '" "OpenBabel::OBElementTable *""'");  }
7317    arg1 = reinterpret_cast< OpenBabel::OBElementTable * >(argp1); { std::string *ptr = (std::string *)0;
7318     int res = SWIG_AsPtr_std_string(name, &ptr); if (!SWIG_IsOK(res) || !ptr) {
7319       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBElementTable_GetAtomicNum" "', argument " "2"" of type '" "std::string""'");  }
7320      arg2 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  res3 = SWIG_R_ConvertPtr(iso, &argp3, SWIGTYPE_p_int,  0 );
7321   if (!SWIG_IsOK(res3)) {
7322     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBElementTable_GetAtomicNum" "', argument " "3"" of type '" "int &""'");  }
7323    if (!argp3) {
7324     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBElementTable_GetAtomicNum" "', argument " "3"" of type '" "int &""'"); }
7325    arg3 = reinterpret_cast< int * >(argp3); result = (int)(arg1)->GetAtomicNum(arg2,*arg3); r_ans = Rf_ScalarInteger(result);
7326   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBElementTable_GetSymbol(SEXP self,SEXP s_arg2)7327 SWIGEXPORT SEXP R_swig_OBElementTable_GetSymbol ( SEXP self, SEXP s_arg2) { char *result = 0 ;
7328   OpenBabel::OBElementTable *arg1 = (OpenBabel::OBElementTable *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
7329   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7330   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBElementTable, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7331     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBElementTable_GetSymbol" "', argument " "1"" of type '" "OpenBabel::OBElementTable *""'");  }
7332    arg1 = reinterpret_cast< OpenBabel::OBElementTable * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
7333   result = (char *)(arg1)->GetSymbol(arg2); r_ans = SWIG_FromCharPtr((const char *)result); vmaxset(r_vmax);
7334   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBElementTable_GetVdwRad(SEXP self,SEXP s_arg2,SEXP s_swig_copy)7335 SWIGEXPORT SEXP R_swig_OBElementTable_GetVdwRad ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { double result;
7336   OpenBabel::OBElementTable *arg1 = (OpenBabel::OBElementTable *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
7337   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7338   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBElementTable, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7339     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBElementTable_GetVdwRad" "', argument " "1"" of type '" "OpenBabel::OBElementTable *""'");  }
7340    arg1 = reinterpret_cast< OpenBabel::OBElementTable * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
7341   result = (double)(arg1)->GetVdwRad(arg2); r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax);
7342   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBElementTable_GetCovalentRad(SEXP self,SEXP s_arg2,SEXP s_swig_copy)7343 SWIGEXPORT SEXP R_swig_OBElementTable_GetCovalentRad ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { double result;
7344   OpenBabel::OBElementTable *arg1 = (OpenBabel::OBElementTable *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
7345   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7346   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBElementTable, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7347     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBElementTable_GetCovalentRad" "', argument " "1"" of type '" "OpenBabel::OBElementTable *""'");  }
7348    arg1 = reinterpret_cast< OpenBabel::OBElementTable * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
7349   result = (double)(arg1)->GetCovalentRad(arg2); r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax);
7350   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBElementTable_GetMass(SEXP self,SEXP s_arg2,SEXP s_swig_copy)7351 SWIGEXPORT SEXP R_swig_OBElementTable_GetMass ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { double result;
7352   OpenBabel::OBElementTable *arg1 = (OpenBabel::OBElementTable *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
7353   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7354   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBElementTable, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7355     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBElementTable_GetMass" "', argument " "1"" of type '" "OpenBabel::OBElementTable *""'");  }
7356    arg1 = reinterpret_cast< OpenBabel::OBElementTable * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
7357   result = (double)(arg1)->GetMass(arg2); r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax);
7358   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBElementTable_CorrectedBondRad__SWIG_0(SEXP self,SEXP s_arg2,SEXP s_arg3,SEXP s_swig_copy)7359 SWIGEXPORT SEXP R_swig_OBElementTable_CorrectedBondRad__SWIG_0 ( SEXP self, SEXP s_arg2, SEXP s_arg3, SEXP s_swig_copy) {
7360   double result; OpenBabel::OBElementTable *arg1 = (OpenBabel::OBElementTable *) 0 ; int arg2 ; int arg3 ; void *argp1 = 0 ;
7361   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7362   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBElementTable, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7363     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBElementTable_CorrectedBondRad" "', argument " "1"" of type '" "OpenBabel::OBElementTable *""'");  }
7364    arg1 = reinterpret_cast< OpenBabel::OBElementTable * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
7365   arg3 = static_cast< int >(INTEGER(s_arg3)[0]); result = (double)(arg1)->CorrectedBondRad(arg2,arg3);
7366   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
7367   return r_ans; }
R_swig_OBElementTable_CorrectedBondRad__SWIG_1(SEXP self,SEXP s_arg2,SEXP s_swig_copy)7368 SWIGEXPORT SEXP R_swig_OBElementTable_CorrectedBondRad__SWIG_1 ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { double result;
7369   OpenBabel::OBElementTable *arg1 = (OpenBabel::OBElementTable *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
7370   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7371   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBElementTable, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7372     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBElementTable_CorrectedBondRad" "', argument " "1"" of type '" "OpenBabel::OBElementTable *""'");  }
7373    arg1 = reinterpret_cast< OpenBabel::OBElementTable * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
7374   result = (double)(arg1)->CorrectedBondRad(arg2); r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax);
7375   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBElementTable_CorrectedVdwRad__SWIG_0(SEXP self,SEXP s_arg2,SEXP s_arg3,SEXP s_swig_copy)7376 SWIGEXPORT SEXP R_swig_OBElementTable_CorrectedVdwRad__SWIG_0 ( SEXP self, SEXP s_arg2, SEXP s_arg3, SEXP s_swig_copy) {
7377   double result; OpenBabel::OBElementTable *arg1 = (OpenBabel::OBElementTable *) 0 ; int arg2 ; int arg3 ; void *argp1 = 0 ;
7378   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7379   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBElementTable, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7380     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBElementTable_CorrectedVdwRad" "', argument " "1"" of type '" "OpenBabel::OBElementTable *""'");  }
7381    arg1 = reinterpret_cast< OpenBabel::OBElementTable * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
7382   arg3 = static_cast< int >(INTEGER(s_arg3)[0]); result = (double)(arg1)->CorrectedVdwRad(arg2,arg3);
7383   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
7384   return r_ans; }
R_swig_OBElementTable_CorrectedVdwRad__SWIG_1(SEXP self,SEXP s_arg2,SEXP s_swig_copy)7385 SWIGEXPORT SEXP R_swig_OBElementTable_CorrectedVdwRad__SWIG_1 ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { double result;
7386   OpenBabel::OBElementTable *arg1 = (OpenBabel::OBElementTable *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
7387   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7388   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBElementTable, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7389     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBElementTable_CorrectedVdwRad" "', argument " "1"" of type '" "OpenBabel::OBElementTable *""'");  }
7390    arg1 = reinterpret_cast< OpenBabel::OBElementTable * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
7391   result = (double)(arg1)->CorrectedVdwRad(arg2); r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax);
7392   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBElementTable_GetMaxBonds(SEXP self,SEXP s_arg2,SEXP s_swig_copy)7393 SWIGEXPORT SEXP R_swig_OBElementTable_GetMaxBonds ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { int result;
7394   OpenBabel::OBElementTable *arg1 = (OpenBabel::OBElementTable *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
7395   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7396   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBElementTable, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7397     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBElementTable_GetMaxBonds" "', argument " "1"" of type '" "OpenBabel::OBElementTable *""'");  }
7398    arg1 = reinterpret_cast< OpenBabel::OBElementTable * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
7399   result = (int)(arg1)->GetMaxBonds(arg2); r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax);
7400   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBElementTable_GetElectroNeg(SEXP self,SEXP s_arg2,SEXP s_swig_copy)7401 SWIGEXPORT SEXP R_swig_OBElementTable_GetElectroNeg ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { double result;
7402   OpenBabel::OBElementTable *arg1 = (OpenBabel::OBElementTable *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
7403   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7404   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBElementTable, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7405     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBElementTable_GetElectroNeg" "', argument " "1"" of type '" "OpenBabel::OBElementTable *""'");  }
7406    arg1 = reinterpret_cast< OpenBabel::OBElementTable * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
7407   result = (double)(arg1)->GetElectroNeg(arg2); r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax);
7408   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBElementTable_GetAllredRochowElectroNeg(SEXP self,SEXP s_arg2,SEXP s_swig_copy)7409 SWIGEXPORT SEXP R_swig_OBElementTable_GetAllredRochowElectroNeg ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { double result;
7410   OpenBabel::OBElementTable *arg1 = (OpenBabel::OBElementTable *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
7411   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7412   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBElementTable, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7413     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBElementTable_GetAllredRochowElectroNeg" "', argument " "1"" of type '" "OpenBabel::OBElementTable *""'");  }
7414    arg1 = reinterpret_cast< OpenBabel::OBElementTable * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
7415   result = (double)(arg1)->GetAllredRochowElectroNeg(arg2); r_ans = SWIG_From_double(static_cast< double >(result));
7416   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBElementTable_GetIonization(SEXP self,SEXP s_arg2,SEXP s_swig_copy)7417 SWIGEXPORT SEXP R_swig_OBElementTable_GetIonization ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { double result;
7418   OpenBabel::OBElementTable *arg1 = (OpenBabel::OBElementTable *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
7419   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7420   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBElementTable, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7421     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBElementTable_GetIonization" "', argument " "1"" of type '" "OpenBabel::OBElementTable *""'");  }
7422    arg1 = reinterpret_cast< OpenBabel::OBElementTable * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
7423   result = (double)(arg1)->GetIonization(arg2); r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax);
7424   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBElementTable_GetElectronAffinity(SEXP self,SEXP s_arg2,SEXP s_swig_copy)7425 SWIGEXPORT SEXP R_swig_OBElementTable_GetElectronAffinity ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { double result;
7426   OpenBabel::OBElementTable *arg1 = (OpenBabel::OBElementTable *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
7427   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7428   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBElementTable, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7429     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBElementTable_GetElectronAffinity" "', argument " "1"" of type '" "OpenBabel::OBElementTable *""'");  }
7430    arg1 = reinterpret_cast< OpenBabel::OBElementTable * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
7431   result = (double)(arg1)->GetElectronAffinity(arg2); r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax);
7432   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBElementTable_GetRGB(SEXP self,SEXP s_arg2,SEXP s_swig_copy)7433 SWIGEXPORT SEXP R_swig_OBElementTable_GetRGB ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) {
7434   std::vector< double,std::allocator< double > > result; OpenBabel::OBElementTable *arg1 = (OpenBabel::OBElementTable *) 0 ;
7435   int arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
7436   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBElementTable, 0 |  0 );
7437   if (!SWIG_IsOK(res1)) {
7438     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBElementTable_GetRGB" "', argument " "1"" of type '" "OpenBabel::OBElementTable *""'");  }
7439    arg1 = reinterpret_cast< OpenBabel::OBElementTable * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
7440   result = (arg1)->GetRGB(arg2); r_ans = swig::from(static_cast< std::vector<double,std::allocator< double > > >(result));
7441   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBElementTable_GetName(SEXP self,SEXP s_arg2,SEXP s_swig_copy)7442 SWIGEXPORT SEXP R_swig_OBElementTable_GetName ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { std::string result;
7443   OpenBabel::OBElementTable *arg1 = (OpenBabel::OBElementTable *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
7444   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7445   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBElementTable, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7446     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBElementTable_GetName" "', argument " "1"" of type '" "OpenBabel::OBElementTable *""'");  }
7447    arg1 = reinterpret_cast< OpenBabel::OBElementTable * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
7448   result = (arg1)->GetName(arg2); r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax);
7449   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBIsotopeTable()7450 SWIGEXPORT SEXP R_swig_new_OBIsotopeTable ( ) { OpenBabel::OBIsotopeTable *result = 0 ; unsigned int r_nprotect = 0;
7451   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBIsotopeTable *)new OpenBabel::OBIsotopeTable();
7452   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBIsotopeTable, R_SWIG_OWNER |  0 );
7453   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBIsotopeTable(SEXP self)7454 SWIGEXPORT SEXP R_swig_delete_OBIsotopeTable ( SEXP self) { OpenBabel::OBIsotopeTable *arg1 = (OpenBabel::OBIsotopeTable *) 0 ;
7455   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7456   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBIsotopeTable, SWIG_POINTER_DISOWN |  0 );
7457   if (!SWIG_IsOK(res1)) {
7458     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBIsotopeTable" "', argument " "1"" of type '" "OpenBabel::OBIsotopeTable *""'");  }
7459    arg1 = reinterpret_cast< OpenBabel::OBIsotopeTable * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
7460   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBIsotopeTable_GetExactMass__SWIG_0(SEXP self,SEXP atomicNum,SEXP isotope,SEXP s_swig_copy)7461 SWIGEXPORT SEXP R_swig_OBIsotopeTable_GetExactMass__SWIG_0 ( SEXP self, SEXP atomicNum, SEXP isotope, SEXP s_swig_copy) {
7462   double result; OpenBabel::OBIsotopeTable *arg1 = (OpenBabel::OBIsotopeTable *) 0 ; unsigned int arg2 ; unsigned int arg3 ;
7463   void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0;
7464   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7465   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBIsotopeTable, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7466     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBIsotopeTable_GetExactMass" "', argument " "1"" of type '" "OpenBabel::OBIsotopeTable *""'");  }
7467    arg1 = reinterpret_cast< OpenBabel::OBIsotopeTable * >(argp1); ecode2 = SWIG_AsVal_int(atomicNum, &val2);
7468   if (!SWIG_IsOK(ecode2)) {
7469     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBIsotopeTable_GetExactMass" "', argument " "2"" of type '" "unsigned int""'"); }
7470     arg2 = static_cast< unsigned int >(val2); ecode3 = SWIG_AsVal_int(isotope, &val3); if (!SWIG_IsOK(ecode3)) {
7471     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "OBIsotopeTable_GetExactMass" "', argument " "3"" of type '" "unsigned int""'"); }
7472     arg3 = static_cast< unsigned int >(val3); result = (double)(arg1)->GetExactMass(arg2,arg3);
7473   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
7474   return r_ans; }
R_swig_OBIsotopeTable_GetExactMass__SWIG_1(SEXP self,SEXP atomicNum,SEXP s_swig_copy)7475 SWIGEXPORT SEXP R_swig_OBIsotopeTable_GetExactMass__SWIG_1 ( SEXP self, SEXP atomicNum, SEXP s_swig_copy) { double result;
7476   OpenBabel::OBIsotopeTable *arg1 = (OpenBabel::OBIsotopeTable *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
7477   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7478   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBIsotopeTable, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7479     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBIsotopeTable_GetExactMass" "', argument " "1"" of type '" "OpenBabel::OBIsotopeTable *""'");  }
7480    arg1 = reinterpret_cast< OpenBabel::OBIsotopeTable * >(argp1); ecode2 = SWIG_AsVal_int(atomicNum, &val2);
7481   if (!SWIG_IsOK(ecode2)) {
7482     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBIsotopeTable_GetExactMass" "', argument " "2"" of type '" "unsigned int""'"); }
7483     arg2 = static_cast< unsigned int >(val2); result = (double)(arg1)->GetExactMass(arg2);
7484   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
7485   return r_ans; }
R_swig_new_OBAtomHOF(SEXP element,SEXP method,SEXP desc,SEXP T,SEXP value,SEXP multiplicity)7486 SWIGEXPORT SEXP R_swig_new_OBAtomHOF ( SEXP element, SEXP method, SEXP desc, SEXP T, SEXP value, SEXP multiplicity) {
7487   OpenBabel::OBAtomHOF *result = 0 ; std::string arg1 ; std::string arg2 ; std::string arg3 ; double arg4 ; double arg5 ;
7488   int arg6 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; {
7489     std::string *ptr = (std::string *)0; int res = SWIG_AsPtr_std_string(element, &ptr); if (!SWIG_IsOK(res) || !ptr) {
7490       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "new_OBAtomHOF" "', argument " "1"" of type '" "std::string""'");  }
7491      arg1 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  { std::string *ptr = (std::string *)0;
7492     int res = SWIG_AsPtr_std_string(method, &ptr); if (!SWIG_IsOK(res) || !ptr) {
7493       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "new_OBAtomHOF" "', argument " "2"" of type '" "std::string""'");  }
7494      arg2 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  { std::string *ptr = (std::string *)0;
7495     int res = SWIG_AsPtr_std_string(desc, &ptr); if (!SWIG_IsOK(res) || !ptr) {
7496       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "new_OBAtomHOF" "', argument " "3"" of type '" "std::string""'");  }
7497      arg3 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  arg4 = static_cast< double >(REAL(T)[0]);
7498   arg5 = static_cast< double >(REAL(value)[0]); arg6 = static_cast< int >(INTEGER(multiplicity)[0]);
7499   result = (OpenBabel::OBAtomHOF *)new OpenBabel::OBAtomHOF(arg1,arg2,arg3,arg4,arg5,arg6);
7500   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtomHOF, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
7501   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBAtomHOF(SEXP self)7502 SWIGEXPORT SEXP R_swig_delete_OBAtomHOF ( SEXP self) { OpenBabel::OBAtomHOF *arg1 = (OpenBabel::OBAtomHOF *) 0 ;
7503   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7504   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomHOF, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
7505     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBAtomHOF" "', argument " "1"" of type '" "OpenBabel::OBAtomHOF *""'");  }
7506    arg1 = reinterpret_cast< OpenBabel::OBAtomHOF * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
7507   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBAtomHOF_Element(SEXP self,SEXP s_swig_copy)7508 SWIGEXPORT SEXP R_swig_OBAtomHOF_Element ( SEXP self, SEXP s_swig_copy) { std::string result;
7509   OpenBabel::OBAtomHOF *arg1 = (OpenBabel::OBAtomHOF *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
7510   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7511   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomHOF, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7512     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomHOF_Element" "', argument " "1"" of type '" "OpenBabel::OBAtomHOF *""'");  }
7513    arg1 = reinterpret_cast< OpenBabel::OBAtomHOF * >(argp1); result = (arg1)->Element();
7514   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
7515   return r_ans; }
R_swig_OBAtomHOF_Method(SEXP self,SEXP s_swig_copy)7516 SWIGEXPORT SEXP R_swig_OBAtomHOF_Method ( SEXP self, SEXP s_swig_copy) { std::string result;
7517   OpenBabel::OBAtomHOF *arg1 = (OpenBabel::OBAtomHOF *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
7518   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7519   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomHOF, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7520     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomHOF_Method" "', argument " "1"" of type '" "OpenBabel::OBAtomHOF *""'");  }
7521    arg1 = reinterpret_cast< OpenBabel::OBAtomHOF * >(argp1); result = (arg1)->Method();
7522   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
7523   return r_ans; }
R_swig_OBAtomHOF_Desc(SEXP self,SEXP s_swig_copy)7524 SWIGEXPORT SEXP R_swig_OBAtomHOF_Desc ( SEXP self, SEXP s_swig_copy) { std::string result;
7525   OpenBabel::OBAtomHOF *arg1 = (OpenBabel::OBAtomHOF *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
7526   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7527   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomHOF, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7528     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomHOF_Desc" "', argument " "1"" of type '" "OpenBabel::OBAtomHOF *""'");  }
7529    arg1 = reinterpret_cast< OpenBabel::OBAtomHOF * >(argp1); result = (arg1)->Desc();
7530   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
7531   return r_ans; }
R_swig_OBAtomHOF_T(SEXP self,SEXP s_swig_copy)7532 SWIGEXPORT SEXP R_swig_OBAtomHOF_T ( SEXP self, SEXP s_swig_copy) { double result;
7533   OpenBabel::OBAtomHOF *arg1 = (OpenBabel::OBAtomHOF *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
7534   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7535   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomHOF, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7536     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomHOF_T" "', argument " "1"" of type '" "OpenBabel::OBAtomHOF *""'");  }
7537    arg1 = reinterpret_cast< OpenBabel::OBAtomHOF * >(argp1); result = (double)(arg1)->T();
7538   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
7539   return r_ans; }
R_swig_OBAtomHOF_Value(SEXP self,SEXP s_swig_copy)7540 SWIGEXPORT SEXP R_swig_OBAtomHOF_Value ( SEXP self, SEXP s_swig_copy) { double result;
7541   OpenBabel::OBAtomHOF *arg1 = (OpenBabel::OBAtomHOF *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
7542   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7543   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomHOF, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7544     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomHOF_Value" "', argument " "1"" of type '" "OpenBabel::OBAtomHOF *""'");  }
7545    arg1 = reinterpret_cast< OpenBabel::OBAtomHOF * >(argp1); result = (double)(arg1)->Value();
7546   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
7547   return r_ans; }
R_swig_OBAtomHOF_Multiplicity(SEXP self,SEXP s_swig_copy)7548 SWIGEXPORT SEXP R_swig_OBAtomHOF_Multiplicity ( SEXP self, SEXP s_swig_copy) { int result;
7549   OpenBabel::OBAtomHOF *arg1 = (OpenBabel::OBAtomHOF *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
7550   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7551   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomHOF, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7552     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomHOF_Multiplicity" "', argument " "1"" of type '" "OpenBabel::OBAtomHOF *""'");  }
7553    arg1 = reinterpret_cast< OpenBabel::OBAtomHOF * >(argp1); result = (int)(arg1)->Multiplicity();
7554   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBAtomicHeatOfFormationTable()7555 SWIGEXPORT SEXP R_swig_new_OBAtomicHeatOfFormationTable ( ) { OpenBabel::OBAtomicHeatOfFormationTable *result = 0 ;
7556   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7557   result = (OpenBabel::OBAtomicHeatOfFormationTable *)new OpenBabel::OBAtomicHeatOfFormationTable();
7558   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtomicHeatOfFormationTable, R_SWIG_OWNER |  0 );
7559   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBAtomicHeatOfFormationTable(SEXP self)7560 SWIGEXPORT SEXP R_swig_delete_OBAtomicHeatOfFormationTable ( SEXP self) {
7561   OpenBabel::OBAtomicHeatOfFormationTable *arg1 = (OpenBabel::OBAtomicHeatOfFormationTable *) 0 ; void *argp1 = 0 ;
7562   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7563   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomicHeatOfFormationTable, SWIG_POINTER_DISOWN |  0 );
7564   if (!SWIG_IsOK(res1)) {
7565     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBAtomicHeatOfFormationTable" "', argument " "1"" of type '" "OpenBabel::OBAtomicHeatOfFormationTable *""'");  }
7566    arg1 = reinterpret_cast< OpenBabel::OBAtomicHeatOfFormationTable * >(argp1); delete arg1; r_ans = R_NilValue;
7567   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
7568 SWIGEXPORT SEXP
R_swig_OBAtomicHeatOfFormationTable_GetHeatOfFormation(SEXP self,SEXP elem,SEXP method,SEXP multiplicity,SEXP dhof0,SEXP dhof298,SEXP s_swig_copy)7569 R_swig_OBAtomicHeatOfFormationTable_GetHeatOfFormation ( SEXP self, SEXP elem, SEXP method, SEXP multiplicity, SEXP dhof0, SEXP dhof298, SEXP s_swig_copy)
7570 { int result; OpenBabel::OBAtomicHeatOfFormationTable *arg1 = (OpenBabel::OBAtomicHeatOfFormationTable *) 0 ;
7571   char *arg2 = (char *) 0 ; char *arg3 = (char *) 0 ; int arg4 ; double *arg5 = (double *) 0 ; double *arg6 = (double *) 0 ;
7572   void *argp1 = 0 ; int res1 = 0 ; int res2 ; char *buf2 = 0 ; int alloc2 = 0 ; unsigned int r_nprotect = 0;
7573   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7574   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomicHeatOfFormationTable, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7575     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomicHeatOfFormationTable_GetHeatOfFormation" "', argument " "1"" of type '" "OpenBabel::OBAtomicHeatOfFormationTable *""'");  }
7576    arg1 = reinterpret_cast< OpenBabel::OBAtomicHeatOfFormationTable * >(argp1);
7577   res2 = SWIG_AsCharPtrAndSize(elem, &buf2, NULL, &alloc2); if (!SWIG_IsOK(res2)) {
7578     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomicHeatOfFormationTable_GetHeatOfFormation" "', argument " "2"" of type '" "char const *""'"); }
7579    arg2 = reinterpret_cast< char * >(buf2); arg3 = reinterpret_cast< char * >(SWIG_strdup(CHAR(STRING_ELT(method, 0))));
7580   arg4 = static_cast< int >(INTEGER(multiplicity)[0]); { { int _rswigi; int _rswiglen = LENGTH(dhof0);
7581       arg5 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
7582         arg5[_rswigi] = REAL(dhof0)[_rswigi]; }  }  }  { { int _rswigi; int _rswiglen = LENGTH(dhof298);
7583       arg6 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
7584         arg6[_rswigi] = REAL(dhof298)[_rswigi]; }  }  }
7585   result = (int)(arg1)->GetHeatOfFormation((char const *)arg2,arg3,arg4,arg5,arg6); r_ans = Rf_ScalarInteger(result);
7586   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; free(arg3); free(arg5); free(arg6); vmaxset(r_vmax);
7587   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBTypeTable()7588 SWIGEXPORT SEXP R_swig_new_OBTypeTable ( ) { OpenBabel::OBTypeTable *result = 0 ; unsigned int r_nprotect = 0;
7589   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBTypeTable *)new OpenBabel::OBTypeTable();
7590   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBTypeTable, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
7591   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBTypeTable(SEXP self)7592 SWIGEXPORT SEXP R_swig_delete_OBTypeTable ( SEXP self) { OpenBabel::OBTypeTable *arg1 = (OpenBabel::OBTypeTable *) 0 ;
7593   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7594   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTypeTable, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
7595     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBTypeTable" "', argument " "1"" of type '" "OpenBabel::OBTypeTable *""'");  }
7596    arg1 = reinterpret_cast< OpenBabel::OBTypeTable * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
7597   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBTypeTable_SetFromType(SEXP self,SEXP s_arg2,SEXP s_swig_copy)7598 SWIGEXPORT SEXP R_swig_OBTypeTable_SetFromType ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
7599   OpenBabel::OBTypeTable *arg1 = (OpenBabel::OBTypeTable *) 0 ; char *arg2 = (char *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
7600   int res2 ; char *buf2 = 0 ; int alloc2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
7601   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTypeTable, 0 |  0 );
7602   if (!SWIG_IsOK(res1)) {
7603     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTypeTable_SetFromType" "', argument " "1"" of type '" "OpenBabel::OBTypeTable *""'");  }
7604    arg1 = reinterpret_cast< OpenBabel::OBTypeTable * >(argp1); res2 = SWIG_AsCharPtrAndSize(s_arg2, &buf2, NULL, &alloc2);
7605   if (!SWIG_IsOK(res2)) {
7606     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBTypeTable_SetFromType" "', argument " "2"" of type '" "char const *""'"); }
7607    arg2 = reinterpret_cast< char * >(buf2); result = (bool)(arg1)->SetFromType((char const *)arg2);
7608   r_ans = Rf_ScalarLogical(result); if (alloc2 == SWIG_NEWOBJ) delete[] buf2; vmaxset(r_vmax);
7609   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBTypeTable_SetToType(SEXP self,SEXP s_arg2,SEXP s_swig_copy)7610 SWIGEXPORT SEXP R_swig_OBTypeTable_SetToType ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
7611   OpenBabel::OBTypeTable *arg1 = (OpenBabel::OBTypeTable *) 0 ; char *arg2 = (char *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
7612   int res2 ; char *buf2 = 0 ; int alloc2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
7613   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTypeTable, 0 |  0 );
7614   if (!SWIG_IsOK(res1)) {
7615     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTypeTable_SetToType" "', argument " "1"" of type '" "OpenBabel::OBTypeTable *""'");  }
7616    arg1 = reinterpret_cast< OpenBabel::OBTypeTable * >(argp1); res2 = SWIG_AsCharPtrAndSize(s_arg2, &buf2, NULL, &alloc2);
7617   if (!SWIG_IsOK(res2)) {
7618     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBTypeTable_SetToType" "', argument " "2"" of type '" "char const *""'"); }
7619    arg2 = reinterpret_cast< char * >(buf2); result = (bool)(arg1)->SetToType((char const *)arg2);
7620   r_ans = Rf_ScalarLogical(result); if (alloc2 == SWIG_NEWOBJ) delete[] buf2; vmaxset(r_vmax);
7621   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBTypeTable_Translate__SWIG_0(SEXP self,SEXP to,SEXP from,SEXP s_swig_copy)7622 SWIGEXPORT SEXP R_swig_OBTypeTable_Translate__SWIG_0 ( SEXP self, SEXP to, SEXP from, SEXP s_swig_copy) { bool result;
7623   OpenBabel::OBTypeTable *arg1 = (OpenBabel::OBTypeTable *) 0 ; char *arg2 = (char *) 0 ; char *arg3 = (char *) 0 ;
7624   void *argp1 = 0 ; int res1 = 0 ; int res3 ; char *buf3 = 0 ; int alloc3 = 0 ; unsigned int r_nprotect = 0;
7625   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7626   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTypeTable, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7627     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTypeTable_Translate" "', argument " "1"" of type '" "OpenBabel::OBTypeTable *""'");  }
7628    arg1 = reinterpret_cast< OpenBabel::OBTypeTable * >(argp1);
7629   arg2 = reinterpret_cast< char * >(SWIG_strdup(CHAR(STRING_ELT(to, 0))));
7630   res3 = SWIG_AsCharPtrAndSize(from, &buf3, NULL, &alloc3); if (!SWIG_IsOK(res3)) {
7631     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBTypeTable_Translate" "', argument " "3"" of type '" "char const *""'"); }
7632    arg3 = reinterpret_cast< char * >(buf3); result = (bool)(arg1)->Translate(arg2,(char const *)arg3);
7633   r_ans = Rf_ScalarLogical(result); free(arg2); if (alloc3 == SWIG_NEWOBJ) delete[] buf3; vmaxset(r_vmax);
7634   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBTypeTable_Translate__SWIG_1(SEXP self,SEXP to,SEXP from,SEXP s_swig_copy)7635 SWIGEXPORT SEXP R_swig_OBTypeTable_Translate__SWIG_1 ( SEXP self, SEXP to, SEXP from, SEXP s_swig_copy) { bool result;
7636   OpenBabel::OBTypeTable *arg1 = (OpenBabel::OBTypeTable *) 0 ; std::string *arg2 = 0 ; std::string *arg3 = 0 ;
7637   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; int res3 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0;
7638   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7639   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTypeTable, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7640     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTypeTable_Translate" "', argument " "1"" of type '" "OpenBabel::OBTypeTable *""'");  }
7641    arg1 = reinterpret_cast< OpenBabel::OBTypeTable * >(argp1);
7642   res2 = SWIG_R_ConvertPtr(to, &argp2, SWIGTYPE_p_std__string,  0 ); if (!SWIG_IsOK(res2)) {
7643     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBTypeTable_Translate" "', argument " "2"" of type '" "std::string &""'");  }
7644    if (!argp2) {
7645     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBTypeTable_Translate" "', argument " "2"" of type '" "std::string &""'"); }
7646    arg2 = reinterpret_cast< std::string * >(argp2); { std::string *ptr = (std::string *)0;
7647     res3 = SWIG_AsPtr_std_string(from, &ptr); if (!SWIG_IsOK(res3)) {
7648       SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBTypeTable_Translate" "', argument " "3"" of type '" "std::string const &""'"); }
7649      if (!ptr) {
7650       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBTypeTable_Translate" "', argument " "3"" of type '" "std::string const &""'"); }
7651      arg3 = ptr; }  result = (bool)(arg1)->Translate(*arg2,(std::string const &)*arg3); r_ans = Rf_ScalarLogical(result);
7652   if (SWIG_IsNewObj(res3)) delete arg3; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBTypeTable_Translate__SWIG_2(SEXP self,SEXP from,SEXP s_swig_copy)7653 SWIGEXPORT SEXP R_swig_OBTypeTable_Translate__SWIG_2 ( SEXP self, SEXP from, SEXP s_swig_copy) { std::string result;
7654   OpenBabel::OBTypeTable *arg1 = (OpenBabel::OBTypeTable *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
7655   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7656   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTypeTable, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7657     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTypeTable_Translate" "', argument " "1"" of type '" "OpenBabel::OBTypeTable *""'");  }
7658    arg1 = reinterpret_cast< OpenBabel::OBTypeTable * >(argp1); { std::string *ptr = (std::string *)0;
7659     res2 = SWIG_AsPtr_std_string(from, &ptr); if (!SWIG_IsOK(res2)) {
7660       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBTypeTable_Translate" "', argument " "2"" of type '" "std::string const &""'"); }
7661      if (!ptr) {
7662       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBTypeTable_Translate" "', argument " "2"" of type '" "std::string const &""'"); }
7663      arg2 = ptr; }  result = (arg1)->Translate((std::string const &)*arg2);
7664   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax);
7665   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBTypeTable_GetFromType(SEXP self,SEXP s_swig_copy)7666 SWIGEXPORT SEXP R_swig_OBTypeTable_GetFromType ( SEXP self, SEXP s_swig_copy) { std::string result;
7667   OpenBabel::OBTypeTable *arg1 = (OpenBabel::OBTypeTable *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
7668   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7669   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTypeTable, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7670     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTypeTable_GetFromType" "', argument " "1"" of type '" "OpenBabel::OBTypeTable *""'");  }
7671    arg1 = reinterpret_cast< OpenBabel::OBTypeTable * >(argp1); result = (arg1)->GetFromType();
7672   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
7673   return r_ans; }
R_swig_OBTypeTable_GetToType(SEXP self,SEXP s_swig_copy)7674 SWIGEXPORT SEXP R_swig_OBTypeTable_GetToType ( SEXP self, SEXP s_swig_copy) { std::string result;
7675   OpenBabel::OBTypeTable *arg1 = (OpenBabel::OBTypeTable *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
7676   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7677   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTypeTable, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7678     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTypeTable_GetToType" "', argument " "1"" of type '" "OpenBabel::OBTypeTable *""'");  }
7679    arg1 = reinterpret_cast< OpenBabel::OBTypeTable * >(argp1); result = (arg1)->GetToType();
7680   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
7681   return r_ans; }
R_swig_new_OBResidueData()7682 SWIGEXPORT SEXP R_swig_new_OBResidueData ( ) { OpenBabel::OBResidueData *result = 0 ; unsigned int r_nprotect = 0;
7683   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBResidueData *)new OpenBabel::OBResidueData();
7684   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBResidueData, R_SWIG_OWNER |  0 );
7685   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueData_SetResName(SEXP self,SEXP s_arg2,SEXP s_swig_copy)7686 SWIGEXPORT SEXP R_swig_OBResidueData_SetResName ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
7687   OpenBabel::OBResidueData *arg1 = (OpenBabel::OBResidueData *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
7688   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7689   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7690     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueData_SetResName" "', argument " "1"" of type '" "OpenBabel::OBResidueData *""'");  }
7691    arg1 = reinterpret_cast< OpenBabel::OBResidueData * >(argp1); { std::string *ptr = (std::string *)0;
7692     res2 = SWIG_AsPtr_std_string(s_arg2, &ptr); if (!SWIG_IsOK(res2)) {
7693       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueData_SetResName" "', argument " "2"" of type '" "std::string const &""'"); }
7694      if (!ptr) {
7695       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueData_SetResName" "', argument " "2"" of type '" "std::string const &""'"); }
7696      arg2 = ptr; }  result = (bool)(arg1)->SetResName((std::string const &)*arg2); r_ans = Rf_ScalarLogical(result);
7697   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueData_LookupBO__SWIG_0(SEXP self,SEXP s_arg2,SEXP s_swig_copy)7698 SWIGEXPORT SEXP R_swig_OBResidueData_LookupBO__SWIG_0 ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { int result;
7699   OpenBabel::OBResidueData *arg1 = (OpenBabel::OBResidueData *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
7700   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7701   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7702     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueData_LookupBO" "', argument " "1"" of type '" "OpenBabel::OBResidueData *""'");  }
7703    arg1 = reinterpret_cast< OpenBabel::OBResidueData * >(argp1); { std::string *ptr = (std::string *)0;
7704     res2 = SWIG_AsPtr_std_string(s_arg2, &ptr); if (!SWIG_IsOK(res2)) {
7705       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueData_LookupBO" "', argument " "2"" of type '" "std::string const &""'"); }
7706      if (!ptr) {
7707       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueData_LookupBO" "', argument " "2"" of type '" "std::string const &""'"); }
7708      arg2 = ptr; }  result = (int)(arg1)->LookupBO((std::string const &)*arg2); r_ans = Rf_ScalarInteger(result);
7709   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueData_LookupBO__SWIG_1(SEXP self,SEXP s_arg2,SEXP s_arg3,SEXP s_swig_copy)7710 SWIGEXPORT SEXP R_swig_OBResidueData_LookupBO__SWIG_1 ( SEXP self, SEXP s_arg2, SEXP s_arg3, SEXP s_swig_copy) { int result;
7711   OpenBabel::OBResidueData *arg1 = (OpenBabel::OBResidueData *) 0 ; std::string *arg2 = 0 ; std::string *arg3 = 0 ;
7712   void *argp1 = 0 ; int res1 = 0 ; int res2 = SWIG_OLDOBJ ; int res3 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0;
7713   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7714   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7715     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueData_LookupBO" "', argument " "1"" of type '" "OpenBabel::OBResidueData *""'");  }
7716    arg1 = reinterpret_cast< OpenBabel::OBResidueData * >(argp1); { std::string *ptr = (std::string *)0;
7717     res2 = SWIG_AsPtr_std_string(s_arg2, &ptr); if (!SWIG_IsOK(res2)) {
7718       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueData_LookupBO" "', argument " "2"" of type '" "std::string const &""'"); }
7719      if (!ptr) {
7720       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueData_LookupBO" "', argument " "2"" of type '" "std::string const &""'"); }
7721      arg2 = ptr; }  { std::string *ptr = (std::string *)0; res3 = SWIG_AsPtr_std_string(s_arg3, &ptr); if (!SWIG_IsOK(res3)) {
7722       SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBResidueData_LookupBO" "', argument " "3"" of type '" "std::string const &""'"); }
7723      if (!ptr) {
7724       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueData_LookupBO" "', argument " "3"" of type '" "std::string const &""'"); }
7725      arg3 = ptr; }  result = (int)(arg1)->LookupBO((std::string const &)*arg2,(std::string const &)*arg3);
7726   r_ans = Rf_ScalarInteger(result); if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; vmaxset(r_vmax);
7727   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueData_LookupType(SEXP self,SEXP s_arg2,SEXP s_arg3,SEXP s_arg4,SEXP s_swig_copy)7728 SWIGEXPORT SEXP R_swig_OBResidueData_LookupType ( SEXP self, SEXP s_arg2, SEXP s_arg3, SEXP s_arg4, SEXP s_swig_copy) {
7729   bool result; OpenBabel::OBResidueData *arg1 = (OpenBabel::OBResidueData *) 0 ; std::string *arg2 = 0 ; std::string *arg3 = 0 ;
7730   int *arg4 = 0 ; void *argp1 = 0 ; int res1 = 0 ; int res2 = SWIG_OLDOBJ ; void *argp3 = 0 ; int res3 = 0 ; void *argp4 = 0 ;
7731   int res4 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7732   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7733     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueData_LookupType" "', argument " "1"" of type '" "OpenBabel::OBResidueData *""'");  }
7734    arg1 = reinterpret_cast< OpenBabel::OBResidueData * >(argp1); { std::string *ptr = (std::string *)0;
7735     res2 = SWIG_AsPtr_std_string(s_arg2, &ptr); if (!SWIG_IsOK(res2)) {
7736       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueData_LookupType" "', argument " "2"" of type '" "std::string const &""'"); }
7737      if (!ptr) {
7738       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueData_LookupType" "', argument " "2"" of type '" "std::string const &""'"); }
7739      arg2 = ptr; }  res3 = SWIG_R_ConvertPtr(s_arg3, &argp3, SWIGTYPE_p_std__string,  0 ); if (!SWIG_IsOK(res3)) {
7740     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBResidueData_LookupType" "', argument " "3"" of type '" "std::string &""'");  }
7741    if (!argp3) {
7742     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueData_LookupType" "', argument " "3"" of type '" "std::string &""'"); }
7743    arg3 = reinterpret_cast< std::string * >(argp3); res4 = SWIG_R_ConvertPtr(s_arg4, &argp4, SWIGTYPE_p_int,  0 );
7744   if (!SWIG_IsOK(res4)) {
7745     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "OBResidueData_LookupType" "', argument " "4"" of type '" "int &""'");  }
7746    if (!argp4) {
7747     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueData_LookupType" "', argument " "4"" of type '" "int &""'"); }
7748    arg4 = reinterpret_cast< int * >(argp4); result = (bool)(arg1)->LookupType((std::string const &)*arg2,*arg3,*arg4);
7749   r_ans = Rf_ScalarLogical(result); if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax);
7750   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueData_AssignBonds(SEXP self,SEXP s_arg2,SEXP s_arg3,SEXP s_swig_copy)7751 SWIGEXPORT SEXP R_swig_OBResidueData_AssignBonds ( SEXP self, SEXP s_arg2, SEXP s_arg3, SEXP s_swig_copy) { bool result;
7752   OpenBabel::OBResidueData *arg1 = (OpenBabel::OBResidueData *) 0 ; OpenBabel::OBMol *arg2 = 0 ; OpenBabel::OBBitVec *arg3 = 0 ;
7753   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ;
7754   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7755   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7756     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueData_AssignBonds" "', argument " "1"" of type '" "OpenBabel::OBResidueData *""'");  }
7757    arg1 = reinterpret_cast< OpenBabel::OBResidueData * >(argp1);
7758   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
7759     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueData_AssignBonds" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
7760    if (!argp2) {
7761     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueData_AssignBonds" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
7762    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2);
7763   res3 = SWIG_R_ConvertPtr(s_arg3, &argp3, SWIGTYPE_p_OpenBabel__OBBitVec,  0 ); if (!SWIG_IsOK(res3)) {
7764     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBResidueData_AssignBonds" "', argument " "3"" of type '" "OpenBabel::OBBitVec &""'");  }
7765    if (!argp3) {
7766     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueData_AssignBonds" "', argument " "3"" of type '" "OpenBabel::OBBitVec &""'"); }
7767    arg3 = reinterpret_cast< OpenBabel::OBBitVec * >(argp3); result = (bool)(arg1)->AssignBonds(*arg2,*arg3);
7768   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBResidueData(SEXP self)7769 SWIGEXPORT SEXP R_swig_delete_OBResidueData ( SEXP self) { OpenBabel::OBResidueData *arg1 = (OpenBabel::OBResidueData *) 0 ;
7770   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7771   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueData, SWIG_POINTER_DISOWN |  0 );
7772   if (!SWIG_IsOK(res1)) {
7773     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBResidueData" "', argument " "1"" of type '" "OpenBabel::OBResidueData *""'");  }
7774    arg1 = reinterpret_cast< OpenBabel::OBResidueData * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
7775   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_DoubleType_hi_set(SEXP self,SEXP s_hi)7776 SWIGEXPORT SEXP R_swig_DoubleType_hi_set ( SEXP self, SEXP s_hi) { OpenBabel::DoubleType *arg1 = (OpenBabel::DoubleType *) 0 ;
7777   unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0;
7778   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7779   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__DoubleType, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7780     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "DoubleType_hi_set" "', argument " "1"" of type '" "OpenBabel::DoubleType *""'");  }
7781    arg1 = reinterpret_cast< OpenBabel::DoubleType * >(argp1); ecode2 = SWIG_AsVal_int(s_hi, &val2); if (!SWIG_IsOK(ecode2)) {
7782     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "DoubleType_hi_set" "', argument " "2"" of type '" "unsigned int""'"); }
7783     arg2 = static_cast< unsigned int >(val2); if (arg1) (arg1)->hi = arg2; r_ans = R_NilValue; vmaxset(r_vmax);
7784   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_DoubleType_hi_get(SEXP self,SEXP s_swig_copy)7785 SWIGEXPORT SEXP R_swig_DoubleType_hi_get ( SEXP self, SEXP s_swig_copy) { unsigned int result;
7786   OpenBabel::DoubleType *arg1 = (OpenBabel::DoubleType *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
7787   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7788   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__DoubleType, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7789     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "DoubleType_hi_get" "', argument " "1"" of type '" "OpenBabel::DoubleType *""'");  }
7790    arg1 = reinterpret_cast< OpenBabel::DoubleType * >(argp1); result = (unsigned int) ((arg1)->hi);
7791   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_DoubleType_lo_set(SEXP self,SEXP s_lo)7792 SWIGEXPORT SEXP R_swig_DoubleType_lo_set ( SEXP self, SEXP s_lo) { OpenBabel::DoubleType *arg1 = (OpenBabel::DoubleType *) 0 ;
7793   unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0;
7794   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7795   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__DoubleType, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7796     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "DoubleType_lo_set" "', argument " "1"" of type '" "OpenBabel::DoubleType *""'");  }
7797    arg1 = reinterpret_cast< OpenBabel::DoubleType * >(argp1); ecode2 = SWIG_AsVal_int(s_lo, &val2); if (!SWIG_IsOK(ecode2)) {
7798     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "DoubleType_lo_set" "', argument " "2"" of type '" "unsigned int""'"); }
7799     arg2 = static_cast< unsigned int >(val2); if (arg1) (arg1)->lo = arg2; r_ans = R_NilValue; vmaxset(r_vmax);
7800   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_DoubleType_lo_get(SEXP self,SEXP s_swig_copy)7801 SWIGEXPORT SEXP R_swig_DoubleType_lo_get ( SEXP self, SEXP s_swig_copy) { unsigned int result;
7802   OpenBabel::DoubleType *arg1 = (OpenBabel::DoubleType *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
7803   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7804   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__DoubleType, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7805     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "DoubleType_lo_get" "', argument " "1"" of type '" "OpenBabel::DoubleType *""'");  }
7806    arg1 = reinterpret_cast< OpenBabel::DoubleType * >(argp1); result = (unsigned int) ((arg1)->lo);
7807   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_DoubleType()7808 SWIGEXPORT SEXP R_swig_new_DoubleType ( ) { OpenBabel::DoubleType *result = 0 ; unsigned int r_nprotect = 0;
7809   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::DoubleType *)new OpenBabel::DoubleType();
7810   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__DoubleType, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
7811   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_DoubleType(SEXP self)7812 SWIGEXPORT SEXP R_swig_delete_DoubleType ( SEXP self) { OpenBabel::DoubleType *arg1 = (OpenBabel::DoubleType *) 0 ;
7813   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7814   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__DoubleType, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
7815     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_DoubleType" "', argument " "1"" of type '" "OpenBabel::DoubleType *""'");  }
7816    arg1 = reinterpret_cast< OpenBabel::DoubleType * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
7817   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_DoubleMultiply(SEXP s_arg1,SEXP s_arg2,SEXP s_arg3)7818 SWIGEXPORT SEXP R_swig_DoubleMultiply ( SEXP s_arg1, SEXP s_arg2, SEXP s_arg3) { unsigned int arg1 ; unsigned int arg2 ;
7819   OpenBabel::DoubleType *arg3 = (OpenBabel::DoubleType *) 0 ; int val1 ; int ecode1 = 0 ; int val2 ; int ecode2 = 0 ;
7820   void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7821   ecode1 = SWIG_AsVal_int(s_arg1, &val1); if (!SWIG_IsOK(ecode1)) {
7822     SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "DoubleMultiply" "', argument " "1"" of type '" "unsigned int""'"); }
7823     arg1 = static_cast< unsigned int >(val1); ecode2 = SWIG_AsVal_int(s_arg2, &val2); if (!SWIG_IsOK(ecode2)) {
7824     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "DoubleMultiply" "', argument " "2"" of type '" "unsigned int""'"); }
7825     arg2 = static_cast< unsigned int >(val2);
7826   res3 = SWIG_R_ConvertPtr(s_arg3, &argp3, SWIGTYPE_p_OpenBabel__DoubleType, 0 |  0 ); if (!SWIG_IsOK(res3)) {
7827     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "DoubleMultiply" "', argument " "3"" of type '" "OpenBabel::DoubleType *""'");  }
7828    arg3 = reinterpret_cast< OpenBabel::DoubleType * >(argp3); OpenBabel::DoubleMultiply(arg1,arg2,arg3); r_ans = R_NilValue;
7829   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_DoubleAdd(SEXP s_arg1,SEXP s_arg2)7830 SWIGEXPORT SEXP R_swig_DoubleAdd ( SEXP s_arg1, SEXP s_arg2) { OpenBabel::DoubleType *arg1 = (OpenBabel::DoubleType *) 0 ;
7831   unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0;
7832   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7833   res1 = SWIG_R_ConvertPtr(s_arg1, &argp1, SWIGTYPE_p_OpenBabel__DoubleType, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7834     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "DoubleAdd" "', argument " "1"" of type '" "OpenBabel::DoubleType *""'");  }
7835    arg1 = reinterpret_cast< OpenBabel::DoubleType * >(argp1); ecode2 = SWIG_AsVal_int(s_arg2, &val2); if (!SWIG_IsOK(ecode2)) {
7836     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "DoubleAdd" "', argument " "2"" of type '" "unsigned int""'"); }
7837   arg2 = static_cast< unsigned int >(val2); OpenBabel::DoubleAdd(arg1,arg2); r_ans = R_NilValue; vmaxset(r_vmax);
7838   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_DoubleModulus(SEXP s_arg1,SEXP s_arg2,SEXP s_swig_copy)7839 SWIGEXPORT SEXP R_swig_DoubleModulus ( SEXP s_arg1, SEXP s_arg2, SEXP s_swig_copy) { unsigned int result;
7840   OpenBabel::DoubleType *arg1 = (OpenBabel::DoubleType *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ;
7841   int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7842   res1 = SWIG_R_ConvertPtr(s_arg1, &argp1, SWIGTYPE_p_OpenBabel__DoubleType, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7843     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "DoubleModulus" "', argument " "1"" of type '" "OpenBabel::DoubleType *""'");  }
7844    arg1 = reinterpret_cast< OpenBabel::DoubleType * >(argp1); ecode2 = SWIG_AsVal_int(s_arg2, &val2); if (!SWIG_IsOK(ecode2)) {
7845     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "DoubleModulus" "', argument " "2"" of type '" "unsigned int""'"); }
7846     arg2 = static_cast< unsigned int >(val2); result = (unsigned int)OpenBabel::DoubleModulus(arg1,arg2);
7847   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBRandom__SWIG_0(SEXP useSys)7848 SWIGEXPORT SEXP R_swig_new_OBRandom__SWIG_0 ( SEXP useSys) { OpenBabel::OBRandom *result = 0 ; bool arg1 ;
7849   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; arg1 = LOGICAL(useSys)[0] ? true : false;
7850   result = (OpenBabel::OBRandom *)new OpenBabel::OBRandom(arg1);
7851   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBRandom, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
7852   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBRandom__SWIG_1()7853 SWIGEXPORT SEXP R_swig_new_OBRandom__SWIG_1 ( ) { OpenBabel::OBRandom *result = 0 ; unsigned int r_nprotect = 0;
7854   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBRandom *)new OpenBabel::OBRandom();
7855   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBRandom, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
7856   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRandom_Seed(SEXP self,SEXP seed)7857 SWIGEXPORT SEXP R_swig_OBRandom_Seed ( SEXP self, SEXP seed) { OpenBabel::OBRandom *arg1 = (OpenBabel::OBRandom *) 0 ;
7858   int arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
7859   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRandom, 0 |  0 );
7860   if (!SWIG_IsOK(res1)) {
7861     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRandom_Seed" "', argument " "1"" of type '" "OpenBabel::OBRandom *""'");  }
7862    arg1 = reinterpret_cast< OpenBabel::OBRandom * >(argp1); arg2 = static_cast< int >(INTEGER(seed)[0]); (arg1)->Seed(arg2);
7863   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRandom_TimeSeed(SEXP self)7864 SWIGEXPORT SEXP R_swig_OBRandom_TimeSeed ( SEXP self) { OpenBabel::OBRandom *arg1 = (OpenBabel::OBRandom *) 0 ;
7865   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7866   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRandom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7867     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRandom_TimeSeed" "', argument " "1"" of type '" "OpenBabel::OBRandom *""'");  }
7868    arg1 = reinterpret_cast< OpenBabel::OBRandom * >(argp1); (arg1)->TimeSeed(); r_ans = R_NilValue; vmaxset(r_vmax);
7869   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRandom_NextInt(SEXP self,SEXP s_swig_copy)7870 SWIGEXPORT SEXP R_swig_OBRandom_NextInt ( SEXP self, SEXP s_swig_copy) { int result;
7871   OpenBabel::OBRandom *arg1 = (OpenBabel::OBRandom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
7872   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7873   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRandom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7874     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRandom_NextInt" "', argument " "1"" of type '" "OpenBabel::OBRandom *""'");  }
7875    arg1 = reinterpret_cast< OpenBabel::OBRandom * >(argp1); result = (int)(arg1)->NextInt(); r_ans = Rf_ScalarInteger(result);
7876   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRandom_NextFloat(SEXP self,SEXP s_swig_copy)7877 SWIGEXPORT SEXP R_swig_OBRandom_NextFloat ( SEXP self, SEXP s_swig_copy) { double result;
7878   OpenBabel::OBRandom *arg1 = (OpenBabel::OBRandom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
7879   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7880   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRandom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7881     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRandom_NextFloat" "', argument " "1"" of type '" "OpenBabel::OBRandom *""'");  }
7882    arg1 = reinterpret_cast< OpenBabel::OBRandom * >(argp1); result = (double)(arg1)->NextFloat();
7883   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
7884   return r_ans; }
R_swig_delete_OBRandom(SEXP self)7885 SWIGEXPORT SEXP R_swig_delete_OBRandom ( SEXP self) { OpenBabel::OBRandom *arg1 = (OpenBabel::OBRandom *) 0 ; void *argp1 = 0 ;
7886   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7887   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRandom, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
7888     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBRandom" "', argument " "1"" of type '" "OpenBabel::OBRandom *""'");  }
7889    arg1 = reinterpret_cast< OpenBabel::OBRandom * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
7890   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBStopwatch_Start(SEXP self)7891 SWIGEXPORT SEXP R_swig_OBStopwatch_Start ( SEXP self) { OpenBabel::OBStopwatch *arg1 = (OpenBabel::OBStopwatch *) 0 ;
7892   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7893   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBStopwatch, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7894     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBStopwatch_Start" "', argument " "1"" of type '" "OpenBabel::OBStopwatch *""'");  }
7895    arg1 = reinterpret_cast< OpenBabel::OBStopwatch * >(argp1); (arg1)->Start(); r_ans = R_NilValue; vmaxset(r_vmax);
7896   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBStopwatch_Lap(SEXP self,SEXP s_swig_copy)7897 SWIGEXPORT SEXP R_swig_OBStopwatch_Lap ( SEXP self, SEXP s_swig_copy) { double result;
7898   OpenBabel::OBStopwatch *arg1 = (OpenBabel::OBStopwatch *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
7899   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7900   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBStopwatch, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7901     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBStopwatch_Lap" "', argument " "1"" of type '" "OpenBabel::OBStopwatch *""'");  }
7902    arg1 = reinterpret_cast< OpenBabel::OBStopwatch * >(argp1); result = (double)(arg1)->Lap();
7903   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
7904   return r_ans; }
R_swig_OBStopwatch_Elapsed(SEXP self,SEXP s_swig_copy)7905 SWIGEXPORT SEXP R_swig_OBStopwatch_Elapsed ( SEXP self, SEXP s_swig_copy) { double result;
7906   OpenBabel::OBStopwatch *arg1 = (OpenBabel::OBStopwatch *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
7907   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7908   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBStopwatch, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7909     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBStopwatch_Elapsed" "', argument " "1"" of type '" "OpenBabel::OBStopwatch *""'");  }
7910    arg1 = reinterpret_cast< OpenBabel::OBStopwatch * >(argp1); result = (double)(arg1)->Elapsed();
7911   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
7912   return r_ans; }
R_swig_new_OBStopwatch()7913 SWIGEXPORT SEXP R_swig_new_OBStopwatch ( ) { OpenBabel::OBStopwatch *result = 0 ; unsigned int r_nprotect = 0;
7914   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBStopwatch *)new OpenBabel::OBStopwatch();
7915   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBStopwatch, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
7916   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBStopwatch(SEXP self)7917 SWIGEXPORT SEXP R_swig_delete_OBStopwatch ( SEXP self) { OpenBabel::OBStopwatch *arg1 = (OpenBabel::OBStopwatch *) 0 ;
7918   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7919   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBStopwatch, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
7920     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBStopwatch" "', argument " "1"" of type '" "OpenBabel::OBStopwatch *""'");  }
7921    arg1 = reinterpret_cast< OpenBabel::OBStopwatch * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
7922   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_new_OBSqrtTbl__SWIG_0()7923 SWIGEXPORT SEXP R_swig_new_OBSqrtTbl__SWIG_0 ( ) { OpenBabel::OBSqrtTbl *result = 0 ; unsigned int r_nprotect = 0;
7924   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBSqrtTbl *)new OpenBabel::OBSqrtTbl();
7925   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBSqrtTbl, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
7926   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBSqrtTbl__SWIG_1(SEXP max,SEXP incr)7927 SWIGEXPORT SEXP R_swig_new_OBSqrtTbl__SWIG_1 ( SEXP max, SEXP incr) { OpenBabel::OBSqrtTbl *result = 0 ; double arg1 ;
7928   double arg2 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7929   arg1 = static_cast< double >(REAL(max)[0]); arg2 = static_cast< double >(REAL(incr)[0]);
7930   result = (OpenBabel::OBSqrtTbl *)new OpenBabel::OBSqrtTbl(arg1,arg2);
7931   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBSqrtTbl, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
7932   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBSqrtTbl(SEXP self)7933 SWIGEXPORT SEXP R_swig_delete_OBSqrtTbl ( SEXP self) { OpenBabel::OBSqrtTbl *arg1 = (OpenBabel::OBSqrtTbl *) 0 ;
7934   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7935   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSqrtTbl, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
7936     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBSqrtTbl" "', argument " "1"" of type '" "OpenBabel::OBSqrtTbl *""'");  }
7937    arg1 = reinterpret_cast< OpenBabel::OBSqrtTbl * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
7938   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBSqrtTbl_Sqrt(SEXP self,SEXP d2,SEXP s_swig_copy)7939 SWIGEXPORT SEXP R_swig_OBSqrtTbl_Sqrt ( SEXP self, SEXP d2, SEXP s_swig_copy) { double result;
7940   OpenBabel::OBSqrtTbl *arg1 = (OpenBabel::OBSqrtTbl *) 0 ; double arg2 ; void *argp1 = 0 ; int res1 = 0 ;
7941   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7942   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSqrtTbl, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7943     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSqrtTbl_Sqrt" "', argument " "1"" of type '" "OpenBabel::OBSqrtTbl const *""'");  }
7944    arg1 = reinterpret_cast< OpenBabel::OBSqrtTbl * >(argp1); arg2 = static_cast< double >(REAL(d2)[0]);
7945   result = (double)((OpenBabel::OBSqrtTbl const *)arg1)->Sqrt(arg2); r_ans = SWIG_From_double(static_cast< double >(result));
7946   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSqrtTbl_Init(SEXP self,SEXP max,SEXP incr)7947 SWIGEXPORT SEXP R_swig_OBSqrtTbl_Init ( SEXP self, SEXP max, SEXP incr) {
7948   OpenBabel::OBSqrtTbl *arg1 = (OpenBabel::OBSqrtTbl *) 0 ; double arg2 ; double arg3 ; void *argp1 = 0 ; int res1 = 0 ;
7949   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7950   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSqrtTbl, 0 |  0 ); if (!SWIG_IsOK(res1)) {
7951     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSqrtTbl_Init" "', argument " "1"" of type '" "OpenBabel::OBSqrtTbl *""'");  }
7952    arg1 = reinterpret_cast< OpenBabel::OBSqrtTbl * >(argp1); arg2 = static_cast< double >(REAL(max)[0]);
7953   arg3 = static_cast< double >(REAL(incr)[0]); (arg1)->Init(arg2,arg3); r_ans = R_NilValue; vmaxset(r_vmax);
7954   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_rotate_coords(SEXP s_arg1,SEXP m,SEXP s_arg3)7955 SWIGEXPORT SEXP R_swig_rotate_coords ( SEXP s_arg1, SEXP m, SEXP s_arg3) { double *arg1 = (double *) 0 ; double (*arg2)[3] ;
7956   unsigned int arg3 ; void *argp2 = 0 ; int res2 = 0 ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0;
7957   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; { { int _rswigi; int _rswiglen = LENGTH(s_arg1);
7958       arg1 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
7959         arg1[_rswigi] = REAL(s_arg1)[_rswigi]; }  }  }  res2 = SWIG_R_ConvertPtr(m, &argp2, SWIGTYPE_p_a_3__double, 0 |  0 );
7960   if (!SWIG_IsOK(res2)) {
7961     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "rotate_coords" "', argument " "2"" of type '" "double [3][3]""'");  }
7962     arg2 = reinterpret_cast< double (*)[3] >(argp2); ecode3 = SWIG_AsVal_int(s_arg3, &val3); if (!SWIG_IsOK(ecode3)) {
7963     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "rotate_coords" "', argument " "3"" of type '" "unsigned int""'"); }
7964     arg3 = static_cast< unsigned int >(val3); OpenBabel::rotate_coords(arg1,(double (*)[3])arg2,arg3); r_ans = R_NilValue;
7965   free(arg1); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_calc_rms(SEXP s_arg1,SEXP s_arg2,SEXP s_arg3,SEXP s_swig_copy)7966 SWIGEXPORT SEXP R_swig_calc_rms ( SEXP s_arg1, SEXP s_arg2, SEXP s_arg3, SEXP s_swig_copy) { double result;
7967   double *arg1 = (double *) 0 ; double *arg2 = (double *) 0 ; unsigned int arg3 ; int val3 ; int ecode3 = 0 ;
7968   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; { { int _rswigi;
7969       int _rswiglen = LENGTH(s_arg1); arg1 = static_cast< double * >(calloc(sizeof(double), _rswiglen));
7970       for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg1[_rswigi] = REAL(s_arg1)[_rswigi]; }  }  }  { { int _rswigi;
7971       int _rswiglen = LENGTH(s_arg2); arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen));
7972       for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg2[_rswigi] = REAL(s_arg2)[_rswigi]; }  }  }
7973   ecode3 = SWIG_AsVal_int(s_arg3, &val3); if (!SWIG_IsOK(ecode3)) {
7974     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "calc_rms" "', argument " "3"" of type '" "unsigned int""'"); }
7975   arg3 = static_cast< unsigned int >(val3); result = (double)OpenBabel::calc_rms(arg1,arg2,arg3);
7976   r_ans = SWIG_From_double(static_cast< double >(result)); free(arg1); free(arg2); vmaxset(r_vmax);
7977   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vector3__SWIG_0(SEXP inX,SEXP inY,SEXP inZ)7978 SWIGEXPORT SEXP R_swig_new_vector3__SWIG_0 ( SEXP inX, SEXP inY, SEXP inZ) { OpenBabel::vector3 *result = 0 ; double arg1 ;
7979   double arg2 ; double arg3 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7980   arg1 = static_cast< double >(REAL(inX)[0]); arg2 = static_cast< double >(REAL(inY)[0]);
7981   arg3 = static_cast< double >(REAL(inZ)[0]); result = (OpenBabel::vector3 *)new OpenBabel::vector3(arg1,arg2,arg3);
7982   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__vector3, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
7983   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vector3__SWIG_1(SEXP inX,SEXP inY)7984 SWIGEXPORT SEXP R_swig_new_vector3__SWIG_1 ( SEXP inX, SEXP inY) { OpenBabel::vector3 *result = 0 ; double arg1 ; double arg2 ;
7985   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7986   arg1 = static_cast< double >(REAL(inX)[0]); arg2 = static_cast< double >(REAL(inY)[0]);
7987   result = (OpenBabel::vector3 *)new OpenBabel::vector3(arg1,arg2);
7988   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__vector3, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
7989   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vector3__SWIG_2(SEXP inX)7990 SWIGEXPORT SEXP R_swig_new_vector3__SWIG_2 ( SEXP inX) { OpenBabel::vector3 *result = 0 ; double arg1 ;
7991   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
7992   arg1 = static_cast< double >(REAL(inX)[0]); result = (OpenBabel::vector3 *)new OpenBabel::vector3(arg1);
7993   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__vector3, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
7994   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vector3__SWIG_3()7995 SWIGEXPORT SEXP R_swig_new_vector3__SWIG_3 ( ) { OpenBabel::vector3 *result = 0 ; unsigned int r_nprotect = 0;
7996   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::vector3 *)new OpenBabel::vector3();
7997   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__vector3, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
7998   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vector3__SWIG_4(SEXP inV)7999 SWIGEXPORT SEXP R_swig_new_vector3__SWIG_4 ( SEXP inV) { OpenBabel::vector3 *result = 0 ; double *arg1 ;
8000   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; { { int _rswigi;
8001       int _rswiglen = LENGTH(inV); arg1 = static_cast< double * >(calloc(sizeof(double), _rswiglen));
8002       for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg1[_rswigi] = REAL(inV)[_rswigi]; }  }  }
8003   result = (OpenBabel::vector3 *)new OpenBabel::vector3(arg1);
8004   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__vector3, R_SWIG_OWNER |  0 ); free(arg1);
8005   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_vector3__SWIG_5(SEXP v)8006 SWIGEXPORT SEXP R_swig_new_vector3__SWIG_5 ( SEXP v) { OpenBabel::vector3 *result = 0 ; OpenBabel::vector3 *arg1 = 0 ;
8007   void *argp1 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8008   res1 = SWIG_R_ConvertPtr(v, &argp1, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res1)) {
8009     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_vector3" "', argument " "1"" of type '" "OpenBabel::vector3 const &""'");  }
8010    if (!argp1) {
8011     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_vector3" "', argument " "1"" of type '" "OpenBabel::vector3 const &""'"); }
8012    arg1 = reinterpret_cast< OpenBabel::vector3 * >(argp1);
8013   result = (OpenBabel::vector3 *)new OpenBabel::vector3((OpenBabel::vector3 const &)*arg1);
8014   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__vector3, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
8015   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_vector3(SEXP self)8016 SWIGEXPORT SEXP R_swig_delete_vector3 ( SEXP self) { OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ; void *argp1 = 0 ;
8017   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8018   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
8019     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_vector3" "', argument " "1"" of type '" "OpenBabel::vector3 *""'");  }
8020    arg1 = reinterpret_cast< OpenBabel::vector3 * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
8021   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_vector3_Set__SWIG_0(SEXP self,SEXP inX,SEXP inY,SEXP inZ)8022 SWIGEXPORT SEXP R_swig_vector3_Set__SWIG_0 ( SEXP self, SEXP inX, SEXP inY, SEXP inZ) {
8023   OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ; double arg2 ; double arg3 ; double arg4 ; void *argp1 = 0 ;
8024   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8025   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__vector3, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8026     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vector3_Set" "', argument " "1"" of type '" "OpenBabel::vector3 *""'");  }
8027    arg1 = reinterpret_cast< OpenBabel::vector3 * >(argp1); arg2 = static_cast< double >(REAL(inX)[0]);
8028   arg3 = static_cast< double >(REAL(inY)[0]); arg4 = static_cast< double >(REAL(inZ)[0]); (arg1)->Set(arg2,arg3,arg4);
8029   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vector3_Set__SWIG_1(SEXP self,SEXP c)8030 SWIGEXPORT SEXP R_swig_vector3_Set__SWIG_1 ( SEXP self, SEXP c) { OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ;
8031   double *arg2 = (double *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
8032   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
8033   if (!SWIG_IsOK(res1)) {
8034     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vector3_Set" "', argument " "1"" of type '" "OpenBabel::vector3 *""'");  }
8035    arg1 = reinterpret_cast< OpenBabel::vector3 * >(argp1); { { int _rswigi; int _rswiglen = LENGTH(c);
8036       arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
8037         arg2[_rswigi] = REAL(c)[_rswigi]; }  }  }  (arg1)->Set((double const *)arg2); r_ans = R_NilValue; free(arg2);
8038   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vector3_SetX(SEXP self,SEXP inX)8039 SWIGEXPORT SEXP R_swig_vector3_SetX ( SEXP self, SEXP inX) { OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ; double arg2 ;
8040   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8041   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__vector3, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8042     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vector3_SetX" "', argument " "1"" of type '" "OpenBabel::vector3 *""'");  }
8043    arg1 = reinterpret_cast< OpenBabel::vector3 * >(argp1); arg2 = static_cast< double >(REAL(inX)[0]); (arg1)->SetX(arg2);
8044   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vector3_SetY(SEXP self,SEXP inY)8045 SWIGEXPORT SEXP R_swig_vector3_SetY ( SEXP self, SEXP inY) { OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ; double arg2 ;
8046   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8047   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__vector3, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8048     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vector3_SetY" "', argument " "1"" of type '" "OpenBabel::vector3 *""'");  }
8049    arg1 = reinterpret_cast< OpenBabel::vector3 * >(argp1); arg2 = static_cast< double >(REAL(inY)[0]); (arg1)->SetY(arg2);
8050   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vector3_SetZ(SEXP self,SEXP inZ)8051 SWIGEXPORT SEXP R_swig_vector3_SetZ ( SEXP self, SEXP inZ) { OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ; double arg2 ;
8052   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8053   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__vector3, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8054     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vector3_SetZ" "', argument " "1"" of type '" "OpenBabel::vector3 *""'");  }
8055    arg1 = reinterpret_cast< OpenBabel::vector3 * >(argp1); arg2 = static_cast< double >(REAL(inZ)[0]); (arg1)->SetZ(arg2);
8056   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vector3_GetX(SEXP self,SEXP s_swig_copy)8057 SWIGEXPORT SEXP R_swig_vector3_GetX ( SEXP self, SEXP s_swig_copy) { double result;
8058   OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
8059   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8060   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__vector3, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8061     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vector3_GetX" "', argument " "1"" of type '" "OpenBabel::vector3 const *""'");  }
8062    arg1 = reinterpret_cast< OpenBabel::vector3 * >(argp1); result = (double)((OpenBabel::vector3 const *)arg1)->GetX();
8063   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
8064   return r_ans; }
R_swig_vector3_GetY(SEXP self,SEXP s_swig_copy)8065 SWIGEXPORT SEXP R_swig_vector3_GetY ( SEXP self, SEXP s_swig_copy) { double result;
8066   OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
8067   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8068   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__vector3, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8069     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vector3_GetY" "', argument " "1"" of type '" "OpenBabel::vector3 const *""'");  }
8070    arg1 = reinterpret_cast< OpenBabel::vector3 * >(argp1); result = (double)((OpenBabel::vector3 const *)arg1)->GetY();
8071   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
8072   return r_ans; }
R_swig_vector3_GetZ(SEXP self,SEXP s_swig_copy)8073 SWIGEXPORT SEXP R_swig_vector3_GetZ ( SEXP self, SEXP s_swig_copy) { double result;
8074   OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
8075   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8076   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__vector3, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8077     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vector3_GetZ" "', argument " "1"" of type '" "OpenBabel::vector3 const *""'");  }
8078    arg1 = reinterpret_cast< OpenBabel::vector3 * >(argp1); result = (double)((OpenBabel::vector3 const *)arg1)->GetZ();
8079   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
8080   return r_ans; }
R_swig_vector3_Get(SEXP self,SEXP c)8081 SWIGEXPORT SEXP R_swig_vector3_Get ( SEXP self, SEXP c) { OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ;
8082   double *arg2 = (double *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
8083   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
8084   if (!SWIG_IsOK(res1)) {
8085     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vector3_Get" "', argument " "1"" of type '" "OpenBabel::vector3 *""'");  }
8086    arg1 = reinterpret_cast< OpenBabel::vector3 * >(argp1); { { int _rswigi; int _rswiglen = LENGTH(c);
8087       arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
8088         arg2[_rswigi] = REAL(c)[_rswigi]; }  }  }  (arg1)->Get(arg2); r_ans = R_NilValue; free(arg2); vmaxset(r_vmax);
8089   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vector3_AsArray(SEXP self)8090 SWIGEXPORT SEXP R_swig_vector3_AsArray ( SEXP self) { double *result = 0 ; OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ;
8091   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8092   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__vector3, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8093     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vector3_AsArray" "', argument " "1"" of type '" "OpenBabel::vector3 const *""'");  }
8094    arg1 = reinterpret_cast< OpenBabel::vector3 * >(argp1); result = (double *)((OpenBabel::vector3 const *)arg1)->AsArray();
8095   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_double, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
8096   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vector3_randomUnitVector__SWIG_0(SEXP self,SEXP oeRand)8097 SWIGEXPORT SEXP R_swig_vector3_randomUnitVector__SWIG_0 ( SEXP self, SEXP oeRand) {
8098   OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ; OpenBabel::OBRandom *arg2 = (OpenBabel::OBRandom *) 0 ;
8099   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
8100   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
8101   if (!SWIG_IsOK(res1)) {
8102     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vector3_randomUnitVector" "', argument " "1"" of type '" "OpenBabel::vector3 *""'");  }
8103    arg1 = reinterpret_cast< OpenBabel::vector3 * >(argp1);
8104   res2 = SWIG_R_ConvertPtr(oeRand, &argp2, SWIGTYPE_p_OpenBabel__OBRandom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
8105     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "vector3_randomUnitVector" "', argument " "2"" of type '" "OpenBabel::OBRandom *""'");  }
8106    arg2 = reinterpret_cast< OpenBabel::OBRandom * >(argp2); (arg1)->randomUnitVector(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
8107   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vector3_randomUnitVector__SWIG_1(SEXP self)8108 SWIGEXPORT SEXP R_swig_vector3_randomUnitVector__SWIG_1 ( SEXP self) { OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ;
8109   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8110   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__vector3, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8111     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vector3_randomUnitVector" "', argument " "1"" of type '" "OpenBabel::vector3 *""'");  }
8112    arg1 = reinterpret_cast< OpenBabel::vector3 * >(argp1); (arg1)->randomUnitVector(); r_ans = R_NilValue; vmaxset(r_vmax);
8113   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vector3_normalize(SEXP self,SEXP s_swig_copy)8114 SWIGEXPORT SEXP R_swig_vector3_normalize ( SEXP self, SEXP s_swig_copy) { OpenBabel::vector3 *result = 0 ;
8115   OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
8116   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8117   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__vector3, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8118     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vector3_normalize" "', argument " "1"" of type '" "OpenBabel::vector3 *""'");  }
8119    arg1 = reinterpret_cast< OpenBabel::vector3 * >(argp1); result = (OpenBabel::vector3 *) &(arg1)->normalize();
8120   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__vector3, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
8121   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vector3_CanBeNormalized(SEXP self,SEXP s_swig_copy)8122 SWIGEXPORT SEXP R_swig_vector3_CanBeNormalized ( SEXP self, SEXP s_swig_copy) { bool result;
8123   OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
8124   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8125   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__vector3, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8126     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vector3_CanBeNormalized" "', argument " "1"" of type '" "OpenBabel::vector3 const *""'");  }
8127    arg1 = reinterpret_cast< OpenBabel::vector3 * >(argp1); result = (bool)((OpenBabel::vector3 const *)arg1)->CanBeNormalized();
8128   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vector3_length_2(SEXP self,SEXP s_swig_copy)8129 SWIGEXPORT SEXP R_swig_vector3_length_2 ( SEXP self, SEXP s_swig_copy) { double result;
8130   OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
8131   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8132   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__vector3, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8133     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vector3_length_2" "', argument " "1"" of type '" "OpenBabel::vector3 const *""'");  }
8134    arg1 = reinterpret_cast< OpenBabel::vector3 * >(argp1); result = (double)((OpenBabel::vector3 const *)arg1)->length_2();
8135   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
8136   return r_ans; }
R_swig_vector3_length(SEXP self,SEXP s_swig_copy)8137 SWIGEXPORT SEXP R_swig_vector3_length ( SEXP self, SEXP s_swig_copy) { double result;
8138   OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
8139   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8140   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__vector3, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8141     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vector3_length" "', argument " "1"" of type '" "OpenBabel::vector3 const *""'");  }
8142    arg1 = reinterpret_cast< OpenBabel::vector3 * >(argp1); result = (double)((OpenBabel::vector3 const *)arg1)->length();
8143   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
8144   return r_ans; }
R_swig_vector3_x__SWIG_0(SEXP self,SEXP s_swig_copy)8145 SWIGEXPORT SEXP R_swig_vector3_x__SWIG_0 ( SEXP self, SEXP s_swig_copy) { double *result = 0 ;
8146   OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
8147   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8148   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__vector3, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8149     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vector3_x" "', argument " "1"" of type '" "OpenBabel::vector3 const *""'");  }
8150    arg1 = reinterpret_cast< OpenBabel::vector3 * >(argp1); result = (double *) &((OpenBabel::vector3 const *)arg1)->x();
8151   r_ans = SWIG_From_double(static_cast< double >(*result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
8152   return r_ans; }
R_swig_vector3_y__SWIG_0(SEXP self,SEXP s_swig_copy)8153 SWIGEXPORT SEXP R_swig_vector3_y__SWIG_0 ( SEXP self, SEXP s_swig_copy) { double *result = 0 ;
8154   OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
8155   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8156   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__vector3, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8157     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vector3_y" "', argument " "1"" of type '" "OpenBabel::vector3 const *""'");  }
8158    arg1 = reinterpret_cast< OpenBabel::vector3 * >(argp1); result = (double *) &((OpenBabel::vector3 const *)arg1)->y();
8159   r_ans = SWIG_From_double(static_cast< double >(*result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
8160   return r_ans; }
R_swig_vector3_z__SWIG_0(SEXP self,SEXP s_swig_copy)8161 SWIGEXPORT SEXP R_swig_vector3_z__SWIG_0 ( SEXP self, SEXP s_swig_copy) { double *result = 0 ;
8162   OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
8163   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8164   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__vector3, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8165     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vector3_z" "', argument " "1"" of type '" "OpenBabel::vector3 const *""'");  }
8166    arg1 = reinterpret_cast< OpenBabel::vector3 * >(argp1); result = (double *) &((OpenBabel::vector3 const *)arg1)->z();
8167   r_ans = SWIG_From_double(static_cast< double >(*result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
8168   return r_ans; }
R_swig_vector3_x__SWIG_1(SEXP self,SEXP s_swig_copy)8169 SWIGEXPORT SEXP R_swig_vector3_x__SWIG_1 ( SEXP self, SEXP s_swig_copy) { double *result = 0 ;
8170   OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
8171   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8172   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__vector3, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8173     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vector3_x" "', argument " "1"" of type '" "OpenBabel::vector3 *""'");  }
8174    arg1 = reinterpret_cast< OpenBabel::vector3 * >(argp1); result = (double *) &(arg1)->x();
8175   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_double, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
8176   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vector3_y__SWIG_1(SEXP self,SEXP s_swig_copy)8177 SWIGEXPORT SEXP R_swig_vector3_y__SWIG_1 ( SEXP self, SEXP s_swig_copy) { double *result = 0 ;
8178   OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
8179   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8180   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__vector3, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8181     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vector3_y" "', argument " "1"" of type '" "OpenBabel::vector3 *""'");  }
8182    arg1 = reinterpret_cast< OpenBabel::vector3 * >(argp1); result = (double *) &(arg1)->y();
8183   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_double, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
8184   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vector3_z__SWIG_1(SEXP self,SEXP s_swig_copy)8185 SWIGEXPORT SEXP R_swig_vector3_z__SWIG_1 ( SEXP self, SEXP s_swig_copy) { double *result = 0 ;
8186   OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
8187   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8188   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__vector3, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8189     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vector3_z" "', argument " "1"" of type '" "OpenBabel::vector3 *""'");  }
8190    arg1 = reinterpret_cast< OpenBabel::vector3 * >(argp1); result = (double *) &(arg1)->z();
8191   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_double, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
8192   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vector3_IsApprox(SEXP self,SEXP other,SEXP precision,SEXP s_swig_copy)8193 SWIGEXPORT SEXP R_swig_vector3_IsApprox ( SEXP self, SEXP other, SEXP precision, SEXP s_swig_copy) { bool result;
8194   OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ; OpenBabel::vector3 *arg2 = 0 ; double *arg3 = 0 ; void *argp1 = 0 ;
8195   int res1 = 0 ; void *argp2 ; int res2 = 0 ; double temp3 ; double val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0;
8196   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8197   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__vector3, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8198     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vector3_IsApprox" "', argument " "1"" of type '" "OpenBabel::vector3 const *""'");  }
8199    arg1 = reinterpret_cast< OpenBabel::vector3 * >(argp1);
8200   res2 = SWIG_R_ConvertPtr(other, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
8201     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "vector3_IsApprox" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'");  }
8202    if (!argp2) {
8203     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "vector3_IsApprox" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'"); }
8204    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2); ecode3 = SWIG_AsVal_double(precision, &val3);
8205   if (!SWIG_IsOK(ecode3)) {
8206     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "vector3_IsApprox" "', argument " "3"" of type '" "double""'"); }
8207   temp3 = static_cast< double >(val3); arg3 = &temp3;
8208   result = (bool)((OpenBabel::vector3 const *)arg1)->IsApprox((OpenBabel::vector3 const &)*arg2,(double const &)*arg3);
8209   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vector3_distSq(SEXP self,SEXP vv,SEXP s_swig_copy)8210 SWIGEXPORT SEXP R_swig_vector3_distSq ( SEXP self, SEXP vv, SEXP s_swig_copy) { double result;
8211   OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ; OpenBabel::vector3 *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
8212   void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8213   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__vector3, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8214     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vector3_distSq" "', argument " "1"" of type '" "OpenBabel::vector3 const *""'");  }
8215    arg1 = reinterpret_cast< OpenBabel::vector3 * >(argp1);
8216   res2 = SWIG_R_ConvertPtr(vv, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
8217     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "vector3_distSq" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'");  }
8218    if (!argp2) {
8219     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "vector3_distSq" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'"); }
8220    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2);
8221   result = (double)((OpenBabel::vector3 const *)arg1)->distSq((OpenBabel::vector3 const &)*arg2);
8222   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
8223   return r_ans; }
R_swig_vector3_createOrthoVector(SEXP self,SEXP v,SEXP s_swig_copy)8224 SWIGEXPORT SEXP R_swig_vector3_createOrthoVector ( SEXP self, SEXP v, SEXP s_swig_copy) { bool result;
8225   OpenBabel::vector3 *arg1 = (OpenBabel::vector3 *) 0 ; OpenBabel::vector3 *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
8226   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8227   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__vector3, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8228     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vector3_createOrthoVector" "', argument " "1"" of type '" "OpenBabel::vector3 const *""'");  }
8229    arg1 = reinterpret_cast< OpenBabel::vector3 * >(argp1);
8230   res2 = SWIG_R_ConvertPtr(v, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
8231     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "vector3_createOrthoVector" "', argument " "2"" of type '" "OpenBabel::vector3 &""'");  }
8232    if (!argp2) {
8233     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "vector3_createOrthoVector" "', argument " "2"" of type '" "OpenBabel::vector3 &""'"); }
8234    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2);
8235   result = (bool)((OpenBabel::vector3 const *)arg1)->createOrthoVector(*arg2); r_ans = Rf_ScalarLogical(result);
8236   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_dot(SEXP v1,SEXP v2,SEXP s_swig_copy)8237 SWIGEXPORT SEXP R_swig_dot ( SEXP v1, SEXP v2, SEXP s_swig_copy) { double result; OpenBabel::vector3 *arg1 = 0 ;
8238   OpenBabel::vector3 *arg2 = 0 ; void *argp1 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0;
8239   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8240   res1 = SWIG_R_ConvertPtr(v1, &argp1, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res1)) {
8241     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "dot" "', argument " "1"" of type '" "OpenBabel::vector3 const &""'");  }
8242    if (!argp1) {
8243     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "dot" "', argument " "1"" of type '" "OpenBabel::vector3 const &""'"); }
8244    arg1 = reinterpret_cast< OpenBabel::vector3 * >(argp1);
8245   res2 = SWIG_R_ConvertPtr(v2, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
8246     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "dot" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'");  }
8247    if (!argp2) {
8248     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "dot" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'"); }
8249    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2);
8250   result = (double)OpenBabel::dot((OpenBabel::vector3 const &)*arg1,(OpenBabel::vector3 const &)*arg2);
8251   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
8252   return r_ans; }
R_swig_cross(SEXP s_arg1,SEXP s_arg2,SEXP s_swig_copy)8253 SWIGEXPORT SEXP R_swig_cross ( SEXP s_arg1, SEXP s_arg2, SEXP s_swig_copy) { OpenBabel::vector3 result;
8254   OpenBabel::vector3 *arg1 = 0 ; OpenBabel::vector3 *arg2 = 0 ; void *argp1 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ;
8255   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8256   res1 = SWIG_R_ConvertPtr(s_arg1, &argp1, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res1)) {
8257     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "cross" "', argument " "1"" of type '" "OpenBabel::vector3 const &""'");  }
8258    if (!argp1) {
8259     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "cross" "', argument " "1"" of type '" "OpenBabel::vector3 const &""'"); }
8260    arg1 = reinterpret_cast< OpenBabel::vector3 * >(argp1);
8261   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
8262     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "cross" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'");  }
8263    if (!argp2) {
8264     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "cross" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'"); }
8265    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2);
8266   result = OpenBabel::cross((OpenBabel::vector3 const &)*arg1,(OpenBabel::vector3 const &)*arg2);
8267   r_ans = SWIG_R_NewPointerObj((new OpenBabel::vector3(static_cast< const OpenBabel::vector3& >(result))), SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_OWN |  0 );
8268   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_vectorAngle(SEXP v1,SEXP v2,SEXP s_swig_copy)8269 SWIGEXPORT SEXP R_swig_vectorAngle ( SEXP v1, SEXP v2, SEXP s_swig_copy) { double result; OpenBabel::vector3 *arg1 = 0 ;
8270   OpenBabel::vector3 *arg2 = 0 ; void *argp1 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0;
8271   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8272   res1 = SWIG_R_ConvertPtr(v1, &argp1, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res1)) {
8273     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "vectorAngle" "', argument " "1"" of type '" "OpenBabel::vector3 const &""'");  }
8274    if (!argp1) {
8275     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "vectorAngle" "', argument " "1"" of type '" "OpenBabel::vector3 const &""'"); }
8276    arg1 = reinterpret_cast< OpenBabel::vector3 * >(argp1);
8277   res2 = SWIG_R_ConvertPtr(v2, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
8278     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "vectorAngle" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'");  }
8279    if (!argp2) {
8280     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "vectorAngle" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'"); }
8281    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2);
8282   result = (double)OpenBabel::vectorAngle((OpenBabel::vector3 const &)*arg1,(OpenBabel::vector3 const &)*arg2);
8283   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
8284   return r_ans; }
R_swig_CalcTorsionAngle(SEXP a,SEXP b,SEXP c,SEXP d,SEXP s_swig_copy)8285 SWIGEXPORT SEXP R_swig_CalcTorsionAngle ( SEXP a, SEXP b, SEXP c, SEXP d, SEXP s_swig_copy) { double result;
8286   OpenBabel::vector3 *arg1 = 0 ; OpenBabel::vector3 *arg2 = 0 ; OpenBabel::vector3 *arg3 = 0 ; OpenBabel::vector3 *arg4 = 0 ;
8287   void *argp1 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ; void *argp3 ; int res3 = 0 ; void *argp4 ; int res4 = 0 ;
8288   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8289   res1 = SWIG_R_ConvertPtr(a, &argp1, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res1)) {
8290     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "CalcTorsionAngle" "', argument " "1"" of type '" "OpenBabel::vector3 const &""'");  }
8291    if (!argp1) {
8292     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "CalcTorsionAngle" "', argument " "1"" of type '" "OpenBabel::vector3 const &""'"); }
8293    arg1 = reinterpret_cast< OpenBabel::vector3 * >(argp1);
8294   res2 = SWIG_R_ConvertPtr(b, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
8295     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "CalcTorsionAngle" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'");  }
8296    if (!argp2) {
8297     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "CalcTorsionAngle" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'"); }
8298    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2);
8299   res3 = SWIG_R_ConvertPtr(c, &argp3, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res3)) {
8300     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "CalcTorsionAngle" "', argument " "3"" of type '" "OpenBabel::vector3 const &""'");  }
8301    if (!argp3) {
8302     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "CalcTorsionAngle" "', argument " "3"" of type '" "OpenBabel::vector3 const &""'"); }
8303    arg3 = reinterpret_cast< OpenBabel::vector3 * >(argp3);
8304   res4 = SWIG_R_ConvertPtr(d, &argp4, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res4)) {
8305     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "CalcTorsionAngle" "', argument " "4"" of type '" "OpenBabel::vector3 const &""'");  }
8306    if (!argp4) {
8307     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "CalcTorsionAngle" "', argument " "4"" of type '" "OpenBabel::vector3 const &""'"); }
8308    arg4 = reinterpret_cast< OpenBabel::vector3 * >(argp4);
8309   result = (double)OpenBabel::CalcTorsionAngle((OpenBabel::vector3 const &)*arg1,(OpenBabel::vector3 const &)*arg2,(OpenBabel::vector3 const &)*arg3,(OpenBabel::vector3 const &)*arg4);
8310   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
8311   return r_ans; }
R_swig_Point2PlaneSigned(SEXP a,SEXP b,SEXP c,SEXP d,SEXP s_swig_copy)8312 SWIGEXPORT SEXP R_swig_Point2PlaneSigned ( SEXP a, SEXP b, SEXP c, SEXP d, SEXP s_swig_copy) { double result;
8313   OpenBabel::vector3 arg1 ; OpenBabel::vector3 arg2 ; OpenBabel::vector3 arg3 ; OpenBabel::vector3 arg4 ; void *argp1 ;
8314   int res1 = 0 ; void *argp2 ; int res2 = 0 ; void *argp3 ; int res3 = 0 ; void *argp4 ; int res4 = 0 ;
8315   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; {
8316     res1 = SWIG_R_ConvertPtr(a, &argp1, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res1)) {
8317       SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Point2PlaneSigned" "', argument " "1"" of type '" "OpenBabel::vector3""'");  }
8318        if (!argp1) {
8319       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "Point2PlaneSigned" "', argument " "1"" of type '" "OpenBabel::vector3""'"); }
8320      else { arg1 = *(reinterpret_cast< OpenBabel::vector3 * >(argp1)); }  }  {
8321     res2 = SWIG_R_ConvertPtr(b, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
8322       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "Point2PlaneSigned" "', argument " "2"" of type '" "OpenBabel::vector3""'");  }
8323        if (!argp2) {
8324       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "Point2PlaneSigned" "', argument " "2"" of type '" "OpenBabel::vector3""'"); }
8325      else { arg2 = *(reinterpret_cast< OpenBabel::vector3 * >(argp2)); }  }  {
8326     res3 = SWIG_R_ConvertPtr(c, &argp3, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res3)) {
8327       SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "Point2PlaneSigned" "', argument " "3"" of type '" "OpenBabel::vector3""'");  }
8328        if (!argp3) {
8329       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "Point2PlaneSigned" "', argument " "3"" of type '" "OpenBabel::vector3""'"); }
8330      else { arg3 = *(reinterpret_cast< OpenBabel::vector3 * >(argp3)); }  }  {
8331     res4 = SWIG_R_ConvertPtr(d, &argp4, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res4)) {
8332       SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "Point2PlaneSigned" "', argument " "4"" of type '" "OpenBabel::vector3""'");  }
8333        if (!argp4) {
8334       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "Point2PlaneSigned" "', argument " "4"" of type '" "OpenBabel::vector3""'"); }
8335      else { arg4 = *(reinterpret_cast< OpenBabel::vector3 * >(argp4)); }  }
8336   result = (double)OpenBabel::Point2PlaneSigned(arg1,arg2,arg3,arg4); r_ans = SWIG_From_double(static_cast< double >(result));
8337   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_Point2Plane(SEXP a,SEXP b,SEXP c,SEXP d,SEXP s_swig_copy)8338 SWIGEXPORT SEXP R_swig_Point2Plane ( SEXP a, SEXP b, SEXP c, SEXP d, SEXP s_swig_copy) { double result;
8339   OpenBabel::vector3 arg1 ; OpenBabel::vector3 arg2 ; OpenBabel::vector3 arg3 ; OpenBabel::vector3 arg4 ; void *argp1 ;
8340   int res1 = 0 ; void *argp2 ; int res2 = 0 ; void *argp3 ; int res3 = 0 ; void *argp4 ; int res4 = 0 ;
8341   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; {
8342     res1 = SWIG_R_ConvertPtr(a, &argp1, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res1)) {
8343       SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Point2Plane" "', argument " "1"" of type '" "OpenBabel::vector3""'");  }
8344        if (!argp1) {
8345       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "Point2Plane" "', argument " "1"" of type '" "OpenBabel::vector3""'"); }
8346      else { arg1 = *(reinterpret_cast< OpenBabel::vector3 * >(argp1)); }  }  {
8347     res2 = SWIG_R_ConvertPtr(b, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
8348       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "Point2Plane" "', argument " "2"" of type '" "OpenBabel::vector3""'");  }
8349        if (!argp2) {
8350       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "Point2Plane" "', argument " "2"" of type '" "OpenBabel::vector3""'"); }
8351      else { arg2 = *(reinterpret_cast< OpenBabel::vector3 * >(argp2)); }  }  {
8352     res3 = SWIG_R_ConvertPtr(c, &argp3, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res3)) {
8353       SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "Point2Plane" "', argument " "3"" of type '" "OpenBabel::vector3""'");  }
8354        if (!argp3) {
8355       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "Point2Plane" "', argument " "3"" of type '" "OpenBabel::vector3""'"); }
8356      else { arg3 = *(reinterpret_cast< OpenBabel::vector3 * >(argp3)); }  }  {
8357     res4 = SWIG_R_ConvertPtr(d, &argp4, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res4)) {
8358       SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "Point2Plane" "', argument " "4"" of type '" "OpenBabel::vector3""'");  }
8359        if (!argp4) {
8360       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "Point2Plane" "', argument " "4"" of type '" "OpenBabel::vector3""'"); }
8361      else { arg4 = *(reinterpret_cast< OpenBabel::vector3 * >(argp4)); }  }
8362   result = (double)OpenBabel::Point2Plane(arg1,arg2,arg3,arg4); r_ans = SWIG_From_double(static_cast< double >(result));
8363   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_Point2PlaneAngle(SEXP a,SEXP b,SEXP c,SEXP d,SEXP s_swig_copy)8364 SWIGEXPORT SEXP R_swig_Point2PlaneAngle ( SEXP a, SEXP b, SEXP c, SEXP d, SEXP s_swig_copy) { double result;
8365   OpenBabel::vector3 arg1 ; OpenBabel::vector3 arg2 ; OpenBabel::vector3 arg3 ; OpenBabel::vector3 arg4 ; void *argp1 ;
8366   int res1 = 0 ; void *argp2 ; int res2 = 0 ; void *argp3 ; int res3 = 0 ; void *argp4 ; int res4 = 0 ;
8367   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; {
8368     res1 = SWIG_R_ConvertPtr(a, &argp1, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res1)) {
8369       SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Point2PlaneAngle" "', argument " "1"" of type '" "OpenBabel::vector3 const""'");  }
8370        if (!argp1) {
8371       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "Point2PlaneAngle" "', argument " "1"" of type '" "OpenBabel::vector3 const""'"); }
8372      else { arg1 = *(reinterpret_cast< OpenBabel::vector3 * >(argp1)); }  }  {
8373     res2 = SWIG_R_ConvertPtr(b, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
8374       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "Point2PlaneAngle" "', argument " "2"" of type '" "OpenBabel::vector3 const""'");  }
8375        if (!argp2) {
8376       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "Point2PlaneAngle" "', argument " "2"" of type '" "OpenBabel::vector3 const""'"); }
8377      else { arg2 = *(reinterpret_cast< OpenBabel::vector3 * >(argp2)); }  }  {
8378     res3 = SWIG_R_ConvertPtr(c, &argp3, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res3)) {
8379       SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "Point2PlaneAngle" "', argument " "3"" of type '" "OpenBabel::vector3 const""'");  }
8380        if (!argp3) {
8381       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "Point2PlaneAngle" "', argument " "3"" of type '" "OpenBabel::vector3 const""'"); }
8382      else { arg3 = *(reinterpret_cast< OpenBabel::vector3 * >(argp3)); }  }  {
8383     res4 = SWIG_R_ConvertPtr(d, &argp4, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res4)) {
8384       SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "Point2PlaneAngle" "', argument " "4"" of type '" "OpenBabel::vector3 const""'");  }
8385        if (!argp4) {
8386       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "Point2PlaneAngle" "', argument " "4"" of type '" "OpenBabel::vector3 const""'"); }
8387      else { arg4 = *(reinterpret_cast< OpenBabel::vector3 * >(argp4)); }  }
8388   result = (double)OpenBabel::Point2PlaneAngle(arg1,arg2,arg3,arg4); r_ans = SWIG_From_double(static_cast< double >(result));
8389   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_Point2Line(SEXP a,SEXP b,SEXP c,SEXP s_swig_copy)8390 SWIGEXPORT SEXP R_swig_Point2Line ( SEXP a, SEXP b, SEXP c, SEXP s_swig_copy) { double result; OpenBabel::vector3 *arg1 = 0 ;
8391   OpenBabel::vector3 *arg2 = 0 ; OpenBabel::vector3 *arg3 = 0 ; void *argp1 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ;
8392   void *argp3 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8393   res1 = SWIG_R_ConvertPtr(a, &argp1, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res1)) {
8394     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Point2Line" "', argument " "1"" of type '" "OpenBabel::vector3 const &""'");  }
8395    if (!argp1) {
8396     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "Point2Line" "', argument " "1"" of type '" "OpenBabel::vector3 const &""'"); }
8397    arg1 = reinterpret_cast< OpenBabel::vector3 * >(argp1);
8398   res2 = SWIG_R_ConvertPtr(b, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
8399     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "Point2Line" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'");  }
8400    if (!argp2) {
8401     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "Point2Line" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'"); }
8402    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2);
8403   res3 = SWIG_R_ConvertPtr(c, &argp3, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res3)) {
8404     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "Point2Line" "', argument " "3"" of type '" "OpenBabel::vector3 const &""'");  }
8405    if (!argp3) {
8406     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "Point2Line" "', argument " "3"" of type '" "OpenBabel::vector3 const &""'"); }
8407    arg3 = reinterpret_cast< OpenBabel::vector3 * >(argp3);
8408   result = (double)OpenBabel::Point2Line((OpenBabel::vector3 const &)*arg1,(OpenBabel::vector3 const &)*arg2,(OpenBabel::vector3 const &)*arg3);
8409   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
8410   return r_ans; }
R_swig_VZero_get(SEXP s_swig_copy)8411 SWIGEXPORT SEXP R_swig_VZero_get ( SEXP s_swig_copy) { OpenBabel::vector3 *result = 0 ; unsigned int r_nprotect = 0;
8412   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::vector3 *) &OpenBabel::VZero;
8413   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__vector3, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
8414   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_VX_get(SEXP s_swig_copy)8415 SWIGEXPORT SEXP R_swig_VX_get ( SEXP s_swig_copy) { OpenBabel::vector3 *result = 0 ; unsigned int r_nprotect = 0;
8416   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::vector3 *) &OpenBabel::VX;
8417   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__vector3, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
8418   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_VY_get(SEXP s_swig_copy)8419 SWIGEXPORT SEXP R_swig_VY_get ( SEXP s_swig_copy) { OpenBabel::vector3 *result = 0 ; unsigned int r_nprotect = 0;
8420   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::vector3 *) &OpenBabel::VY;
8421   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__vector3, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
8422   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_VZ_get(SEXP s_swig_copy)8423 SWIGEXPORT SEXP R_swig_VZ_get ( SEXP s_swig_copy) { OpenBabel::vector3 *result = 0 ; unsigned int r_nprotect = 0;
8424   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::vector3 *) &OpenBabel::VZ;
8425   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__vector3, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
8426   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_matrix3x3__SWIG_0()8427 SWIGEXPORT SEXP R_swig_new_matrix3x3__SWIG_0 ( ) { OpenBabel::matrix3x3 *result = 0 ; unsigned int r_nprotect = 0;
8428   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::matrix3x3 *)new OpenBabel::matrix3x3();
8429   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__matrix3x3, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
8430   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_matrix3x3__SWIG_1(SEXP s)8431 SWIGEXPORT SEXP R_swig_new_matrix3x3__SWIG_1 ( SEXP s) { OpenBabel::matrix3x3 *result = 0 ; double arg1 ;
8432   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; arg1 = static_cast< double >(REAL(s)[0]);
8433   result = (OpenBabel::matrix3x3 *)new OpenBabel::matrix3x3(arg1);
8434   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__matrix3x3, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
8435   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_matrix3x3__SWIG_2(SEXP row1,SEXP row2,SEXP row3)8436 SWIGEXPORT SEXP R_swig_new_matrix3x3__SWIG_2 ( SEXP row1, SEXP row2, SEXP row3) { OpenBabel::matrix3x3 *result = 0 ;
8437   OpenBabel::vector3 arg1 ; OpenBabel::vector3 arg2 ; OpenBabel::vector3 arg3 ; void *argp1 ; int res1 = 0 ; void *argp2 ;
8438   int res2 = 0 ; void *argp3 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
8439   VMAXTYPE r_vmax = vmaxget() ; { res1 = SWIG_R_ConvertPtr(row1, &argp1, SWIGTYPE_p_OpenBabel__vector3,  0 );
8440     if (!SWIG_IsOK(res1)) {
8441       SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_matrix3x3" "', argument " "1"" of type '" "OpenBabel::vector3""'");  }
8442        if (!argp1) {
8443       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_matrix3x3" "', argument " "1"" of type '" "OpenBabel::vector3""'"); }
8444      else { arg1 = *(reinterpret_cast< OpenBabel::vector3 * >(argp1)); }  }  {
8445     res2 = SWIG_R_ConvertPtr(row2, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
8446       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_matrix3x3" "', argument " "2"" of type '" "OpenBabel::vector3""'");  }
8447        if (!argp2) {
8448       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_matrix3x3" "', argument " "2"" of type '" "OpenBabel::vector3""'"); }
8449      else { arg2 = *(reinterpret_cast< OpenBabel::vector3 * >(argp2)); }  }  {
8450     res3 = SWIG_R_ConvertPtr(row3, &argp3, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res3)) {
8451       SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "new_matrix3x3" "', argument " "3"" of type '" "OpenBabel::vector3""'");  }
8452        if (!argp3) {
8453       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_matrix3x3" "', argument " "3"" of type '" "OpenBabel::vector3""'"); }
8454      else { arg3 = *(reinterpret_cast< OpenBabel::vector3 * >(argp3)); }  }
8455   result = (OpenBabel::matrix3x3 *)new OpenBabel::matrix3x3(arg1,arg2,arg3);
8456   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__matrix3x3, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
8457   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_matrix3x3__SWIG_3(SEXP d)8458 SWIGEXPORT SEXP R_swig_new_matrix3x3__SWIG_3 ( SEXP d) { OpenBabel::matrix3x3 *result = 0 ; double (*arg1)[3] ;
8459   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8460   res1 = SWIG_R_ConvertPtr(d, &argp1, SWIGTYPE_p_a_3__double, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8461     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_matrix3x3" "', argument " "1"" of type '" "double [3][3]""'");  }
8462     arg1 = reinterpret_cast< double (*)[3] >(argp1);
8463   result = (OpenBabel::matrix3x3 *)new OpenBabel::matrix3x3((double (*)[3])arg1);
8464   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__matrix3x3, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
8465   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_matrix3x3(SEXP self)8466 SWIGEXPORT SEXP R_swig_delete_matrix3x3 ( SEXP self) { OpenBabel::matrix3x3 *arg1 = (OpenBabel::matrix3x3 *) 0 ;
8467   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8468   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__matrix3x3, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
8469     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_matrix3x3" "', argument " "1"" of type '" "OpenBabel::matrix3x3 *""'");  }
8470    arg1 = reinterpret_cast< OpenBabel::matrix3x3 * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
8471   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_matrix3x3_GetArray(SEXP self,SEXP m)8472 SWIGEXPORT SEXP R_swig_matrix3x3_GetArray ( SEXP self, SEXP m) { OpenBabel::matrix3x3 *arg1 = (OpenBabel::matrix3x3 *) 0 ;
8473   double *arg2 = (double *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
8474   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__matrix3x3, 0 |  0 );
8475   if (!SWIG_IsOK(res1)) {
8476     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "matrix3x3_GetArray" "', argument " "1"" of type '" "OpenBabel::matrix3x3 *""'");  }
8477    arg1 = reinterpret_cast< OpenBabel::matrix3x3 * >(argp1); { { int _rswigi; int _rswiglen = LENGTH(m);
8478       arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
8479         arg2[_rswigi] = REAL(m)[_rswigi]; }  }  }  (arg1)->GetArray(arg2); r_ans = R_NilValue; free(arg2); vmaxset(r_vmax);
8480   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_matrix3x3_inverse(SEXP self,SEXP s_swig_copy)8481 SWIGEXPORT SEXP R_swig_matrix3x3_inverse ( SEXP self, SEXP s_swig_copy) { OpenBabel::matrix3x3 result;
8482   OpenBabel::matrix3x3 *arg1 = (OpenBabel::matrix3x3 *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
8483   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8484   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__matrix3x3, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8485     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "matrix3x3_inverse" "', argument " "1"" of type '" "OpenBabel::matrix3x3 const *""'");  }
8486    arg1 = reinterpret_cast< OpenBabel::matrix3x3 * >(argp1); result = ((OpenBabel::matrix3x3 const *)arg1)->inverse();
8487   r_ans = SWIG_R_NewPointerObj((new OpenBabel::matrix3x3(static_cast< const OpenBabel::matrix3x3& >(result))), SWIGTYPE_p_OpenBabel__matrix3x3, SWIG_POINTER_OWN |  0 );
8488   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_matrix3x3_transpose(SEXP self,SEXP s_swig_copy)8489 SWIGEXPORT SEXP R_swig_matrix3x3_transpose ( SEXP self, SEXP s_swig_copy) { OpenBabel::matrix3x3 result;
8490   OpenBabel::matrix3x3 *arg1 = (OpenBabel::matrix3x3 *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
8491   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8492   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__matrix3x3, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8493     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "matrix3x3_transpose" "', argument " "1"" of type '" "OpenBabel::matrix3x3 const *""'");  }
8494    arg1 = reinterpret_cast< OpenBabel::matrix3x3 * >(argp1); result = ((OpenBabel::matrix3x3 const *)arg1)->transpose();
8495   r_ans = SWIG_R_NewPointerObj((new OpenBabel::matrix3x3(static_cast< const OpenBabel::matrix3x3& >(result))), SWIGTYPE_p_OpenBabel__matrix3x3, SWIG_POINTER_OWN |  0 );
8496   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_matrix3x3_randomRotation(SEXP self,SEXP rnd)8497 SWIGEXPORT SEXP R_swig_matrix3x3_randomRotation ( SEXP self, SEXP rnd) {
8498   OpenBabel::matrix3x3 *arg1 = (OpenBabel::matrix3x3 *) 0 ; OpenBabel::OBRandom *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
8499   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8500   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__matrix3x3, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8501     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "matrix3x3_randomRotation" "', argument " "1"" of type '" "OpenBabel::matrix3x3 *""'");  }
8502    arg1 = reinterpret_cast< OpenBabel::matrix3x3 * >(argp1);
8503   res2 = SWIG_R_ConvertPtr(rnd, &argp2, SWIGTYPE_p_OpenBabel__OBRandom,  0 ); if (!SWIG_IsOK(res2)) {
8504     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "matrix3x3_randomRotation" "', argument " "2"" of type '" "OpenBabel::OBRandom &""'");  }
8505    if (!argp2) {
8506     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "matrix3x3_randomRotation" "', argument " "2"" of type '" "OpenBabel::OBRandom &""'"); }
8507    arg2 = reinterpret_cast< OpenBabel::OBRandom * >(argp2); (arg1)->randomRotation(*arg2); r_ans = R_NilValue; vmaxset(r_vmax);
8508   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_matrix3x3_determinant(SEXP self,SEXP s_swig_copy)8509 SWIGEXPORT SEXP R_swig_matrix3x3_determinant ( SEXP self, SEXP s_swig_copy) { double result;
8510   OpenBabel::matrix3x3 *arg1 = (OpenBabel::matrix3x3 *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
8511   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8512   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__matrix3x3, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8513     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "matrix3x3_determinant" "', argument " "1"" of type '" "OpenBabel::matrix3x3 const *""'");  }
8514    arg1 = reinterpret_cast< OpenBabel::matrix3x3 * >(argp1);
8515   result = (double)((OpenBabel::matrix3x3 const *)arg1)->determinant(); r_ans = SWIG_From_double(static_cast< double >(result));
8516   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_matrix3x3_isSymmetric(SEXP self,SEXP s_swig_copy)8517 SWIGEXPORT SEXP R_swig_matrix3x3_isSymmetric ( SEXP self, SEXP s_swig_copy) { bool result;
8518   OpenBabel::matrix3x3 *arg1 = (OpenBabel::matrix3x3 *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
8519   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8520   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__matrix3x3, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8521     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "matrix3x3_isSymmetric" "', argument " "1"" of type '" "OpenBabel::matrix3x3 const *""'");  }
8522    arg1 = reinterpret_cast< OpenBabel::matrix3x3 * >(argp1); result = (bool)((OpenBabel::matrix3x3 const *)arg1)->isSymmetric();
8523   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_matrix3x3_isOrthogonal(SEXP self,SEXP s_swig_copy)8524 SWIGEXPORT SEXP R_swig_matrix3x3_isOrthogonal ( SEXP self, SEXP s_swig_copy) { bool result;
8525   OpenBabel::matrix3x3 *arg1 = (OpenBabel::matrix3x3 *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
8526   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8527   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__matrix3x3, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8528     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "matrix3x3_isOrthogonal" "', argument " "1"" of type '" "OpenBabel::matrix3x3 const *""'");  }
8529    arg1 = reinterpret_cast< OpenBabel::matrix3x3 * >(argp1);
8530   result = (bool)((OpenBabel::matrix3x3 const *)arg1)->isOrthogonal(); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
8531   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_matrix3x3_isDiagonal(SEXP self,SEXP s_swig_copy)8532 SWIGEXPORT SEXP R_swig_matrix3x3_isDiagonal ( SEXP self, SEXP s_swig_copy) { bool result;
8533   OpenBabel::matrix3x3 *arg1 = (OpenBabel::matrix3x3 *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
8534   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8535   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__matrix3x3, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8536     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "matrix3x3_isDiagonal" "', argument " "1"" of type '" "OpenBabel::matrix3x3 const *""'");  }
8537    arg1 = reinterpret_cast< OpenBabel::matrix3x3 * >(argp1); result = (bool)((OpenBabel::matrix3x3 const *)arg1)->isDiagonal();
8538   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_matrix3x3_isUnitMatrix(SEXP self,SEXP s_swig_copy)8539 SWIGEXPORT SEXP R_swig_matrix3x3_isUnitMatrix ( SEXP self, SEXP s_swig_copy) { bool result;
8540   OpenBabel::matrix3x3 *arg1 = (OpenBabel::matrix3x3 *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
8541   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8542   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__matrix3x3, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8543     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "matrix3x3_isUnitMatrix" "', argument " "1"" of type '" "OpenBabel::matrix3x3 const *""'");  }
8544    arg1 = reinterpret_cast< OpenBabel::matrix3x3 * >(argp1);
8545   result = (bool)((OpenBabel::matrix3x3 const *)arg1)->isUnitMatrix(); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
8546   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_matrix3x3_Get(SEXP self,SEXP row,SEXP column,SEXP s_swig_copy)8547 SWIGEXPORT SEXP R_swig_matrix3x3_Get ( SEXP self, SEXP row, SEXP column, SEXP s_swig_copy) { double result;
8548   OpenBabel::matrix3x3 *arg1 = (OpenBabel::matrix3x3 *) 0 ; int arg2 ; int arg3 ; void *argp1 = 0 ; int res1 = 0 ;
8549   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8550   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__matrix3x3, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8551     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "matrix3x3_Get" "', argument " "1"" of type '" "OpenBabel::matrix3x3 const *""'");  }
8552    arg1 = reinterpret_cast< OpenBabel::matrix3x3 * >(argp1); arg2 = static_cast< int >(INTEGER(row)[0]);
8553   arg3 = static_cast< int >(INTEGER(column)[0]); result = (double)((OpenBabel::matrix3x3 const *)arg1)->Get(arg2,arg3);
8554   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
8555   return r_ans; }
R_swig_matrix3x3_Set(SEXP self,SEXP row,SEXP column,SEXP v)8556 SWIGEXPORT SEXP R_swig_matrix3x3_Set ( SEXP self, SEXP row, SEXP column, SEXP v) {
8557   OpenBabel::matrix3x3 *arg1 = (OpenBabel::matrix3x3 *) 0 ; int arg2 ; int arg3 ; double arg4 ; void *argp1 = 0 ; int res1 = 0 ;
8558   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8559   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__matrix3x3, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8560     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "matrix3x3_Set" "', argument " "1"" of type '" "OpenBabel::matrix3x3 *""'");  }
8561    arg1 = reinterpret_cast< OpenBabel::matrix3x3 * >(argp1); arg2 = static_cast< int >(INTEGER(row)[0]);
8562   arg3 = static_cast< int >(INTEGER(column)[0]); arg4 = static_cast< double >(REAL(v)[0]); (arg1)->Set(arg2,arg3,arg4);
8563   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_matrix3x3_SetColumn(SEXP self,SEXP column,SEXP v)8564 SWIGEXPORT SEXP R_swig_matrix3x3_SetColumn ( SEXP self, SEXP column, SEXP v) {
8565   OpenBabel::matrix3x3 *arg1 = (OpenBabel::matrix3x3 *) 0 ; int arg2 ; OpenBabel::vector3 *arg3 = 0 ; void *argp1 = 0 ;
8566   int res1 = 0 ; void *argp3 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
8567   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__matrix3x3, 0 |  0 );
8568   if (!SWIG_IsOK(res1)) {
8569     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "matrix3x3_SetColumn" "', argument " "1"" of type '" "OpenBabel::matrix3x3 *""'");  }
8570    arg1 = reinterpret_cast< OpenBabel::matrix3x3 * >(argp1); arg2 = static_cast< int >(INTEGER(column)[0]);
8571   res3 = SWIG_R_ConvertPtr(v, &argp3, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res3)) {
8572     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "matrix3x3_SetColumn" "', argument " "3"" of type '" "OpenBabel::vector3 const &""'");  }
8573    if (!argp3) {
8574     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "matrix3x3_SetColumn" "', argument " "3"" of type '" "OpenBabel::vector3 const &""'"); }
8575    arg3 = reinterpret_cast< OpenBabel::vector3 * >(argp3); (arg1)->SetColumn(arg2,(OpenBabel::vector3 const &)*arg3);
8576   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_matrix3x3_SetRow(SEXP self,SEXP row,SEXP v)8577 SWIGEXPORT SEXP R_swig_matrix3x3_SetRow ( SEXP self, SEXP row, SEXP v) {
8578   OpenBabel::matrix3x3 *arg1 = (OpenBabel::matrix3x3 *) 0 ; int arg2 ; OpenBabel::vector3 *arg3 = 0 ; void *argp1 = 0 ;
8579   int res1 = 0 ; void *argp3 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
8580   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__matrix3x3, 0 |  0 );
8581   if (!SWIG_IsOK(res1)) {
8582     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "matrix3x3_SetRow" "', argument " "1"" of type '" "OpenBabel::matrix3x3 *""'");  }
8583    arg1 = reinterpret_cast< OpenBabel::matrix3x3 * >(argp1); arg2 = static_cast< int >(INTEGER(row)[0]);
8584   res3 = SWIG_R_ConvertPtr(v, &argp3, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res3)) {
8585     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "matrix3x3_SetRow" "', argument " "3"" of type '" "OpenBabel::vector3 const &""'");  }
8586    if (!argp3) {
8587     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "matrix3x3_SetRow" "', argument " "3"" of type '" "OpenBabel::vector3 const &""'"); }
8588    arg3 = reinterpret_cast< OpenBabel::vector3 * >(argp3); (arg1)->SetRow(arg2,(OpenBabel::vector3 const &)*arg3);
8589   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_matrix3x3_GetColumn(SEXP self,SEXP col,SEXP s_swig_copy)8590 SWIGEXPORT SEXP R_swig_matrix3x3_GetColumn ( SEXP self, SEXP col, SEXP s_swig_copy) { OpenBabel::vector3 result;
8591   OpenBabel::matrix3x3 *arg1 = (OpenBabel::matrix3x3 *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ;
8592   int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8593   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__matrix3x3, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8594     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "matrix3x3_GetColumn" "', argument " "1"" of type '" "OpenBabel::matrix3x3 const *""'");  }
8595    arg1 = reinterpret_cast< OpenBabel::matrix3x3 * >(argp1); ecode2 = SWIG_AsVal_int(col, &val2); if (!SWIG_IsOK(ecode2)) {
8596     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "matrix3x3_GetColumn" "', argument " "2"" of type '" "unsigned int""'"); }
8597     arg2 = static_cast< unsigned int >(val2); result = ((OpenBabel::matrix3x3 const *)arg1)->GetColumn(arg2);
8598   r_ans = SWIG_R_NewPointerObj((new OpenBabel::vector3(static_cast< const OpenBabel::vector3& >(result))), SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_OWN |  0 );
8599   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_matrix3x3_GetRow(SEXP self,SEXP row,SEXP s_swig_copy)8600 SWIGEXPORT SEXP R_swig_matrix3x3_GetRow ( SEXP self, SEXP row, SEXP s_swig_copy) { OpenBabel::vector3 result;
8601   OpenBabel::matrix3x3 *arg1 = (OpenBabel::matrix3x3 *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ;
8602   int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8603   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__matrix3x3, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8604     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "matrix3x3_GetRow" "', argument " "1"" of type '" "OpenBabel::matrix3x3 const *""'");  }
8605    arg1 = reinterpret_cast< OpenBabel::matrix3x3 * >(argp1); ecode2 = SWIG_AsVal_int(row, &val2); if (!SWIG_IsOK(ecode2)) {
8606     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "matrix3x3_GetRow" "', argument " "2"" of type '" "unsigned int""'"); }
8607     arg2 = static_cast< unsigned int >(val2); result = ((OpenBabel::matrix3x3 const *)arg1)->GetRow(arg2);
8608   r_ans = SWIG_R_NewPointerObj((new OpenBabel::vector3(static_cast< const OpenBabel::vector3& >(result))), SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_OWN |  0 );
8609   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_matrix3x3_SetupRotMat(SEXP self,SEXP x,SEXP y,SEXP z)8610 SWIGEXPORT SEXP R_swig_matrix3x3_SetupRotMat ( SEXP self, SEXP x, SEXP y, SEXP z) {
8611   OpenBabel::matrix3x3 *arg1 = (OpenBabel::matrix3x3 *) 0 ; double arg2 ; double arg3 ; double arg4 ; void *argp1 = 0 ;
8612   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8613   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__matrix3x3, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8614     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "matrix3x3_SetupRotMat" "', argument " "1"" of type '" "OpenBabel::matrix3x3 *""'");  }
8615    arg1 = reinterpret_cast< OpenBabel::matrix3x3 * >(argp1); arg2 = static_cast< double >(REAL(x)[0]);
8616   arg3 = static_cast< double >(REAL(y)[0]); arg4 = static_cast< double >(REAL(z)[0]); (arg1)->SetupRotMat(arg2,arg3,arg4);
8617   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_matrix3x3_PlaneReflection(SEXP self,SEXP norm)8618 SWIGEXPORT SEXP R_swig_matrix3x3_PlaneReflection ( SEXP self, SEXP norm) {
8619   OpenBabel::matrix3x3 *arg1 = (OpenBabel::matrix3x3 *) 0 ; OpenBabel::vector3 *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
8620   void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8621   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__matrix3x3, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8622     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "matrix3x3_PlaneReflection" "', argument " "1"" of type '" "OpenBabel::matrix3x3 *""'");  }
8623    arg1 = reinterpret_cast< OpenBabel::matrix3x3 * >(argp1);
8624   res2 = SWIG_R_ConvertPtr(norm, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
8625     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "matrix3x3_PlaneReflection" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'");  }
8626    if (!argp2) {
8627     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "matrix3x3_PlaneReflection" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'"); }
8628    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2); (arg1)->PlaneReflection((OpenBabel::vector3 const &)*arg2);
8629   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_matrix3x3_RotAboutAxisByAngle(SEXP self,SEXP axis,SEXP angle)8630 SWIGEXPORT SEXP R_swig_matrix3x3_RotAboutAxisByAngle ( SEXP self, SEXP axis, SEXP angle) {
8631   OpenBabel::matrix3x3 *arg1 = (OpenBabel::matrix3x3 *) 0 ; OpenBabel::vector3 *arg2 = 0 ; double arg3 ; void *argp1 = 0 ;
8632   int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
8633   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__matrix3x3, 0 |  0 );
8634   if (!SWIG_IsOK(res1)) {
8635     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "matrix3x3_RotAboutAxisByAngle" "', argument " "1"" of type '" "OpenBabel::matrix3x3 *""'");  }
8636    arg1 = reinterpret_cast< OpenBabel::matrix3x3 * >(argp1);
8637   res2 = SWIG_R_ConvertPtr(axis, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
8638     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "matrix3x3_RotAboutAxisByAngle" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'");  }
8639    if (!argp2) {
8640     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "matrix3x3_RotAboutAxisByAngle" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'"); }
8641    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2); arg3 = static_cast< double >(REAL(angle)[0]);
8642   (arg1)->RotAboutAxisByAngle((OpenBabel::vector3 const &)*arg2,arg3); r_ans = R_NilValue; vmaxset(r_vmax);
8643   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_matrix3x3_FillOrth(SEXP self,SEXP alpha,SEXP beta,SEXP gamma,SEXP a,SEXP b,SEXP c)8644 SWIGEXPORT SEXP R_swig_matrix3x3_FillOrth ( SEXP self, SEXP alpha, SEXP beta, SEXP gamma, SEXP a, SEXP b, SEXP c) {
8645   OpenBabel::matrix3x3 *arg1 = (OpenBabel::matrix3x3 *) 0 ; double arg2 ; double arg3 ; double arg4 ; double arg5 ;
8646   double arg6 ; double arg7 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
8647   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__matrix3x3, 0 |  0 );
8648   if (!SWIG_IsOK(res1)) {
8649     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "matrix3x3_FillOrth" "', argument " "1"" of type '" "OpenBabel::matrix3x3 *""'");  }
8650    arg1 = reinterpret_cast< OpenBabel::matrix3x3 * >(argp1); arg2 = static_cast< double >(REAL(alpha)[0]);
8651   arg3 = static_cast< double >(REAL(beta)[0]); arg4 = static_cast< double >(REAL(gamma)[0]);
8652   arg5 = static_cast< double >(REAL(a)[0]); arg6 = static_cast< double >(REAL(b)[0]); arg7 = static_cast< double >(REAL(c)[0]);
8653   (arg1)->FillOrth(arg2,arg3,arg4,arg5,arg6,arg7); r_ans = R_NilValue; vmaxset(r_vmax);
8654   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_matrix3x3_findEigenvectorsIfSymmetric(SEXP self,SEXP eigenvals,SEXP s_swig_copy)8655 SWIGEXPORT SEXP R_swig_matrix3x3_findEigenvectorsIfSymmetric ( SEXP self, SEXP eigenvals, SEXP s_swig_copy) {
8656   OpenBabel::matrix3x3 result; OpenBabel::matrix3x3 *arg1 = (OpenBabel::matrix3x3 *) 0 ; OpenBabel::vector3 *arg2 = 0 ;
8657   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
8658   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__matrix3x3, 0 |  0 );
8659   if (!SWIG_IsOK(res1)) {
8660     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "matrix3x3_findEigenvectorsIfSymmetric" "', argument " "1"" of type '" "OpenBabel::matrix3x3 const *""'");  }
8661    arg1 = reinterpret_cast< OpenBabel::matrix3x3 * >(argp1);
8662   res2 = SWIG_R_ConvertPtr(eigenvals, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
8663     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "matrix3x3_findEigenvectorsIfSymmetric" "', argument " "2"" of type '" "OpenBabel::vector3 &""'");  }
8664    if (!argp2) {
8665     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "matrix3x3_findEigenvectorsIfSymmetric" "', argument " "2"" of type '" "OpenBabel::vector3 &""'"); }
8666    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2);
8667   result = ((OpenBabel::matrix3x3 const *)arg1)->findEigenvectorsIfSymmetric(*arg2);
8668   r_ans = SWIG_R_NewPointerObj((new OpenBabel::matrix3x3(static_cast< const OpenBabel::matrix3x3& >(result))), SWIGTYPE_p_OpenBabel__matrix3x3, SWIG_POINTER_OWN |  0 );
8669   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_Multiply__SWIG_0(SEXP s_arg1,SEXP s_arg2,SEXP s_swig_copy)8670 SWIGEXPORT SEXP R_swig_Multiply__SWIG_0 ( SEXP s_arg1, SEXP s_arg2, SEXP s_swig_copy) { OpenBabel::vector3 result;
8671   OpenBabel::matrix3x3 *arg1 = 0 ; OpenBabel::vector3 *arg2 = 0 ; void *argp1 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ;
8672   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8673   res1 = SWIG_R_ConvertPtr(s_arg1, &argp1, SWIGTYPE_p_OpenBabel__matrix3x3,  0 ); if (!SWIG_IsOK(res1)) {
8674     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Multiply" "', argument " "1"" of type '" "OpenBabel::matrix3x3 const &""'");  }
8675    if (!argp1) {
8676     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "Multiply" "', argument " "1"" of type '" "OpenBabel::matrix3x3 const &""'"); }
8677    arg1 = reinterpret_cast< OpenBabel::matrix3x3 * >(argp1);
8678   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
8679     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "Multiply" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'");  }
8680    if (!argp2) {
8681     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "Multiply" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'"); }
8682    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2);
8683   result = operator *((OpenBabel::matrix3x3 const &)*arg1,(OpenBabel::vector3 const &)*arg2);
8684   r_ans = SWIG_R_NewPointerObj((new OpenBabel::vector3(static_cast< const OpenBabel::vector3& >(result))), SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_OWN |  0 );
8685   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_Multiply__SWIG_1(SEXP s_arg1,SEXP s_arg2,SEXP s_swig_copy)8686 SWIGEXPORT SEXP R_swig_Multiply__SWIG_1 ( SEXP s_arg1, SEXP s_arg2, SEXP s_swig_copy) { OpenBabel::matrix3x3 result;
8687   OpenBabel::matrix3x3 *arg1 = 0 ; OpenBabel::matrix3x3 *arg2 = 0 ; void *argp1 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ;
8688   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8689   res1 = SWIG_R_ConvertPtr(s_arg1, &argp1, SWIGTYPE_p_OpenBabel__matrix3x3,  0 ); if (!SWIG_IsOK(res1)) {
8690     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Multiply" "', argument " "1"" of type '" "OpenBabel::matrix3x3 const &""'");  }
8691    if (!argp1) {
8692     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "Multiply" "', argument " "1"" of type '" "OpenBabel::matrix3x3 const &""'"); }
8693    arg1 = reinterpret_cast< OpenBabel::matrix3x3 * >(argp1);
8694   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__matrix3x3,  0 ); if (!SWIG_IsOK(res2)) {
8695     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "Multiply" "', argument " "2"" of type '" "OpenBabel::matrix3x3 const &""'");  }
8696    if (!argp2) {
8697     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "Multiply" "', argument " "2"" of type '" "OpenBabel::matrix3x3 const &""'"); }
8698    arg2 = reinterpret_cast< OpenBabel::matrix3x3 * >(argp2);
8699   result = operator *((OpenBabel::matrix3x3 const &)*arg1,(OpenBabel::matrix3x3 const &)*arg2);
8700   r_ans = SWIG_R_NewPointerObj((new OpenBabel::matrix3x3(static_cast< const OpenBabel::matrix3x3& >(result))), SWIGTYPE_p_OpenBabel__matrix3x3, SWIG_POINTER_OWN |  0 );
8701   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_matrix3x3_jacobi(SEXP n,SEXP a,SEXP d,SEXP v)8702 SWIGEXPORT SEXP R_swig_matrix3x3_jacobi ( SEXP n, SEXP a, SEXP d, SEXP v) { unsigned int arg1 ; double *arg2 = (double *) 0 ;
8703   double *arg3 = (double *) 0 ; double *arg4 = (double *) 0 ; int val1 ; int ecode1 = 0 ; unsigned int r_nprotect = 0;
8704   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; ecode1 = SWIG_AsVal_int(n, &val1); if (!SWIG_IsOK(ecode1)) {
8705     SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "matrix3x3_jacobi" "', argument " "1"" of type '" "unsigned int""'"); }
8706     arg1 = static_cast< unsigned int >(val1); { { int _rswigi; int _rswiglen = LENGTH(a);
8707       arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
8708         arg2[_rswigi] = REAL(a)[_rswigi]; }  }  }  { { int _rswigi; int _rswiglen = LENGTH(d);
8709       arg3 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
8710         arg3[_rswigi] = REAL(d)[_rswigi]; }  }  }  { { int _rswigi; int _rswiglen = LENGTH(v);
8711       arg4 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
8712         arg4[_rswigi] = REAL(v)[_rswigi]; }  }  }  OpenBabel::matrix3x3::jacobi(arg1,arg2,arg3,arg4); r_ans = R_NilValue;
8713   free(arg2); free(arg3); free(arg4); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_transform3d__SWIG_0()8714 SWIGEXPORT SEXP R_swig_new_transform3d__SWIG_0 ( ) { OpenBabel::transform3d *result = 0 ; unsigned int r_nprotect = 0;
8715   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::transform3d *)new OpenBabel::transform3d();
8716   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__transform3d, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
8717   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_transform3d__SWIG_1(SEXP m,SEXP v)8718 SWIGEXPORT SEXP R_swig_new_transform3d__SWIG_1 ( SEXP m, SEXP v) { OpenBabel::transform3d *result = 0 ;
8719   OpenBabel::matrix3x3 *arg1 = 0 ; OpenBabel::vector3 *arg2 = 0 ; void *argp1 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ;
8720   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8721   res1 = SWIG_R_ConvertPtr(m, &argp1, SWIGTYPE_p_OpenBabel__matrix3x3,  0 ); if (!SWIG_IsOK(res1)) {
8722     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_transform3d" "', argument " "1"" of type '" "OpenBabel::matrix3x3 const &""'");  }
8723    if (!argp1) {
8724     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_transform3d" "', argument " "1"" of type '" "OpenBabel::matrix3x3 const &""'"); }
8725    arg1 = reinterpret_cast< OpenBabel::matrix3x3 * >(argp1);
8726   res2 = SWIG_R_ConvertPtr(v, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
8727     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_transform3d" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'");  }
8728    if (!argp2) {
8729     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_transform3d" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'"); }
8730    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2);
8731   result = (OpenBabel::transform3d *)new OpenBabel::transform3d((OpenBabel::matrix3x3 const &)*arg1,(OpenBabel::vector3 const &)*arg2);
8732   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__transform3d, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
8733   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_transform3d__SWIG_2(SEXP s)8734 SWIGEXPORT SEXP R_swig_new_transform3d__SWIG_2 ( SEXP s) { OpenBabel::transform3d *result = 0 ; double arg1 ;
8735   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; arg1 = static_cast< double >(REAL(s)[0]);
8736   result = (OpenBabel::transform3d *)new OpenBabel::transform3d(arg1);
8737   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__transform3d, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
8738   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_transform3d__SWIG_3(SEXP row1,SEXP row2,SEXP row3,SEXP translation)8739 SWIGEXPORT SEXP R_swig_new_transform3d__SWIG_3 ( SEXP row1, SEXP row2, SEXP row3, SEXP translation) {
8740   OpenBabel::transform3d *result = 0 ; OpenBabel::vector3 arg1 ; OpenBabel::vector3 arg2 ; OpenBabel::vector3 arg3 ;
8741   OpenBabel::vector3 arg4 ; void *argp1 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ; void *argp3 ; int res3 = 0 ; void *argp4 ;
8742   int res4 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; {
8743     res1 = SWIG_R_ConvertPtr(row1, &argp1, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res1)) {
8744       SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_transform3d" "', argument " "1"" of type '" "OpenBabel::vector3""'");  }
8745        if (!argp1) {
8746       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_transform3d" "', argument " "1"" of type '" "OpenBabel::vector3""'"); }
8747      else { arg1 = *(reinterpret_cast< OpenBabel::vector3 * >(argp1)); }  }  {
8748     res2 = SWIG_R_ConvertPtr(row2, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
8749       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_transform3d" "', argument " "2"" of type '" "OpenBabel::vector3""'");  }
8750        if (!argp2) {
8751       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_transform3d" "', argument " "2"" of type '" "OpenBabel::vector3""'"); }
8752      else { arg2 = *(reinterpret_cast< OpenBabel::vector3 * >(argp2)); }  }  {
8753     res3 = SWIG_R_ConvertPtr(row3, &argp3, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res3)) {
8754       SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "new_transform3d" "', argument " "3"" of type '" "OpenBabel::vector3""'");  }
8755        if (!argp3) {
8756       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_transform3d" "', argument " "3"" of type '" "OpenBabel::vector3""'"); }
8757      else { arg3 = *(reinterpret_cast< OpenBabel::vector3 * >(argp3)); }  }  {
8758     res4 = SWIG_R_ConvertPtr(translation, &argp4, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res4)) {
8759       SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "new_transform3d" "', argument " "4"" of type '" "OpenBabel::vector3""'");  }
8760        if (!argp4) {
8761       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_transform3d" "', argument " "4"" of type '" "OpenBabel::vector3""'"); }
8762      else { arg4 = *(reinterpret_cast< OpenBabel::vector3 * >(argp4)); }  }
8763   result = (OpenBabel::transform3d *)new OpenBabel::transform3d(arg1,arg2,arg3,arg4);
8764   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__transform3d, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
8765   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_transform3d__SWIG_4(SEXP d,SEXP t)8766 SWIGEXPORT SEXP R_swig_new_transform3d__SWIG_4 ( SEXP d, SEXP t) { OpenBabel::transform3d *result = 0 ; double (*arg1)[3] ;
8767   double *arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
8768   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(d, &argp1, SWIGTYPE_p_a_3__double, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8769     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_transform3d" "', argument " "1"" of type '" "double [3][3]""'");  }
8770     arg1 = reinterpret_cast< double (*)[3] >(argp1); { { int _rswigi; int _rswiglen = LENGTH(t);
8771       arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
8772         arg2[_rswigi] = REAL(t)[_rswigi]; }  }  }
8773   result = (OpenBabel::transform3d *)new OpenBabel::transform3d((double (*)[3])arg1,arg2);
8774   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__transform3d, R_SWIG_OWNER |  0 ); free(arg2);
8775   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_transform3d_DescribeAsString(SEXP self,SEXP s_swig_copy)8776 SWIGEXPORT SEXP R_swig_transform3d_DescribeAsString ( SEXP self, SEXP s_swig_copy) { std::string result;
8777   OpenBabel::transform3d *arg1 = (OpenBabel::transform3d *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
8778   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8779   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__transform3d, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8780     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "transform3d_DescribeAsString" "', argument " "1"" of type '" "OpenBabel::transform3d const *""'");  }
8781    arg1 = reinterpret_cast< OpenBabel::transform3d * >(argp1);
8782   result = ((OpenBabel::transform3d const *)arg1)->DescribeAsString();
8783   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
8784   return r_ans; }
R_swig_transform3d_DescribeAsValues(SEXP self,SEXP s_swig_copy)8785 SWIGEXPORT SEXP R_swig_transform3d_DescribeAsValues ( SEXP self, SEXP s_swig_copy) { std::string result;
8786   OpenBabel::transform3d *arg1 = (OpenBabel::transform3d *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
8787   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8788   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__transform3d, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8789     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "transform3d_DescribeAsValues" "', argument " "1"" of type '" "OpenBabel::transform3d const *""'");  }
8790    arg1 = reinterpret_cast< OpenBabel::transform3d * >(argp1);
8791   result = ((OpenBabel::transform3d const *)arg1)->DescribeAsValues();
8792   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
8793   return r_ans; }
R_swig_transform3d_Normalize(SEXP self)8794 SWIGEXPORT SEXP R_swig_transform3d_Normalize ( SEXP self) { OpenBabel::transform3d *arg1 = (OpenBabel::transform3d *) 0 ;
8795   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8796   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__transform3d, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8797     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "transform3d_Normalize" "', argument " "1"" of type '" "OpenBabel::transform3d *""'");  }
8798    arg1 = reinterpret_cast< OpenBabel::transform3d * >(argp1); (arg1)->Normalize(); r_ans = R_NilValue; vmaxset(r_vmax);
8799   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_transform3d(SEXP self)8800 SWIGEXPORT SEXP R_swig_delete_transform3d ( SEXP self) { OpenBabel::transform3d *arg1 = (OpenBabel::transform3d *) 0 ;
8801   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8802   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__transform3d, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
8803     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_transform3d" "', argument " "1"" of type '" "OpenBabel::transform3d *""'");  }
8804    arg1 = reinterpret_cast< OpenBabel::transform3d * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
8805   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_new_SpaceGroup()8806 SWIGEXPORT SEXP R_swig_new_SpaceGroup ( ) { OpenBabel::SpaceGroup *result = 0 ; unsigned int r_nprotect = 0;
8807   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::SpaceGroup *)new OpenBabel::SpaceGroup();
8808   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__SpaceGroup, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
8809   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_SpaceGroup(SEXP self)8810 SWIGEXPORT SEXP R_swig_delete_SpaceGroup ( SEXP self) { OpenBabel::SpaceGroup *arg1 = (OpenBabel::SpaceGroup *) 0 ;
8811   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8812   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__SpaceGroup, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
8813     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_SpaceGroup" "', argument " "1"" of type '" "OpenBabel::SpaceGroup *""'");  }
8814    arg1 = reinterpret_cast< OpenBabel::SpaceGroup * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
8815   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_SpaceGroup_SetHMName__SWIG_0(SEXP self,SEXP name)8816 SWIGEXPORT SEXP R_swig_SpaceGroup_SetHMName__SWIG_0 ( SEXP self, SEXP name) {
8817   OpenBabel::SpaceGroup *arg1 = (OpenBabel::SpaceGroup *) 0 ; char *arg2 = (char *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
8818   int res2 ; char *buf2 = 0 ; int alloc2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
8819   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__SpaceGroup, 0 |  0 );
8820   if (!SWIG_IsOK(res1)) {
8821     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SpaceGroup_SetHMName" "', argument " "1"" of type '" "OpenBabel::SpaceGroup *""'");  }
8822    arg1 = reinterpret_cast< OpenBabel::SpaceGroup * >(argp1); res2 = SWIG_AsCharPtrAndSize(name, &buf2, NULL, &alloc2);
8823   if (!SWIG_IsOK(res2)) {
8824     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "SpaceGroup_SetHMName" "', argument " "2"" of type '" "char const *""'"); }
8825    arg2 = reinterpret_cast< char * >(buf2); (arg1)->SetHMName((char const *)arg2); r_ans = R_NilValue;
8826   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_SpaceGroup_SetHMName__SWIG_1(SEXP self,SEXP name)8827 SWIGEXPORT SEXP R_swig_SpaceGroup_SetHMName__SWIG_1 ( SEXP self, SEXP name) {
8828   OpenBabel::SpaceGroup *arg1 = (OpenBabel::SpaceGroup *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
8829   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8830   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__SpaceGroup, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8831     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SpaceGroup_SetHMName" "', argument " "1"" of type '" "OpenBabel::SpaceGroup *""'");  }
8832    arg1 = reinterpret_cast< OpenBabel::SpaceGroup * >(argp1); { std::string *ptr = (std::string *)0;
8833     res2 = SWIG_AsPtr_std_string(name, &ptr); if (!SWIG_IsOK(res2)) {
8834       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "SpaceGroup_SetHMName" "', argument " "2"" of type '" "std::string const &""'"); }
8835      if (!ptr) {
8836       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "SpaceGroup_SetHMName" "', argument " "2"" of type '" "std::string const &""'"); }
8837      arg2 = ptr; }  (arg1)->SetHMName((std::string const &)*arg2); r_ans = R_NilValue; if (SWIG_IsNewObj(res2)) delete arg2;
8838   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_SpaceGroup_SetHallName__SWIG_0(SEXP self,SEXP name)8839 SWIGEXPORT SEXP R_swig_SpaceGroup_SetHallName__SWIG_0 ( SEXP self, SEXP name) {
8840   OpenBabel::SpaceGroup *arg1 = (OpenBabel::SpaceGroup *) 0 ; char *arg2 = (char *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
8841   int res2 ; char *buf2 = 0 ; int alloc2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
8842   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__SpaceGroup, 0 |  0 );
8843   if (!SWIG_IsOK(res1)) {
8844     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SpaceGroup_SetHallName" "', argument " "1"" of type '" "OpenBabel::SpaceGroup *""'");  }
8845    arg1 = reinterpret_cast< OpenBabel::SpaceGroup * >(argp1); res2 = SWIG_AsCharPtrAndSize(name, &buf2, NULL, &alloc2);
8846   if (!SWIG_IsOK(res2)) {
8847     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "SpaceGroup_SetHallName" "', argument " "2"" of type '" "char const *""'"); }
8848    arg2 = reinterpret_cast< char * >(buf2); (arg1)->SetHallName((char const *)arg2); r_ans = R_NilValue;
8849   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_SpaceGroup_SetHallName__SWIG_1(SEXP self,SEXP name)8850 SWIGEXPORT SEXP R_swig_SpaceGroup_SetHallName__SWIG_1 ( SEXP self, SEXP name) {
8851   OpenBabel::SpaceGroup *arg1 = (OpenBabel::SpaceGroup *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
8852   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8853   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__SpaceGroup, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8854     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SpaceGroup_SetHallName" "', argument " "1"" of type '" "OpenBabel::SpaceGroup *""'");  }
8855    arg1 = reinterpret_cast< OpenBabel::SpaceGroup * >(argp1); { std::string *ptr = (std::string *)0;
8856     res2 = SWIG_AsPtr_std_string(name, &ptr); if (!SWIG_IsOK(res2)) {
8857       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "SpaceGroup_SetHallName" "', argument " "2"" of type '" "std::string const &""'"); }
8858      if (!ptr) {
8859       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "SpaceGroup_SetHallName" "', argument " "2"" of type '" "std::string const &""'"); }
8860      arg2 = ptr; }  (arg1)->SetHallName((std::string const &)*arg2); r_ans = R_NilValue; if (SWIG_IsNewObj(res2)) delete arg2;
8861   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_SpaceGroup_SetId(SEXP self,SEXP n)8862 SWIGEXPORT SEXP R_swig_SpaceGroup_SetId ( SEXP self, SEXP n) { OpenBabel::SpaceGroup *arg1 = (OpenBabel::SpaceGroup *) 0 ;
8863   unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0;
8864   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8865   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__SpaceGroup, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8866     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SpaceGroup_SetId" "', argument " "1"" of type '" "OpenBabel::SpaceGroup *""'");  }
8867    arg1 = reinterpret_cast< OpenBabel::SpaceGroup * >(argp1); ecode2 = SWIG_AsVal_int(n, &val2); if (!SWIG_IsOK(ecode2)) {
8868     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "SpaceGroup_SetId" "', argument " "2"" of type '" "unsigned int""'"); }
8869     arg2 = static_cast< unsigned int >(val2); (arg1)->SetId(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
8870   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_SpaceGroup_AddTransform(SEXP self,SEXP s)8871 SWIGEXPORT SEXP R_swig_SpaceGroup_AddTransform ( SEXP self, SEXP s) {
8872   OpenBabel::SpaceGroup *arg1 = (OpenBabel::SpaceGroup *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
8873   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8874   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__SpaceGroup, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8875     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SpaceGroup_AddTransform" "', argument " "1"" of type '" "OpenBabel::SpaceGroup *""'");  }
8876    arg1 = reinterpret_cast< OpenBabel::SpaceGroup * >(argp1); { std::string *ptr = (std::string *)0;
8877     res2 = SWIG_AsPtr_std_string(s, &ptr); if (!SWIG_IsOK(res2)) {
8878       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "SpaceGroup_AddTransform" "', argument " "2"" of type '" "std::string const &""'"); }
8879      if (!ptr) {
8880       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "SpaceGroup_AddTransform" "', argument " "2"" of type '" "std::string const &""'"); }
8881      arg2 = ptr; }  (arg1)->AddTransform((std::string const &)*arg2); r_ans = R_NilValue; if (SWIG_IsNewObj(res2)) delete arg2;
8882   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_SpaceGroup_GetHMName(SEXP self,SEXP s_swig_copy)8883 SWIGEXPORT SEXP R_swig_SpaceGroup_GetHMName ( SEXP self, SEXP s_swig_copy) { std::string *result = 0 ;
8884   OpenBabel::SpaceGroup *arg1 = (OpenBabel::SpaceGroup *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
8885   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8886   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__SpaceGroup, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8887     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SpaceGroup_GetHMName" "', argument " "1"" of type '" "OpenBabel::SpaceGroup const *""'");  }
8888    arg1 = reinterpret_cast< OpenBabel::SpaceGroup * >(argp1);
8889   result = (std::string *) &((OpenBabel::SpaceGroup const *)arg1)->GetHMName();
8890   r_ans = SWIG_From_std_string(static_cast< std::string >(*result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
8891   return r_ans; }
R_swig_SpaceGroup_GetHallName(SEXP self,SEXP s_swig_copy)8892 SWIGEXPORT SEXP R_swig_SpaceGroup_GetHallName ( SEXP self, SEXP s_swig_copy) { std::string *result = 0 ;
8893   OpenBabel::SpaceGroup *arg1 = (OpenBabel::SpaceGroup *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
8894   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8895   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__SpaceGroup, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8896     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SpaceGroup_GetHallName" "', argument " "1"" of type '" "OpenBabel::SpaceGroup const *""'");  }
8897    arg1 = reinterpret_cast< OpenBabel::SpaceGroup * >(argp1);
8898   result = (std::string *) &((OpenBabel::SpaceGroup const *)arg1)->GetHallName();
8899   r_ans = SWIG_From_std_string(static_cast< std::string >(*result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
8900   return r_ans; }
R_swig_SpaceGroup_GetId(SEXP self,SEXP s_swig_copy)8901 SWIGEXPORT SEXP R_swig_SpaceGroup_GetId ( SEXP self, SEXP s_swig_copy) { unsigned int result;
8902   OpenBabel::SpaceGroup *arg1 = (OpenBabel::SpaceGroup *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
8903   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8904   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__SpaceGroup, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8905     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SpaceGroup_GetId" "', argument " "1"" of type '" "OpenBabel::SpaceGroup const *""'");  }
8906    arg1 = reinterpret_cast< OpenBabel::SpaceGroup * >(argp1);
8907   result = (unsigned int)((OpenBabel::SpaceGroup const *)arg1)->GetId(); r_ans = SWIG_From_int(static_cast< int >(result));
8908   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_SpaceGroup_GetOriginAlternative(SEXP self,SEXP s_swig_copy)8909 SWIGEXPORT SEXP R_swig_SpaceGroup_GetOriginAlternative ( SEXP self, SEXP s_swig_copy) { unsigned int result;
8910   OpenBabel::SpaceGroup *arg1 = (OpenBabel::SpaceGroup *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
8911   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8912   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__SpaceGroup, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8913     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SpaceGroup_GetOriginAlternative" "', argument " "1"" of type '" "OpenBabel::SpaceGroup const *""'");  }
8914    arg1 = reinterpret_cast< OpenBabel::SpaceGroup * >(argp1);
8915   result = (unsigned int)((OpenBabel::SpaceGroup const *)arg1)->GetOriginAlternative();
8916   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_SpaceGroup_Transform(SEXP self,SEXP v,SEXP s_swig_copy)8917 SWIGEXPORT SEXP R_swig_SpaceGroup_Transform ( SEXP self, SEXP v, SEXP s_swig_copy) {
8918   SwigValueWrapper< std::list< OpenBabel::vector3 > > result; OpenBabel::SpaceGroup *arg1 = (OpenBabel::SpaceGroup *) 0 ;
8919   OpenBabel::vector3 *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0;
8920   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8921   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__SpaceGroup, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8922     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SpaceGroup_Transform" "', argument " "1"" of type '" "OpenBabel::SpaceGroup const *""'");  }
8923    arg1 = reinterpret_cast< OpenBabel::SpaceGroup * >(argp1);
8924   res2 = SWIG_R_ConvertPtr(v, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
8925     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "SpaceGroup_Transform" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'");  }
8926    if (!argp2) {
8927     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "SpaceGroup_Transform" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'"); }
8928    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2);
8929   result = ((OpenBabel::SpaceGroup const *)arg1)->Transform((OpenBabel::vector3 const &)*arg2);
8930   r_ans = SWIG_R_NewPointerObj((new std::list< OpenBabel::vector3 >(static_cast< const std::list< OpenBabel::vector3 >& >(result))), SWIGTYPE_p_std__listT_OpenBabel__vector3_t, SWIG_POINTER_OWN |  0 );
8931   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_SpaceGroup_BeginTransform(SEXP self,SEXP i)8932 SWIGEXPORT SEXP R_swig_SpaceGroup_BeginTransform ( SEXP self, SEXP i) { OpenBabel::transform3d *result = 0 ;
8933   OpenBabel::SpaceGroup *arg1 = (OpenBabel::SpaceGroup *) 0 ; OpenBabel::transform3dIterator *arg2 = 0 ; void *argp1 = 0 ;
8934   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
8935   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__SpaceGroup, 0 |  0 );
8936   if (!SWIG_IsOK(res1)) {
8937     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SpaceGroup_BeginTransform" "', argument " "1"" of type '" "OpenBabel::SpaceGroup const *""'");  }
8938    arg1 = reinterpret_cast< OpenBabel::SpaceGroup * >(argp1);
8939   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__listT_OpenBabel__transform3d_p_t__const_iterator,  0 );
8940   if (!SWIG_IsOK(res2)) {
8941     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "SpaceGroup_BeginTransform" "', argument " "2"" of type '" "OpenBabel::transform3dIterator &""'");  }
8942    if (!argp2) {
8943     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "SpaceGroup_BeginTransform" "', argument " "2"" of type '" "OpenBabel::transform3dIterator &""'"); }
8944    arg2 = reinterpret_cast< OpenBabel::transform3dIterator * >(argp2);
8945   result = (OpenBabel::transform3d *)((OpenBabel::SpaceGroup const *)arg1)->BeginTransform(*arg2);
8946   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__transform3d, R_SWIG_EXTERNAL |  0 );
8947   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_SpaceGroup_NextTransform(SEXP self,SEXP i)8948 SWIGEXPORT SEXP R_swig_SpaceGroup_NextTransform ( SEXP self, SEXP i) { OpenBabel::transform3d *result = 0 ;
8949   OpenBabel::SpaceGroup *arg1 = (OpenBabel::SpaceGroup *) 0 ; OpenBabel::transform3dIterator *arg2 = 0 ; void *argp1 = 0 ;
8950   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
8951   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__SpaceGroup, 0 |  0 );
8952   if (!SWIG_IsOK(res1)) {
8953     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SpaceGroup_NextTransform" "', argument " "1"" of type '" "OpenBabel::SpaceGroup const *""'");  }
8954    arg1 = reinterpret_cast< OpenBabel::SpaceGroup * >(argp1);
8955   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__listT_OpenBabel__transform3d_p_t__const_iterator,  0 );
8956   if (!SWIG_IsOK(res2)) {
8957     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "SpaceGroup_NextTransform" "', argument " "2"" of type '" "OpenBabel::transform3dIterator &""'");  }
8958    if (!argp2) {
8959     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "SpaceGroup_NextTransform" "', argument " "2"" of type '" "OpenBabel::transform3dIterator &""'"); }
8960    arg2 = reinterpret_cast< OpenBabel::transform3dIterator * >(argp2);
8961   result = (OpenBabel::transform3d *)((OpenBabel::SpaceGroup const *)arg1)->NextTransform(*arg2);
8962   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__transform3d, R_SWIG_EXTERNAL |  0 );
8963   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_SpaceGroup_GetSpaceGroup__SWIG_0(SEXP name)8964 SWIGEXPORT SEXP R_swig_SpaceGroup_GetSpaceGroup__SWIG_0 ( SEXP name) { OpenBabel::SpaceGroup *result = 0 ;
8965   char *arg1 = (char *) 0 ; int res1 ; char *buf1 = 0 ; int alloc1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
8966   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_AsCharPtrAndSize(name, &buf1, NULL, &alloc1); if (!SWIG_IsOK(res1)) {
8967     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SpaceGroup_GetSpaceGroup" "', argument " "1"" of type '" "char const *""'"); }
8968    arg1 = reinterpret_cast< char * >(buf1);
8969   result = (OpenBabel::SpaceGroup *)OpenBabel::SpaceGroup::GetSpaceGroup((char const *)arg1);
8970   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__SpaceGroup, R_SWIG_EXTERNAL |  0 );
8971   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_SpaceGroup_GetSpaceGroup__SWIG_1(SEXP name)8972 SWIGEXPORT SEXP R_swig_SpaceGroup_GetSpaceGroup__SWIG_1 ( SEXP name) { OpenBabel::SpaceGroup *result = 0 ;
8973   std::string *arg1 = 0 ; int res1 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
8974   VMAXTYPE r_vmax = vmaxget() ; { std::string *ptr = (std::string *)0; res1 = SWIG_AsPtr_std_string(name, &ptr);
8975     if (!SWIG_IsOK(res1)) {
8976       SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SpaceGroup_GetSpaceGroup" "', argument " "1"" of type '" "std::string const &""'"); }
8977      if (!ptr) {
8978       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "SpaceGroup_GetSpaceGroup" "', argument " "1"" of type '" "std::string const &""'"); }
8979      arg1 = ptr; }  result = (OpenBabel::SpaceGroup *)OpenBabel::SpaceGroup::GetSpaceGroup((std::string const &)*arg1);
8980   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__SpaceGroup, R_SWIG_EXTERNAL |  0 );
8981   if (SWIG_IsNewObj(res1)) delete arg1; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_SpaceGroup_GetSpaceGroup__SWIG_2(SEXP id)8982 SWIGEXPORT SEXP R_swig_SpaceGroup_GetSpaceGroup__SWIG_2 ( SEXP id) { OpenBabel::SpaceGroup *result = 0 ; unsigned int arg1 ;
8983   int val1 ; int ecode1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8984   ecode1 = SWIG_AsVal_int(id, &val1); if (!SWIG_IsOK(ecode1)) {
8985     SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "SpaceGroup_GetSpaceGroup" "', argument " "1"" of type '" "unsigned int""'"); }
8986     arg1 = static_cast< unsigned int >(val1); result = (OpenBabel::SpaceGroup *)OpenBabel::SpaceGroup::GetSpaceGroup(arg1);
8987   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__SpaceGroup, R_SWIG_EXTERNAL |  0 );
8988   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_SpaceGroup_Find(SEXP group)8989 SWIGEXPORT SEXP R_swig_SpaceGroup_Find ( SEXP group) { OpenBabel::SpaceGroup *result = 0 ;
8990   OpenBabel::SpaceGroup *arg1 = (OpenBabel::SpaceGroup *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
8991   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
8992   res1 = SWIG_R_ConvertPtr(group, &argp1, SWIGTYPE_p_OpenBabel__SpaceGroup, 0 |  0 ); if (!SWIG_IsOK(res1)) {
8993     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SpaceGroup_Find" "', argument " "1"" of type '" "OpenBabel::SpaceGroup *""'");  }
8994    arg1 = reinterpret_cast< OpenBabel::SpaceGroup * >(argp1);
8995   result = (OpenBabel::SpaceGroup *)OpenBabel::SpaceGroup::Find(arg1);
8996   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__SpaceGroup, R_SWIG_EXTERNAL |  0 );
8997   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_SpaceGroup_IsValid(SEXP self,SEXP s_swig_copy)8998 SWIGEXPORT SEXP R_swig_SpaceGroup_IsValid ( SEXP self, SEXP s_swig_copy) { bool result;
8999   OpenBabel::SpaceGroup *arg1 = (OpenBabel::SpaceGroup *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
9000   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9001   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__SpaceGroup, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9002     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SpaceGroup_IsValid" "', argument " "1"" of type '" "OpenBabel::SpaceGroup const *""'");  }
9003    arg1 = reinterpret_cast< OpenBabel::SpaceGroup * >(argp1); result = (bool)((OpenBabel::SpaceGroup const *)arg1)->IsValid();
9004   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBReleaseVersion(SEXP s_swig_copy)9005 SWIGEXPORT SEXP R_swig_OBReleaseVersion ( SEXP s_swig_copy) { std::string result; unsigned int r_nprotect = 0;
9006   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = OpenBabel::OBReleaseVersion();
9007   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
9008   return r_ans; }
R_swig_new_OBGenericData__SWIG_0(SEXP attr,SEXP type,SEXP source)9009 SWIGEXPORT SEXP R_swig_new_OBGenericData__SWIG_0 ( SEXP attr, SEXP type, SEXP source) { OpenBabel::OBGenericData *result = 0 ;
9010   std::string arg1 ; unsigned int arg2 ; OpenBabel::DataOrigin arg3 ; int val2 ; int ecode2 = 0 ; int val3 ; int ecode3 = 0 ;
9011   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; { std::string *ptr = (std::string *)0;
9012     int res = SWIG_AsPtr_std_string(attr, &ptr); if (!SWIG_IsOK(res) || !ptr) {
9013       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "new_OBGenericData" "', argument " "1"" of type '" "std::string const""'");  }
9014      arg1 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  ecode2 = SWIG_AsVal_int(type, &val2); if (!SWIG_IsOK(ecode2)) {
9015     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "new_OBGenericData" "', argument " "2"" of type '" "unsigned int""'"); }
9016     arg2 = static_cast< unsigned int >(val2); ecode3 = SWIG_AsVal_int(source, &val3); if (!SWIG_IsOK(ecode3)) {
9017     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "new_OBGenericData" "', argument " "3"" of type '" "OpenBabel::DataOrigin""'"); }
9018     arg3 = static_cast< OpenBabel::DataOrigin >(val3);
9019   result = (OpenBabel::OBGenericData *)new OpenBabel::OBGenericData(arg1,arg2,arg3);
9020   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGenericData, R_SWIG_OWNER |  0 );
9021   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBGenericData__SWIG_1(SEXP attr,SEXP type)9022 SWIGEXPORT SEXP R_swig_new_OBGenericData__SWIG_1 ( SEXP attr, SEXP type) { OpenBabel::OBGenericData *result = 0 ;
9023   std::string arg1 ; unsigned int arg2 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
9024   VMAXTYPE r_vmax = vmaxget() ; { std::string *ptr = (std::string *)0; int res = SWIG_AsPtr_std_string(attr, &ptr);
9025     if (!SWIG_IsOK(res) || !ptr) {
9026       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "new_OBGenericData" "', argument " "1"" of type '" "std::string const""'");  }
9027      arg1 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  ecode2 = SWIG_AsVal_int(type, &val2); if (!SWIG_IsOK(ecode2)) {
9028     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "new_OBGenericData" "', argument " "2"" of type '" "unsigned int""'"); }
9029     arg2 = static_cast< unsigned int >(val2); result = (OpenBabel::OBGenericData *)new OpenBabel::OBGenericData(arg1,arg2);
9030   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGenericData, R_SWIG_OWNER |  0 );
9031   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBGenericData__SWIG_2(SEXP attr)9032 SWIGEXPORT SEXP R_swig_new_OBGenericData__SWIG_2 ( SEXP attr) { OpenBabel::OBGenericData *result = 0 ; std::string arg1 ;
9033   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; { std::string *ptr = (std::string *)0;
9034     int res = SWIG_AsPtr_std_string(attr, &ptr); if (!SWIG_IsOK(res) || !ptr) {
9035       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "new_OBGenericData" "', argument " "1"" of type '" "std::string const""'");  }
9036      arg1 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }
9037   result = (OpenBabel::OBGenericData *)new OpenBabel::OBGenericData(arg1);
9038   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGenericData, R_SWIG_OWNER |  0 );
9039   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBGenericData__SWIG_3()9040 SWIGEXPORT SEXP R_swig_new_OBGenericData__SWIG_3 ( ) { OpenBabel::OBGenericData *result = 0 ; unsigned int r_nprotect = 0;
9041   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBGenericData *)new OpenBabel::OBGenericData();
9042   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGenericData, R_SWIG_OWNER |  0 );
9043   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBGenericData_Clone(SEXP self,SEXP s_arg2)9044 SWIGEXPORT SEXP R_swig_OBGenericData_Clone ( SEXP self, SEXP s_arg2) { OpenBabel::OBGenericData *result = 0 ;
9045   OpenBabel::OBGenericData *arg1 = (OpenBabel::OBGenericData *) 0 ; OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ;
9046   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
9047   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 );
9048   if (!SWIG_IsOK(res1)) {
9049     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGenericData_Clone" "', argument " "1"" of type '" "OpenBabel::OBGenericData const *""'");  }
9050    arg1 = reinterpret_cast< OpenBabel::OBGenericData * >(argp1);
9051   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res2)) {
9052     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBGenericData_Clone" "', argument " "2"" of type '" "OpenBabel::OBBase *""'");  }
9053    arg2 = reinterpret_cast< OpenBabel::OBBase * >(argp2);
9054   result = (OpenBabel::OBGenericData *)((OpenBabel::OBGenericData const *)arg1)->Clone(arg2);
9055   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGenericData, R_SWIG_EXTERNAL |  0 );
9056   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBGenericData(SEXP self)9057 SWIGEXPORT SEXP R_swig_delete_OBGenericData ( SEXP self) { OpenBabel::OBGenericData *arg1 = (OpenBabel::OBGenericData *) 0 ;
9058   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9059   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBGenericData, SWIG_POINTER_DISOWN |  0 );
9060   if (!SWIG_IsOK(res1)) {
9061     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBGenericData" "', argument " "1"" of type '" "OpenBabel::OBGenericData *""'");  }
9062    arg1 = reinterpret_cast< OpenBabel::OBGenericData * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
9063   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBGenericData_SetAttribute(SEXP self,SEXP v)9064 SWIGEXPORT SEXP R_swig_OBGenericData_SetAttribute ( SEXP self, SEXP v) {
9065   OpenBabel::OBGenericData *arg1 = (OpenBabel::OBGenericData *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
9066   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9067   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9068     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGenericData_SetAttribute" "', argument " "1"" of type '" "OpenBabel::OBGenericData *""'");  }
9069    arg1 = reinterpret_cast< OpenBabel::OBGenericData * >(argp1); { std::string *ptr = (std::string *)0;
9070     res2 = SWIG_AsPtr_std_string(v, &ptr); if (!SWIG_IsOK(res2)) {
9071       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBGenericData_SetAttribute" "', argument " "2"" of type '" "std::string const &""'"); }
9072      if (!ptr) {
9073       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBGenericData_SetAttribute" "', argument " "2"" of type '" "std::string const &""'"); }
9074      arg2 = ptr; }  (arg1)->SetAttribute((std::string const &)*arg2); r_ans = R_NilValue; if (SWIG_IsNewObj(res2)) delete arg2;
9075   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBGenericData_SetOrigin(SEXP self,SEXP s)9076 SWIGEXPORT SEXP R_swig_OBGenericData_SetOrigin ( SEXP self, SEXP s) {
9077   OpenBabel::OBGenericData *arg1 = (OpenBabel::OBGenericData *) 0 ; OpenBabel::DataOrigin arg2 ; void *argp1 = 0 ;
9078   int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
9079   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 );
9080   if (!SWIG_IsOK(res1)) {
9081     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGenericData_SetOrigin" "', argument " "1"" of type '" "OpenBabel::OBGenericData *""'");  }
9082    arg1 = reinterpret_cast< OpenBabel::OBGenericData * >(argp1); ecode2 = SWIG_AsVal_int(s, &val2); if (!SWIG_IsOK(ecode2)) {
9083     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBGenericData_SetOrigin" "', argument " "2"" of type '" "OpenBabel::DataOrigin""'"); }
9084     arg2 = static_cast< OpenBabel::DataOrigin >(val2); (arg1)->SetOrigin(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
9085   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBGenericData_GetAttribute(SEXP self,SEXP s_swig_copy)9086 SWIGEXPORT SEXP R_swig_OBGenericData_GetAttribute ( SEXP self, SEXP s_swig_copy) { std::string *result = 0 ;
9087   OpenBabel::OBGenericData *arg1 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
9088   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9089   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9090     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGenericData_GetAttribute" "', argument " "1"" of type '" "OpenBabel::OBGenericData const *""'");  }
9091    arg1 = reinterpret_cast< OpenBabel::OBGenericData * >(argp1);
9092   result = (std::string *) &((OpenBabel::OBGenericData const *)arg1)->GetAttribute();
9093   r_ans = SWIG_From_std_string(static_cast< std::string >(*result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
9094   return r_ans; }
R_swig_OBGenericData_GetDataType(SEXP self,SEXP s_swig_copy)9095 SWIGEXPORT SEXP R_swig_OBGenericData_GetDataType ( SEXP self, SEXP s_swig_copy) { unsigned int result;
9096   OpenBabel::OBGenericData *arg1 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
9097   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9098   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9099     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGenericData_GetDataType" "', argument " "1"" of type '" "OpenBabel::OBGenericData const *""'");  }
9100    arg1 = reinterpret_cast< OpenBabel::OBGenericData * >(argp1);
9101   result = (unsigned int)((OpenBabel::OBGenericData const *)arg1)->GetDataType();
9102   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBGenericData_GetValue(SEXP self,SEXP s_swig_copy)9103 SWIGEXPORT SEXP R_swig_OBGenericData_GetValue ( SEXP self, SEXP s_swig_copy) { std::string *result = 0 ;
9104   OpenBabel::OBGenericData *arg1 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
9105   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9106   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9107     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGenericData_GetValue" "', argument " "1"" of type '" "OpenBabel::OBGenericData const *""'");  }
9108    arg1 = reinterpret_cast< OpenBabel::OBGenericData * >(argp1);
9109   result = (std::string *) &((OpenBabel::OBGenericData const *)arg1)->GetValue();
9110   r_ans = SWIG_From_std_string(static_cast< std::string >(*result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
9111   return r_ans; }
R_swig_OBGenericData_GetOrigin(SEXP self,SEXP s_swig_copy)9112 SWIGEXPORT SEXP R_swig_OBGenericData_GetOrigin ( SEXP self, SEXP s_swig_copy) { OpenBabel::DataOrigin result;
9113   OpenBabel::OBGenericData *arg1 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
9114   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9115   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9116     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGenericData_GetOrigin" "', argument " "1"" of type '" "OpenBabel::OBGenericData const *""'");  }
9117    arg1 = reinterpret_cast< OpenBabel::OBGenericData * >(argp1);
9118   result = (OpenBabel::DataOrigin)((OpenBabel::OBGenericData const *)arg1)->GetOrigin();
9119   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBBase(SEXP self)9120 SWIGEXPORT SEXP R_swig_delete_OBBase ( SEXP self) { OpenBabel::OBBase *arg1 = (OpenBabel::OBBase *) 0 ; void *argp1 = 0 ;
9121   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9122   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBase, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
9123     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBBase" "', argument " "1"" of type '" "OpenBabel::OBBase *""'");  }
9124    arg1 = reinterpret_cast< OpenBabel::OBBase * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
9125   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBBase_Clear(SEXP self,SEXP s_swig_copy)9126 SWIGEXPORT SEXP R_swig_OBBase_Clear ( SEXP self, SEXP s_swig_copy) { bool result;
9127   OpenBabel::OBBase *arg1 = (OpenBabel::OBBase *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
9128   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9129   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9130     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBase_Clear" "', argument " "1"" of type '" "OpenBabel::OBBase *""'");  }
9131    arg1 = reinterpret_cast< OpenBabel::OBBase * >(argp1); result = (bool)(arg1)->Clear(); r_ans = Rf_ScalarLogical(result);
9132   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBase_DoTransformations(SEXP self,SEXP s_arg2,SEXP s_arg3)9133 SWIGEXPORT SEXP R_swig_OBBase_DoTransformations ( SEXP self, SEXP s_arg2, SEXP s_arg3) { OpenBabel::OBBase *result = 0 ;
9134   OpenBabel::OBBase *arg1 = (OpenBabel::OBBase *) 0 ;
9135   std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > *arg2 = (std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > *) 0 ;
9136   OpenBabel::OBConversion *arg3 = (OpenBabel::OBConversion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
9137   int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
9138   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
9139   if (!SWIG_IsOK(res1)) {
9140     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBase_DoTransformations" "', argument " "1"" of type '" "OpenBabel::OBBase *""'");  }
9141    arg1 = reinterpret_cast< OpenBabel::OBBase * >(argp1);
9142   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_std__mapT_std__string_std__string_std__lessT_std__string_t_std__allocatorT_std__pairT_std__string_const_std__string_t_t_t, 0 |  0 );
9143   if (!SWIG_IsOK(res2)) {
9144     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBBase_DoTransformations" "', argument " "2"" of type '" "std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > const *""'");  }
9145 
9146   arg2 = reinterpret_cast< std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > * >(argp2);
9147   res3 = SWIG_R_ConvertPtr(s_arg3, &argp3, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res3)) {
9148     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBBase_DoTransformations" "', argument " "3"" of type '" "OpenBabel::OBConversion *""'");  }
9149    arg3 = reinterpret_cast< OpenBabel::OBConversion * >(argp3);
9150   result = (OpenBabel::OBBase *)(arg1)->DoTransformations((std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > const *)arg2,arg3);
9151   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBase, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
9152   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBase_ClassDescription()9153 SWIGEXPORT SEXP R_swig_OBBase_ClassDescription ( ) { char *result = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
9154   VMAXTYPE r_vmax = vmaxget() ; result = (char *)OpenBabel::OBBase::ClassDescription();
9155   r_ans = SWIG_FromCharPtr((const char *)result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBase_GetTitle__SWIG_0(SEXP self,SEXP replaceNewlines)9156 SWIGEXPORT SEXP R_swig_OBBase_GetTitle__SWIG_0 ( SEXP self, SEXP replaceNewlines) { char *result = 0 ;
9157   OpenBabel::OBBase *arg1 = (OpenBabel::OBBase *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
9158   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9159   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9160     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBase_GetTitle" "', argument " "1"" of type '" "OpenBabel::OBBase const *""'");  }
9161    arg1 = reinterpret_cast< OpenBabel::OBBase * >(argp1); arg2 = LOGICAL(replaceNewlines)[0] ? true : false;
9162   result = (char *)((OpenBabel::OBBase const *)arg1)->GetTitle(arg2); r_ans = SWIG_FromCharPtr((const char *)result);
9163   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBase_GetTitle__SWIG_1(SEXP self)9164 SWIGEXPORT SEXP R_swig_OBBase_GetTitle__SWIG_1 ( SEXP self) { char *result = 0 ;
9165   OpenBabel::OBBase *arg1 = (OpenBabel::OBBase *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
9166   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9167   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9168     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBase_GetTitle" "', argument " "1"" of type '" "OpenBabel::OBBase const *""'");  }
9169    arg1 = reinterpret_cast< OpenBabel::OBBase * >(argp1); result = (char *)((OpenBabel::OBBase const *)arg1)->GetTitle();
9170   r_ans = SWIG_FromCharPtr((const char *)result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBase_SetTitle(SEXP self,SEXP s_arg2)9171 SWIGEXPORT SEXP R_swig_OBBase_SetTitle ( SEXP self, SEXP s_arg2) { OpenBabel::OBBase *arg1 = (OpenBabel::OBBase *) 0 ;
9172   char *arg2 = (char *) 0 ; void *argp1 = 0 ; int res1 = 0 ; int res2 ; char *buf2 = 0 ; int alloc2 = 0 ;
9173   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9174   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9175     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBase_SetTitle" "', argument " "1"" of type '" "OpenBabel::OBBase *""'");  }
9176    arg1 = reinterpret_cast< OpenBabel::OBBase * >(argp1); res2 = SWIG_AsCharPtrAndSize(s_arg2, &buf2, NULL, &alloc2);
9177   if (!SWIG_IsOK(res2)) {
9178     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBBase_SetTitle" "', argument " "2"" of type '" "char const *""'"); }
9179    arg2 = reinterpret_cast< char * >(buf2); (arg1)->SetTitle((char const *)arg2); r_ans = R_NilValue;
9180   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBase_HasData__SWIG_0(SEXP self,SEXP s_arg2,SEXP s_swig_copy)9181 SWIGEXPORT SEXP R_swig_OBBase_HasData__SWIG_0 ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
9182   OpenBabel::OBBase *arg1 = (OpenBabel::OBBase *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
9183   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9184   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9185     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBase_HasData" "', argument " "1"" of type '" "OpenBabel::OBBase *""'");  }
9186    arg1 = reinterpret_cast< OpenBabel::OBBase * >(argp1); { std::string *ptr = (std::string *)0;
9187     res2 = SWIG_AsPtr_std_string(s_arg2, &ptr); if (!SWIG_IsOK(res2)) {
9188       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBBase_HasData" "', argument " "2"" of type '" "std::string const &""'"); }
9189      if (!ptr) {
9190       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBBase_HasData" "', argument " "2"" of type '" "std::string const &""'"); }
9191      arg2 = ptr; }  result = (bool)(arg1)->HasData((std::string const &)*arg2); r_ans = Rf_ScalarLogical(result);
9192   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBase_HasData__SWIG_1(SEXP self,SEXP type,SEXP s_swig_copy)9193 SWIGEXPORT SEXP R_swig_OBBase_HasData__SWIG_1 ( SEXP self, SEXP type, SEXP s_swig_copy) { bool result;
9194   OpenBabel::OBBase *arg1 = (OpenBabel::OBBase *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ;
9195   int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9196   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9197     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBase_HasData" "', argument " "1"" of type '" "OpenBabel::OBBase *""'");  }
9198    arg1 = reinterpret_cast< OpenBabel::OBBase * >(argp1); ecode2 = SWIG_AsVal_int(type, &val2); if (!SWIG_IsOK(ecode2)) {
9199     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBBase_HasData" "', argument " "2"" of type '" "unsigned int""'"); }
9200     arg2 = static_cast< unsigned int >(val2); result = (bool)(arg1)->HasData(arg2); r_ans = Rf_ScalarLogical(result);
9201   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBase_DeleteData__SWIG_0(SEXP self,SEXP type)9202 SWIGEXPORT SEXP R_swig_OBBase_DeleteData__SWIG_0 ( SEXP self, SEXP type) { OpenBabel::OBBase *arg1 = (OpenBabel::OBBase *) 0 ;
9203   unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0;
9204   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9205   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9206     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBase_DeleteData" "', argument " "1"" of type '" "OpenBabel::OBBase *""'");  }
9207    arg1 = reinterpret_cast< OpenBabel::OBBase * >(argp1); ecode2 = SWIG_AsVal_int(type, &val2); if (!SWIG_IsOK(ecode2)) {
9208     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBBase_DeleteData" "', argument " "2"" of type '" "unsigned int""'"); }
9209     arg2 = static_cast< unsigned int >(val2); (arg1)->DeleteData(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
9210   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBase_DeleteData__SWIG_1(SEXP self,SEXP s_arg2)9211 SWIGEXPORT SEXP R_swig_OBBase_DeleteData__SWIG_1 ( SEXP self, SEXP s_arg2) { OpenBabel::OBBase *arg1 = (OpenBabel::OBBase *) 0 ;
9212   OpenBabel::OBGenericData *arg2 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
9213   int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9214   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9215     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBase_DeleteData" "', argument " "1"" of type '" "OpenBabel::OBBase *""'");  }
9216    arg1 = reinterpret_cast< OpenBabel::OBBase * >(argp1);
9217   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res2)) {
9218     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBBase_DeleteData" "', argument " "2"" of type '" "OpenBabel::OBGenericData *""'");  }
9219    arg2 = reinterpret_cast< OpenBabel::OBGenericData * >(argp2); (arg1)->DeleteData(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
9220   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBase_DeleteData__SWIG_2(SEXP self,SEXP s_arg2)9221 SWIGEXPORT SEXP R_swig_OBBase_DeleteData__SWIG_2 ( SEXP self, SEXP s_arg2) { OpenBabel::OBBase *arg1 = (OpenBabel::OBBase *) 0 ;
9222   std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > *arg2 = 0 ; void *argp1 = 0 ;
9223   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
9224   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
9225   if (!SWIG_IsOK(res1)) {
9226     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBase_DeleteData" "', argument " "1"" of type '" "OpenBabel::OBBase *""'");  }
9227    arg1 = reinterpret_cast< OpenBabel::OBBase * >(argp1);
9228   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t,  0 );
9229   if (!SWIG_IsOK(res2)) {
9230     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBBase_DeleteData" "', argument " "2"" of type '" "std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > &""'");  }
9231    if (!argp2) {
9232     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBBase_DeleteData" "', argument " "2"" of type '" "std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > &""'"); }
9233    arg2 = reinterpret_cast< std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > * >(argp2);
9234   (arg1)->DeleteData(*arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBase_DeleteData__SWIG_3(SEXP self,SEXP s,SEXP s_swig_copy)9235 SWIGEXPORT SEXP R_swig_OBBase_DeleteData__SWIG_3 ( SEXP self, SEXP s, SEXP s_swig_copy) { bool result;
9236   OpenBabel::OBBase *arg1 = (OpenBabel::OBBase *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
9237   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9238   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9239     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBase_DeleteData" "', argument " "1"" of type '" "OpenBabel::OBBase *""'");  }
9240    arg1 = reinterpret_cast< OpenBabel::OBBase * >(argp1); { std::string *ptr = (std::string *)0;
9241     res2 = SWIG_AsPtr_std_string(s, &ptr); if (!SWIG_IsOK(res2)) {
9242       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBBase_DeleteData" "', argument " "2"" of type '" "std::string const &""'"); }
9243      if (!ptr) {
9244       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBBase_DeleteData" "', argument " "2"" of type '" "std::string const &""'"); }
9245      arg2 = ptr; }  result = (bool)(arg1)->DeleteData((std::string const &)*arg2); r_ans = Rf_ScalarLogical(result);
9246   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBase_CloneData(SEXP self,SEXP d)9247 SWIGEXPORT SEXP R_swig_OBBase_CloneData ( SEXP self, SEXP d) { OpenBabel::OBBase *arg1 = (OpenBabel::OBBase *) 0 ;
9248   OpenBabel::OBGenericData *arg2 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
9249   int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9250   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9251     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBase_CloneData" "', argument " "1"" of type '" "OpenBabel::OBBase *""'");  }
9252    arg1 = reinterpret_cast< OpenBabel::OBBase * >(argp1);
9253   res2 = SWIG_R_ConvertPtr(d, &argp2, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res2)) {
9254     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBBase_CloneData" "', argument " "2"" of type '" "OpenBabel::OBGenericData *""'");  }
9255    arg2 = reinterpret_cast< OpenBabel::OBGenericData * >(argp2); (arg1)->CloneData(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
9256   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBase_DataSize(SEXP self,SEXP s_swig_copy)9257 SWIGEXPORT SEXP R_swig_OBBase_DataSize ( SEXP self, SEXP s_swig_copy) { size_t result;
9258   OpenBabel::OBBase *arg1 = (OpenBabel::OBBase *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
9259   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9260   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9261     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBase_DataSize" "', argument " "1"" of type '" "OpenBabel::OBBase const *""'");  }
9262    arg1 = reinterpret_cast< OpenBabel::OBBase * >(argp1); result = ((OpenBabel::OBBase const *)arg1)->DataSize();
9263   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBase_GetData__SWIG_0(SEXP self,SEXP type)9264 SWIGEXPORT SEXP R_swig_OBBase_GetData__SWIG_0 ( SEXP self, SEXP type) { OpenBabel::OBGenericData *result = 0 ;
9265   OpenBabel::OBBase *arg1 = (OpenBabel::OBBase *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ;
9266   int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9267   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9268     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBase_GetData" "', argument " "1"" of type '" "OpenBabel::OBBase *""'");  }
9269    arg1 = reinterpret_cast< OpenBabel::OBBase * >(argp1); ecode2 = SWIG_AsVal_int(type, &val2); if (!SWIG_IsOK(ecode2)) {
9270     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBBase_GetData" "', argument " "2"" of type '" "unsigned int""'"); }
9271     arg2 = static_cast< unsigned int >(val2); result = (OpenBabel::OBGenericData *)(arg1)->GetData(arg2);
9272   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGenericData, R_SWIG_EXTERNAL |  0 );
9273   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBase_GetData__SWIG_1(SEXP self,SEXP s_arg2)9274 SWIGEXPORT SEXP R_swig_OBBase_GetData__SWIG_1 ( SEXP self, SEXP s_arg2) { OpenBabel::OBGenericData *result = 0 ;
9275   OpenBabel::OBBase *arg1 = (OpenBabel::OBBase *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
9276   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9277   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9278     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBase_GetData" "', argument " "1"" of type '" "OpenBabel::OBBase *""'");  }
9279    arg1 = reinterpret_cast< OpenBabel::OBBase * >(argp1); { std::string *ptr = (std::string *)0;
9280     res2 = SWIG_AsPtr_std_string(s_arg2, &ptr); if (!SWIG_IsOK(res2)) {
9281       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBBase_GetData" "', argument " "2"" of type '" "std::string const &""'"); }
9282      if (!ptr) {
9283       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBBase_GetData" "', argument " "2"" of type '" "std::string const &""'"); }
9284      arg2 = ptr; }  result = (OpenBabel::OBGenericData *)(arg1)->GetData((std::string const &)*arg2);
9285   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGenericData, R_SWIG_EXTERNAL |  0 );
9286   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBase_GetAllData(SEXP self,SEXP type,SEXP s_swig_copy)9287 SWIGEXPORT SEXP R_swig_OBBase_GetAllData ( SEXP self, SEXP type, SEXP s_swig_copy) {
9288   std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > result;
9289   OpenBabel::OBBase *arg1 = (OpenBabel::OBBase *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ;
9290   int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9291   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9292     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBase_GetAllData" "', argument " "1"" of type '" "OpenBabel::OBBase *""'");  }
9293    arg1 = reinterpret_cast< OpenBabel::OBBase * >(argp1); ecode2 = SWIG_AsVal_int(type, &val2); if (!SWIG_IsOK(ecode2)) {
9294     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBBase_GetAllData" "', argument " "2"" of type '" "unsigned int""'"); }
9295     arg2 = static_cast< unsigned int >(val2); result = (arg1)->GetAllData(arg2);
9296   r_ans = swig::from(static_cast< std::vector<OpenBabel::OBGenericData*,std::allocator< OpenBabel::OBGenericData * > > >(result));
9297   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBase_GetData__SWIG_2(SEXP self,SEXP s_swig_copy)9298 SWIGEXPORT SEXP R_swig_OBBase_GetData__SWIG_2 ( SEXP self, SEXP s_swig_copy) {
9299   std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > *result = 0 ;
9300   OpenBabel::OBBase *arg1 = (OpenBabel::OBBase *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
9301   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9302   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9303     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBase_GetData" "', argument " "1"" of type '" "OpenBabel::OBBase *""'");  }
9304    arg1 = reinterpret_cast< OpenBabel::OBBase * >(argp1);
9305   result = (std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > *) &(arg1)->GetData();
9306   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t, R_SWIG_EXTERNAL |  0 );
9307   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBase_GetData__SWIG_3(SEXP self,SEXP source,SEXP s_swig_copy)9308 SWIGEXPORT SEXP R_swig_OBBase_GetData__SWIG_3 ( SEXP self, SEXP source, SEXP s_swig_copy) {
9309   std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > result;
9310   OpenBabel::OBBase *arg1 = (OpenBabel::OBBase *) 0 ; OpenBabel::DataOrigin arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ;
9311   int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9312   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9313     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBase_GetData" "', argument " "1"" of type '" "OpenBabel::OBBase *""'");  }
9314    arg1 = reinterpret_cast< OpenBabel::OBBase * >(argp1); ecode2 = SWIG_AsVal_int(source, &val2); if (!SWIG_IsOK(ecode2)) {
9315     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBBase_GetData" "', argument " "2"" of type '" "OpenBabel::DataOrigin""'"); }
9316     arg2 = static_cast< OpenBabel::DataOrigin >(val2); result = (arg1)->GetData(arg2);
9317   r_ans = swig::from(static_cast< std::vector<OpenBabel::OBGenericData*,std::allocator< OpenBabel::OBGenericData * > > >(result));
9318   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBase_BeginData(SEXP self,SEXP s_swig_copy)9319 SWIGEXPORT SEXP R_swig_OBBase_BeginData ( SEXP self, SEXP s_swig_copy) {
9320   SwigValueWrapper< std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > >::iterator > result;
9321   OpenBabel::OBBase *arg1 = (OpenBabel::OBBase *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
9322   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9323   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9324     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBase_BeginData" "', argument " "1"" of type '" "OpenBabel::OBBase *""'");  }
9325    arg1 = reinterpret_cast< OpenBabel::OBBase * >(argp1); result = (arg1)->BeginData();
9326   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBDataIterator(static_cast< const OpenBabel::OBDataIterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
9327   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBase_EndData(SEXP self,SEXP s_swig_copy)9328 SWIGEXPORT SEXP R_swig_OBBase_EndData ( SEXP self, SEXP s_swig_copy) {
9329   SwigValueWrapper< std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > >::iterator > result;
9330   OpenBabel::OBBase *arg1 = (OpenBabel::OBBase *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
9331   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9332   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9333     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBase_EndData" "', argument " "1"" of type '" "OpenBabel::OBBase *""'");  }
9334    arg1 = reinterpret_cast< OpenBabel::OBBase * >(argp1); result = (arg1)->EndData();
9335   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBDataIterator(static_cast< const OpenBabel::OBDataIterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
9336   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBBase()9337 SWIGEXPORT SEXP R_swig_new_OBBase ( ) { OpenBabel::OBBase *result = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
9338   VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBBase *)new OpenBabel::OBBase();
9339   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBase, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
9340   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBCommentData__SWIG_0()9341 SWIGEXPORT SEXP R_swig_new_OBCommentData__SWIG_0 ( ) { OpenBabel::OBCommentData *result = 0 ; unsigned int r_nprotect = 0;
9342   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBCommentData *)new OpenBabel::OBCommentData();
9343   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBCommentData, R_SWIG_OWNER |  0 );
9344   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBCommentData__SWIG_1(SEXP s_arg1)9345 SWIGEXPORT SEXP R_swig_new_OBCommentData__SWIG_1 ( SEXP s_arg1) { OpenBabel::OBCommentData *result = 0 ;
9346   OpenBabel::OBCommentData *arg1 = 0 ; void *argp1 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
9347   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(s_arg1, &argp1, SWIGTYPE_p_OpenBabel__OBCommentData,  0 );
9348   if (!SWIG_IsOK(res1)) {
9349     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBCommentData" "', argument " "1"" of type '" "OpenBabel::OBCommentData const &""'");  }
9350    if (!argp1) {
9351     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBCommentData" "', argument " "1"" of type '" "OpenBabel::OBCommentData const &""'"); }
9352    arg1 = reinterpret_cast< OpenBabel::OBCommentData * >(argp1);
9353   result = (OpenBabel::OBCommentData *)new OpenBabel::OBCommentData((OpenBabel::OBCommentData const &)*arg1);
9354   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBCommentData, R_SWIG_OWNER |  0 );
9355   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBCommentData_SetData__SWIG_0(SEXP self,SEXP data)9356 SWIGEXPORT SEXP R_swig_OBCommentData_SetData__SWIG_0 ( SEXP self, SEXP data) {
9357   OpenBabel::OBCommentData *arg1 = (OpenBabel::OBCommentData *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
9358   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9359   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBCommentData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9360     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBCommentData_SetData" "', argument " "1"" of type '" "OpenBabel::OBCommentData *""'");  }
9361    arg1 = reinterpret_cast< OpenBabel::OBCommentData * >(argp1); { std::string *ptr = (std::string *)0;
9362     res2 = SWIG_AsPtr_std_string(data, &ptr); if (!SWIG_IsOK(res2)) {
9363       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBCommentData_SetData" "', argument " "2"" of type '" "std::string const &""'"); }
9364      if (!ptr) {
9365       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBCommentData_SetData" "', argument " "2"" of type '" "std::string const &""'"); }
9366      arg2 = ptr; }  (arg1)->SetData((std::string const &)*arg2); r_ans = R_NilValue; if (SWIG_IsNewObj(res2)) delete arg2;
9367   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBCommentData_SetData__SWIG_1(SEXP self,SEXP d)9368 SWIGEXPORT SEXP R_swig_OBCommentData_SetData__SWIG_1 ( SEXP self, SEXP d) {
9369   OpenBabel::OBCommentData *arg1 = (OpenBabel::OBCommentData *) 0 ; char *arg2 = (char *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
9370   int res2 ; char *buf2 = 0 ; int alloc2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
9371   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBCommentData, 0 |  0 );
9372   if (!SWIG_IsOK(res1)) {
9373     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBCommentData_SetData" "', argument " "1"" of type '" "OpenBabel::OBCommentData *""'");  }
9374    arg1 = reinterpret_cast< OpenBabel::OBCommentData * >(argp1); res2 = SWIG_AsCharPtrAndSize(d, &buf2, NULL, &alloc2);
9375   if (!SWIG_IsOK(res2)) {
9376     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBCommentData_SetData" "', argument " "2"" of type '" "char const *""'"); }
9377    arg2 = reinterpret_cast< char * >(buf2); (arg1)->SetData((char const *)arg2); r_ans = R_NilValue;
9378   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBCommentData_GetData(SEXP self,SEXP s_swig_copy)9379 SWIGEXPORT SEXP R_swig_OBCommentData_GetData ( SEXP self, SEXP s_swig_copy) { std::string *result = 0 ;
9380   OpenBabel::OBCommentData *arg1 = (OpenBabel::OBCommentData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
9381   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9382   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBCommentData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9383     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBCommentData_GetData" "', argument " "1"" of type '" "OpenBabel::OBCommentData const *""'");  }
9384    arg1 = reinterpret_cast< OpenBabel::OBCommentData * >(argp1);
9385   result = (std::string *) &((OpenBabel::OBCommentData const *)arg1)->GetData();
9386   r_ans = SWIG_From_std_string(static_cast< std::string >(*result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
9387   return r_ans; }
R_swig_delete_OBCommentData(SEXP self)9388 SWIGEXPORT SEXP R_swig_delete_OBCommentData ( SEXP self) { OpenBabel::OBCommentData *arg1 = (OpenBabel::OBCommentData *) 0 ;
9389   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9390   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBCommentData, SWIG_POINTER_DISOWN |  0 );
9391   if (!SWIG_IsOK(res1)) {
9392     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBCommentData" "', argument " "1"" of type '" "OpenBabel::OBCommentData *""'");  }
9393    arg1 = reinterpret_cast< OpenBabel::OBCommentData * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
9394   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_new_OBExternalBond__SWIG_0()9395 SWIGEXPORT SEXP R_swig_new_OBExternalBond__SWIG_0 ( ) { OpenBabel::OBExternalBond *result = 0 ; unsigned int r_nprotect = 0;
9396   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBExternalBond *)new OpenBabel::OBExternalBond();
9397   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBExternalBond, R_SWIG_OWNER |  0 );
9398   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBExternalBond__SWIG_1(SEXP s_arg1,SEXP s_arg2,SEXP s_arg3)9399 SWIGEXPORT SEXP R_swig_new_OBExternalBond__SWIG_1 ( SEXP s_arg1, SEXP s_arg2, SEXP s_arg3) {
9400   OpenBabel::OBExternalBond *result = 0 ; OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ;
9401   OpenBabel::OBBond *arg2 = (OpenBabel::OBBond *) 0 ; int arg3 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
9402   int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9403   res1 = SWIG_R_ConvertPtr(s_arg1, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9404     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBExternalBond" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
9405    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1);
9406   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res2)) {
9407     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_OBExternalBond" "', argument " "2"" of type '" "OpenBabel::OBBond *""'");  }
9408    arg2 = reinterpret_cast< OpenBabel::OBBond * >(argp2); arg3 = static_cast< int >(INTEGER(s_arg3)[0]);
9409   result = (OpenBabel::OBExternalBond *)new OpenBabel::OBExternalBond(arg1,arg2,arg3);
9410   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBExternalBond, R_SWIG_OWNER |  0 );
9411   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBExternalBond__SWIG_2(SEXP s_arg1)9412 SWIGEXPORT SEXP R_swig_new_OBExternalBond__SWIG_2 ( SEXP s_arg1) { OpenBabel::OBExternalBond *result = 0 ;
9413   OpenBabel::OBExternalBond *arg1 = 0 ; void *argp1 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
9414   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(s_arg1, &argp1, SWIGTYPE_p_OpenBabel__OBExternalBond,  0 );
9415   if (!SWIG_IsOK(res1)) {
9416     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBExternalBond" "', argument " "1"" of type '" "OpenBabel::OBExternalBond const &""'");  }
9417    if (!argp1) {
9418     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBExternalBond" "', argument " "1"" of type '" "OpenBabel::OBExternalBond const &""'"); }
9419    arg1 = reinterpret_cast< OpenBabel::OBExternalBond * >(argp1);
9420   result = (OpenBabel::OBExternalBond *)new OpenBabel::OBExternalBond((OpenBabel::OBExternalBond const &)*arg1);
9421   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBExternalBond, R_SWIG_OWNER |  0 );
9422   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBExternalBond(SEXP self)9423 SWIGEXPORT SEXP R_swig_delete_OBExternalBond ( SEXP self) { OpenBabel::OBExternalBond *arg1 = (OpenBabel::OBExternalBond *) 0 ;
9424   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9425   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBExternalBond, SWIG_POINTER_DISOWN |  0 );
9426   if (!SWIG_IsOK(res1)) {
9427     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBExternalBond" "', argument " "1"" of type '" "OpenBabel::OBExternalBond *""'");  }
9428    arg1 = reinterpret_cast< OpenBabel::OBExternalBond * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
9429   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBExternalBond_GetIdx(SEXP self,SEXP s_swig_copy)9430 SWIGEXPORT SEXP R_swig_OBExternalBond_GetIdx ( SEXP self, SEXP s_swig_copy) { int result;
9431   OpenBabel::OBExternalBond *arg1 = (OpenBabel::OBExternalBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
9432   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9433   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBExternalBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9434     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBExternalBond_GetIdx" "', argument " "1"" of type '" "OpenBabel::OBExternalBond const *""'");  }
9435    arg1 = reinterpret_cast< OpenBabel::OBExternalBond * >(argp1);
9436   result = (int)((OpenBabel::OBExternalBond const *)arg1)->GetIdx(); r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax);
9437   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBExternalBond_GetAtom(SEXP self)9438 SWIGEXPORT SEXP R_swig_OBExternalBond_GetAtom ( SEXP self) { OpenBabel::OBAtom *result = 0 ;
9439   OpenBabel::OBExternalBond *arg1 = (OpenBabel::OBExternalBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
9440   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9441   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBExternalBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9442     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBExternalBond_GetAtom" "', argument " "1"" of type '" "OpenBabel::OBExternalBond const *""'");  }
9443    arg1 = reinterpret_cast< OpenBabel::OBExternalBond * >(argp1);
9444   result = (OpenBabel::OBAtom *)((OpenBabel::OBExternalBond const *)arg1)->GetAtom();
9445   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
9446   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBExternalBond_GetBond(SEXP self)9447 SWIGEXPORT SEXP R_swig_OBExternalBond_GetBond ( SEXP self) { OpenBabel::OBBond *result = 0 ;
9448   OpenBabel::OBExternalBond *arg1 = (OpenBabel::OBExternalBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
9449   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9450   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBExternalBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9451     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBExternalBond_GetBond" "', argument " "1"" of type '" "OpenBabel::OBExternalBond const *""'");  }
9452    arg1 = reinterpret_cast< OpenBabel::OBExternalBond * >(argp1);
9453   result = (OpenBabel::OBBond *)((OpenBabel::OBExternalBond const *)arg1)->GetBond();
9454   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
9455   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBExternalBond_SetIdx(SEXP self,SEXP idx)9456 SWIGEXPORT SEXP R_swig_OBExternalBond_SetIdx ( SEXP self, SEXP idx) {
9457   OpenBabel::OBExternalBond *arg1 = (OpenBabel::OBExternalBond *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
9458   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9459   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBExternalBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9460     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBExternalBond_SetIdx" "', argument " "1"" of type '" "OpenBabel::OBExternalBond *""'");  }
9461    arg1 = reinterpret_cast< OpenBabel::OBExternalBond * >(argp1); arg2 = static_cast< int >(INTEGER(idx)[0]);
9462   (arg1)->SetIdx(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBExternalBond_SetAtom(SEXP self,SEXP atom)9463 SWIGEXPORT SEXP R_swig_OBExternalBond_SetAtom ( SEXP self, SEXP atom) {
9464   OpenBabel::OBExternalBond *arg1 = (OpenBabel::OBExternalBond *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
9465   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
9466   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBExternalBond, 0 |  0 );
9467   if (!SWIG_IsOK(res1)) {
9468     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBExternalBond_SetAtom" "', argument " "1"" of type '" "OpenBabel::OBExternalBond *""'");  }
9469    arg1 = reinterpret_cast< OpenBabel::OBExternalBond * >(argp1);
9470   res2 = SWIG_R_ConvertPtr(atom, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
9471     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBExternalBond_SetAtom" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
9472    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); (arg1)->SetAtom(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
9473   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBExternalBond_SetBond(SEXP self,SEXP bond)9474 SWIGEXPORT SEXP R_swig_OBExternalBond_SetBond ( SEXP self, SEXP bond) {
9475   OpenBabel::OBExternalBond *arg1 = (OpenBabel::OBExternalBond *) 0 ; OpenBabel::OBBond *arg2 = (OpenBabel::OBBond *) 0 ;
9476   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
9477   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBExternalBond, 0 |  0 );
9478   if (!SWIG_IsOK(res1)) {
9479     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBExternalBond_SetBond" "', argument " "1"" of type '" "OpenBabel::OBExternalBond *""'");  }
9480    arg1 = reinterpret_cast< OpenBabel::OBExternalBond * >(argp1);
9481   res2 = SWIG_R_ConvertPtr(bond, &argp2, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res2)) {
9482     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBExternalBond_SetBond" "', argument " "2"" of type '" "OpenBabel::OBBond *""'");  }
9483    arg2 = reinterpret_cast< OpenBabel::OBBond * >(argp2); (arg1)->SetBond(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
9484   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBExternalBondData()9485 SWIGEXPORT SEXP R_swig_new_OBExternalBondData ( ) { OpenBabel::OBExternalBondData *result = 0 ; unsigned int r_nprotect = 0;
9486   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9487   result = (OpenBabel::OBExternalBondData *)new OpenBabel::OBExternalBondData();
9488   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBExternalBondData, R_SWIG_OWNER |  0 );
9489   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBExternalBondData_SetData(SEXP self,SEXP s_arg2,SEXP s_arg3,SEXP s_arg4)9490 SWIGEXPORT SEXP R_swig_OBExternalBondData_SetData ( SEXP self, SEXP s_arg2, SEXP s_arg3, SEXP s_arg4) {
9491   OpenBabel::OBExternalBondData *arg1 = (OpenBabel::OBExternalBondData *) 0 ;
9492   OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; OpenBabel::OBBond *arg3 = (OpenBabel::OBBond *) 0 ; int arg4 ;
9493   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ;
9494   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9495   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBExternalBondData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9496     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBExternalBondData_SetData" "', argument " "1"" of type '" "OpenBabel::OBExternalBondData *""'");  }
9497    arg1 = reinterpret_cast< OpenBabel::OBExternalBondData * >(argp1);
9498   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
9499     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBExternalBondData_SetData" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
9500    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2);
9501   res3 = SWIG_R_ConvertPtr(s_arg3, &argp3, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res3)) {
9502     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBExternalBondData_SetData" "', argument " "3"" of type '" "OpenBabel::OBBond *""'");  }
9503    arg3 = reinterpret_cast< OpenBabel::OBBond * >(argp3); arg4 = static_cast< int >(INTEGER(s_arg4)[0]);
9504   (arg1)->SetData(arg2,arg3,arg4); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBExternalBondData_GetData(SEXP self)9505 SWIGEXPORT SEXP R_swig_OBExternalBondData_GetData ( SEXP self) {
9506   std::vector< OpenBabel::OBExternalBond,std::allocator< OpenBabel::OBExternalBond > > *result = 0 ;
9507   OpenBabel::OBExternalBondData *arg1 = (OpenBabel::OBExternalBondData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
9508   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9509   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBExternalBondData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9510     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBExternalBondData_GetData" "', argument " "1"" of type '" "OpenBabel::OBExternalBondData *""'");  }
9511    arg1 = reinterpret_cast< OpenBabel::OBExternalBondData * >(argp1);
9512   result = (std::vector< OpenBabel::OBExternalBond,std::allocator< OpenBabel::OBExternalBond > > *)(arg1)->GetData();
9513   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBExternalBond_std__allocatorT_OpenBabel__OBExternalBond_t_t, R_SWIG_EXTERNAL |  0 );
9514   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBExternalBondData(SEXP self)9515 SWIGEXPORT SEXP R_swig_delete_OBExternalBondData ( SEXP self) {
9516   OpenBabel::OBExternalBondData *arg1 = (OpenBabel::OBExternalBondData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
9517   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9518   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBExternalBondData, SWIG_POINTER_DISOWN |  0 );
9519   if (!SWIG_IsOK(res1)) {
9520     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBExternalBondData" "', argument " "1"" of type '" "OpenBabel::OBExternalBondData *""'");  }
9521    arg1 = reinterpret_cast< OpenBabel::OBExternalBondData * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
9522   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_new_OBPairData()9523 SWIGEXPORT SEXP R_swig_new_OBPairData ( ) { OpenBabel::OBPairData *result = 0 ; unsigned int r_nprotect = 0;
9524   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBPairData *)new OpenBabel::OBPairData();
9525   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBPairData, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
9526   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBPairData_SetValue__SWIG_0(SEXP self,SEXP v)9527 SWIGEXPORT SEXP R_swig_OBPairData_SetValue__SWIG_0 ( SEXP self, SEXP v) {
9528   OpenBabel::OBPairData *arg1 = (OpenBabel::OBPairData *) 0 ; char *arg2 = (char *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
9529   int res2 ; char *buf2 = 0 ; int alloc2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
9530   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBPairData, 0 |  0 );
9531   if (!SWIG_IsOK(res1)) {
9532     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBPairData_SetValue" "', argument " "1"" of type '" "OpenBabel::OBPairData *""'");  }
9533    arg1 = reinterpret_cast< OpenBabel::OBPairData * >(argp1); res2 = SWIG_AsCharPtrAndSize(v, &buf2, NULL, &alloc2);
9534   if (!SWIG_IsOK(res2)) {
9535     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBPairData_SetValue" "', argument " "2"" of type '" "char const *""'"); }
9536    arg2 = reinterpret_cast< char * >(buf2); (arg1)->SetValue((char const *)arg2); r_ans = R_NilValue;
9537   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBPairData_SetValue__SWIG_1(SEXP self,SEXP v)9538 SWIGEXPORT SEXP R_swig_OBPairData_SetValue__SWIG_1 ( SEXP self, SEXP v) {
9539   OpenBabel::OBPairData *arg1 = (OpenBabel::OBPairData *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
9540   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9541   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBPairData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9542     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBPairData_SetValue" "', argument " "1"" of type '" "OpenBabel::OBPairData *""'");  }
9543    arg1 = reinterpret_cast< OpenBabel::OBPairData * >(argp1); { std::string *ptr = (std::string *)0;
9544     res2 = SWIG_AsPtr_std_string(v, &ptr); if (!SWIG_IsOK(res2)) {
9545       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBPairData_SetValue" "', argument " "2"" of type '" "std::string const &""'"); }
9546      if (!ptr) {
9547       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBPairData_SetValue" "', argument " "2"" of type '" "std::string const &""'"); }
9548      arg2 = ptr; }  (arg1)->SetValue((std::string const &)*arg2); r_ans = R_NilValue; if (SWIG_IsNewObj(res2)) delete arg2;
9549   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBPairData(SEXP self)9550 SWIGEXPORT SEXP R_swig_delete_OBPairData ( SEXP self) { OpenBabel::OBPairData *arg1 = (OpenBabel::OBPairData *) 0 ;
9551   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9552   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBPairData, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
9553     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBPairData" "', argument " "1"" of type '" "OpenBabel::OBPairData *""'");  }
9554    arg1 = reinterpret_cast< OpenBabel::OBPairData * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
9555   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_new_OBSetData()9556 SWIGEXPORT SEXP R_swig_new_OBSetData ( ) { OpenBabel::OBSetData *result = 0 ; unsigned int r_nprotect = 0;
9557   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBSetData *)new OpenBabel::OBSetData();
9558   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBSetData, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
9559   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSetData_AddData(SEXP self,SEXP d)9560 SWIGEXPORT SEXP R_swig_OBSetData_AddData ( SEXP self, SEXP d) { OpenBabel::OBSetData *arg1 = (OpenBabel::OBSetData *) 0 ;
9561   OpenBabel::OBGenericData *arg2 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
9562   int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9563   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSetData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9564     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSetData_AddData" "', argument " "1"" of type '" "OpenBabel::OBSetData *""'");  }
9565    arg1 = reinterpret_cast< OpenBabel::OBSetData * >(argp1);
9566   res2 = SWIG_R_ConvertPtr(d, &argp2, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res2)) {
9567     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBSetData_AddData" "', argument " "2"" of type '" "OpenBabel::OBGenericData *""'");  }
9568    arg2 = reinterpret_cast< OpenBabel::OBGenericData * >(argp2); (arg1)->AddData(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
9569   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSetData_SetData(SEXP self,SEXP vdata)9570 SWIGEXPORT SEXP R_swig_OBSetData_SetData ( SEXP self, SEXP vdata) { OpenBabel::OBSetData *arg1 = (OpenBabel::OBSetData *) 0 ;
9571   std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > *arg2 = 0 ; void *argp1 = 0 ;
9572   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
9573   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSetData, 0 |  0 );
9574   if (!SWIG_IsOK(res1)) {
9575     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSetData_SetData" "', argument " "1"" of type '" "OpenBabel::OBSetData *""'");  }
9576    arg1 = reinterpret_cast< OpenBabel::OBSetData * >(argp1);
9577   res2 = SWIG_R_ConvertPtr(vdata, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t,  0 );
9578   if (!SWIG_IsOK(res2)) {
9579     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBSetData_SetData" "', argument " "2"" of type '" "std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > &""'");  }
9580    if (!argp2) {
9581     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBSetData_SetData" "', argument " "2"" of type '" "std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > &""'"); }
9582    arg2 = reinterpret_cast< std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > * >(argp2);
9583   (arg1)->SetData(*arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSetData_GetData__SWIG_0(SEXP self,SEXP s)9584 SWIGEXPORT SEXP R_swig_OBSetData_GetData__SWIG_0 ( SEXP self, SEXP s) { OpenBabel::OBGenericData *result = 0 ;
9585   OpenBabel::OBSetData *arg1 = (OpenBabel::OBSetData *) 0 ; char *arg2 = (char *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
9586   int res2 ; char *buf2 = 0 ; int alloc2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
9587   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSetData, 0 |  0 );
9588   if (!SWIG_IsOK(res1)) {
9589     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSetData_GetData" "', argument " "1"" of type '" "OpenBabel::OBSetData *""'");  }
9590    arg1 = reinterpret_cast< OpenBabel::OBSetData * >(argp1); res2 = SWIG_AsCharPtrAndSize(s, &buf2, NULL, &alloc2);
9591   if (!SWIG_IsOK(res2)) {
9592     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBSetData_GetData" "', argument " "2"" of type '" "char const *""'"); }
9593    arg2 = reinterpret_cast< char * >(buf2); result = (OpenBabel::OBGenericData *)(arg1)->GetData((char const *)arg2);
9594   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGenericData, R_SWIG_EXTERNAL |  0 );
9595   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSetData_GetData__SWIG_1(SEXP self,SEXP s)9596 SWIGEXPORT SEXP R_swig_OBSetData_GetData__SWIG_1 ( SEXP self, SEXP s) { OpenBabel::OBGenericData *result = 0 ;
9597   OpenBabel::OBSetData *arg1 = (OpenBabel::OBSetData *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
9598   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9599   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSetData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9600     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSetData_GetData" "', argument " "1"" of type '" "OpenBabel::OBSetData *""'");  }
9601    arg1 = reinterpret_cast< OpenBabel::OBSetData * >(argp1); { std::string *ptr = (std::string *)0;
9602     res2 = SWIG_AsPtr_std_string(s, &ptr); if (!SWIG_IsOK(res2)) {
9603       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBSetData_GetData" "', argument " "2"" of type '" "std::string const &""'"); }
9604      if (!ptr) {
9605       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBSetData_GetData" "', argument " "2"" of type '" "std::string const &""'"); }
9606      arg2 = ptr; }  result = (OpenBabel::OBGenericData *)(arg1)->GetData((std::string const &)*arg2);
9607   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGenericData, R_SWIG_EXTERNAL |  0 );
9608   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSetData_GetData__SWIG_2(SEXP self,SEXP s_swig_copy)9609 SWIGEXPORT SEXP R_swig_OBSetData_GetData__SWIG_2 ( SEXP self, SEXP s_swig_copy) {
9610   std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > *result = 0 ;
9611   OpenBabel::OBSetData *arg1 = (OpenBabel::OBSetData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
9612   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9613   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSetData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9614     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSetData_GetData" "', argument " "1"" of type '" "OpenBabel::OBSetData const *""'");  }
9615    arg1 = reinterpret_cast< OpenBabel::OBSetData * >(argp1);
9616   result = (std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > *) &((OpenBabel::OBSetData const *)arg1)->GetData();
9617   r_ans = swig::from(static_cast< std::vector<OpenBabel::OBGenericData*,std::allocator< OpenBabel::OBGenericData * > > >(*result));
9618   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSetData_GetBegin(SEXP self,SEXP s_swig_copy)9619 SWIGEXPORT SEXP R_swig_OBSetData_GetBegin ( SEXP self, SEXP s_swig_copy) {
9620   SwigValueWrapper< std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > >::iterator > result;
9621   OpenBabel::OBSetData *arg1 = (OpenBabel::OBSetData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
9622   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9623   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSetData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9624     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSetData_GetBegin" "', argument " "1"" of type '" "OpenBabel::OBSetData *""'");  }
9625    arg1 = reinterpret_cast< OpenBabel::OBSetData * >(argp1); result = (arg1)->GetBegin();
9626   r_ans = SWIG_R_NewPointerObj((new std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > >::iterator(static_cast< const std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > >::iterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
9627   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSetData_GetEnd(SEXP self,SEXP s_swig_copy)9628 SWIGEXPORT SEXP R_swig_OBSetData_GetEnd ( SEXP self, SEXP s_swig_copy) {
9629   SwigValueWrapper< std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > >::iterator > result;
9630   OpenBabel::OBSetData *arg1 = (OpenBabel::OBSetData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
9631   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9632   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSetData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9633     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSetData_GetEnd" "', argument " "1"" of type '" "OpenBabel::OBSetData *""'");  }
9634    arg1 = reinterpret_cast< OpenBabel::OBSetData * >(argp1); result = (arg1)->GetEnd();
9635   r_ans = SWIG_R_NewPointerObj((new std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > >::iterator(static_cast< const std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > >::iterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
9636   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSetData_DeleteData(SEXP self,SEXP gd)9637 SWIGEXPORT SEXP R_swig_OBSetData_DeleteData ( SEXP self, SEXP gd) { OpenBabel::OBSetData *arg1 = (OpenBabel::OBSetData *) 0 ;
9638   OpenBabel::OBGenericData *arg2 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
9639   int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9640   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSetData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9641     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSetData_DeleteData" "', argument " "1"" of type '" "OpenBabel::OBSetData *""'");  }
9642    arg1 = reinterpret_cast< OpenBabel::OBSetData * >(argp1);
9643   res2 = SWIG_R_ConvertPtr(gd, &argp2, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res2)) {
9644     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBSetData_DeleteData" "', argument " "2"" of type '" "OpenBabel::OBGenericData *""'");  }
9645    arg2 = reinterpret_cast< OpenBabel::OBGenericData * >(argp2); (arg1)->DeleteData(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
9646   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBSetData(SEXP self)9647 SWIGEXPORT SEXP R_swig_delete_OBSetData ( SEXP self) { OpenBabel::OBSetData *arg1 = (OpenBabel::OBSetData *) 0 ;
9648   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9649   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSetData, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
9650     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBSetData" "', argument " "1"" of type '" "OpenBabel::OBSetData *""'");  }
9651    arg1 = reinterpret_cast< OpenBabel::OBSetData * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
9652   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_new_OBVirtualBond__SWIG_0()9653 SWIGEXPORT SEXP R_swig_new_OBVirtualBond__SWIG_0 ( ) { OpenBabel::OBVirtualBond *result = 0 ; unsigned int r_nprotect = 0;
9654   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBVirtualBond *)new OpenBabel::OBVirtualBond();
9655   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBVirtualBond, R_SWIG_OWNER |  0 );
9656   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBVirtualBond__SWIG_1(SEXP s_arg1,SEXP s_arg2,SEXP s_arg3,SEXP stereo)9657 SWIGEXPORT SEXP R_swig_new_OBVirtualBond__SWIG_1 ( SEXP s_arg1, SEXP s_arg2, SEXP s_arg3, SEXP stereo) {
9658   OpenBabel::OBVirtualBond *result = 0 ; int arg1 ; int arg2 ; int arg3 ; int arg4 ; unsigned int r_nprotect = 0;
9659   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; arg1 = static_cast< int >(INTEGER(s_arg1)[0]);
9660   arg2 = static_cast< int >(INTEGER(s_arg2)[0]); arg3 = static_cast< int >(INTEGER(s_arg3)[0]);
9661   arg4 = static_cast< int >(INTEGER(stereo)[0]);
9662   result = (OpenBabel::OBVirtualBond *)new OpenBabel::OBVirtualBond(arg1,arg2,arg3,arg4);
9663   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBVirtualBond, R_SWIG_OWNER |  0 );
9664   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBVirtualBond__SWIG_2(SEXP s_arg1,SEXP s_arg2,SEXP s_arg3)9665 SWIGEXPORT SEXP R_swig_new_OBVirtualBond__SWIG_2 ( SEXP s_arg1, SEXP s_arg2, SEXP s_arg3) {
9666   OpenBabel::OBVirtualBond *result = 0 ; int arg1 ; int arg2 ; int arg3 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
9667   VMAXTYPE r_vmax = vmaxget() ; arg1 = static_cast< int >(INTEGER(s_arg1)[0]); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
9668   arg3 = static_cast< int >(INTEGER(s_arg3)[0]);
9669   result = (OpenBabel::OBVirtualBond *)new OpenBabel::OBVirtualBond(arg1,arg2,arg3);
9670   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBVirtualBond, R_SWIG_OWNER |  0 );
9671   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBVirtualBond_GetBgn(SEXP self,SEXP s_swig_copy)9672 SWIGEXPORT SEXP R_swig_OBVirtualBond_GetBgn ( SEXP self, SEXP s_swig_copy) { int result;
9673   OpenBabel::OBVirtualBond *arg1 = (OpenBabel::OBVirtualBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
9674   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9675   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBVirtualBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9676     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBVirtualBond_GetBgn" "', argument " "1"" of type '" "OpenBabel::OBVirtualBond *""'");  }
9677    arg1 = reinterpret_cast< OpenBabel::OBVirtualBond * >(argp1); result = (int)(arg1)->GetBgn();
9678   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBVirtualBond_GetEnd(SEXP self,SEXP s_swig_copy)9679 SWIGEXPORT SEXP R_swig_OBVirtualBond_GetEnd ( SEXP self, SEXP s_swig_copy) { int result;
9680   OpenBabel::OBVirtualBond *arg1 = (OpenBabel::OBVirtualBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
9681   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9682   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBVirtualBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9683     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBVirtualBond_GetEnd" "', argument " "1"" of type '" "OpenBabel::OBVirtualBond *""'");  }
9684    arg1 = reinterpret_cast< OpenBabel::OBVirtualBond * >(argp1); result = (int)(arg1)->GetEnd();
9685   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBVirtualBond_GetOrder(SEXP self,SEXP s_swig_copy)9686 SWIGEXPORT SEXP R_swig_OBVirtualBond_GetOrder ( SEXP self, SEXP s_swig_copy) { int result;
9687   OpenBabel::OBVirtualBond *arg1 = (OpenBabel::OBVirtualBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
9688   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9689   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBVirtualBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9690     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBVirtualBond_GetOrder" "', argument " "1"" of type '" "OpenBabel::OBVirtualBond *""'");  }
9691    arg1 = reinterpret_cast< OpenBabel::OBVirtualBond * >(argp1); result = (int)(arg1)->GetOrder();
9692   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBVirtualBond_GetStereo(SEXP self,SEXP s_swig_copy)9693 SWIGEXPORT SEXP R_swig_OBVirtualBond_GetStereo ( SEXP self, SEXP s_swig_copy) { int result;
9694   OpenBabel::OBVirtualBond *arg1 = (OpenBabel::OBVirtualBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
9695   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9696   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBVirtualBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9697     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBVirtualBond_GetStereo" "', argument " "1"" of type '" "OpenBabel::OBVirtualBond *""'");  }
9698    arg1 = reinterpret_cast< OpenBabel::OBVirtualBond * >(argp1); result = (int)(arg1)->GetStereo();
9699   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBVirtualBond(SEXP self)9700 SWIGEXPORT SEXP R_swig_delete_OBVirtualBond ( SEXP self) { OpenBabel::OBVirtualBond *arg1 = (OpenBabel::OBVirtualBond *) 0 ;
9701   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9702   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBVirtualBond, SWIG_POINTER_DISOWN |  0 );
9703   if (!SWIG_IsOK(res1)) {
9704     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBVirtualBond" "', argument " "1"" of type '" "OpenBabel::OBVirtualBond *""'");  }
9705    arg1 = reinterpret_cast< OpenBabel::OBVirtualBond * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
9706   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_new_OBRingData__SWIG_0()9707 SWIGEXPORT SEXP R_swig_new_OBRingData__SWIG_0 ( ) { OpenBabel::OBRingData *result = 0 ; unsigned int r_nprotect = 0;
9708   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBRingData *)new OpenBabel::OBRingData();
9709   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBRingData, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
9710   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBRingData__SWIG_1(SEXP s_arg1)9711 SWIGEXPORT SEXP R_swig_new_OBRingData__SWIG_1 ( SEXP s_arg1) { OpenBabel::OBRingData *result = 0 ;
9712   OpenBabel::OBRingData *arg1 = 0 ; void *argp1 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
9713   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(s_arg1, &argp1, SWIGTYPE_p_OpenBabel__OBRingData,  0 );
9714   if (!SWIG_IsOK(res1)) {
9715     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBRingData" "', argument " "1"" of type '" "OpenBabel::OBRingData const &""'");  }
9716    if (!argp1) {
9717     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBRingData" "', argument " "1"" of type '" "OpenBabel::OBRingData const &""'"); }
9718    arg1 = reinterpret_cast< OpenBabel::OBRingData * >(argp1);
9719   result = (OpenBabel::OBRingData *)new OpenBabel::OBRingData((OpenBabel::OBRingData const &)*arg1);
9720   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBRingData, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
9721   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBRingData(SEXP self)9722 SWIGEXPORT SEXP R_swig_delete_OBRingData ( SEXP self) { OpenBabel::OBRingData *arg1 = (OpenBabel::OBRingData *) 0 ;
9723   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9724   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRingData, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
9725     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBRingData" "', argument " "1"" of type '" "OpenBabel::OBRingData *""'");  }
9726    arg1 = reinterpret_cast< OpenBabel::OBRingData * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
9727   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBRingData_SetData(SEXP self,SEXP vr)9728 SWIGEXPORT SEXP R_swig_OBRingData_SetData ( SEXP self, SEXP vr) { OpenBabel::OBRingData *arg1 = (OpenBabel::OBRingData *) 0 ;
9729   std::vector< OpenBabel::OBRing *,std::allocator< OpenBabel::OBRing * > > *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
9730   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9731   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRingData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9732     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRingData_SetData" "', argument " "1"" of type '" "OpenBabel::OBRingData *""'");  }
9733    arg1 = reinterpret_cast< OpenBabel::OBRingData * >(argp1);
9734   res2 = SWIG_R_ConvertPtr(vr, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBRing_p_std__allocatorT_OpenBabel__OBRing_p_t_t,  0 );
9735   if (!SWIG_IsOK(res2)) {
9736     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRingData_SetData" "', argument " "2"" of type '" "std::vector< OpenBabel::OBRing *,std::allocator< OpenBabel::OBRing * > > &""'");  }
9737    if (!argp2) {
9738     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRingData_SetData" "', argument " "2"" of type '" "std::vector< OpenBabel::OBRing *,std::allocator< OpenBabel::OBRing * > > &""'"); }
9739    arg2 = reinterpret_cast< std::vector< OpenBabel::OBRing *,std::allocator< OpenBabel::OBRing * > > * >(argp2);
9740   (arg1)->SetData(*arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRingData_PushBack(SEXP self,SEXP r)9741 SWIGEXPORT SEXP R_swig_OBRingData_PushBack ( SEXP self, SEXP r) { OpenBabel::OBRingData *arg1 = (OpenBabel::OBRingData *) 0 ;
9742   OpenBabel::OBRing *arg2 = (OpenBabel::OBRing *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
9743   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9744   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRingData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9745     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRingData_PushBack" "', argument " "1"" of type '" "OpenBabel::OBRingData *""'");  }
9746    arg1 = reinterpret_cast< OpenBabel::OBRingData * >(argp1);
9747   res2 = SWIG_R_ConvertPtr(r, &argp2, SWIGTYPE_p_OpenBabel__OBRing, 0 |  0 ); if (!SWIG_IsOK(res2)) {
9748     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRingData_PushBack" "', argument " "2"" of type '" "OpenBabel::OBRing *""'");  }
9749    arg2 = reinterpret_cast< OpenBabel::OBRing * >(argp2); (arg1)->PushBack(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
9750   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRingData_GetData(SEXP self,SEXP s_swig_copy)9751 SWIGEXPORT SEXP R_swig_OBRingData_GetData ( SEXP self, SEXP s_swig_copy) {
9752   std::vector< OpenBabel::OBRing *,std::allocator< OpenBabel::OBRing * > > *result = 0 ;
9753   OpenBabel::OBRingData *arg1 = (OpenBabel::OBRingData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
9754   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9755   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRingData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9756     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRingData_GetData" "', argument " "1"" of type '" "OpenBabel::OBRingData *""'");  }
9757    arg1 = reinterpret_cast< OpenBabel::OBRingData * >(argp1);
9758   result = (std::vector< OpenBabel::OBRing *,std::allocator< OpenBabel::OBRing * > > *) &(arg1)->GetData();
9759   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBRing_p_std__allocatorT_OpenBabel__OBRing_p_t_t, R_SWIG_EXTERNAL |  0 );
9760   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRingData_BeginRings(SEXP self,SEXP s_swig_copy)9761 SWIGEXPORT SEXP R_swig_OBRingData_BeginRings ( SEXP self, SEXP s_swig_copy) {
9762   SwigValueWrapper< std::vector< OpenBabel::OBRing *,std::allocator< OpenBabel::OBRing * > >::iterator > result;
9763   OpenBabel::OBRingData *arg1 = (OpenBabel::OBRingData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
9764   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9765   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRingData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9766     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRingData_BeginRings" "', argument " "1"" of type '" "OpenBabel::OBRingData *""'");  }
9767    arg1 = reinterpret_cast< OpenBabel::OBRingData * >(argp1); result = (arg1)->BeginRings();
9768   r_ans = SWIG_R_NewPointerObj((new std::vector< OpenBabel::OBRing *,std::allocator< OpenBabel::OBRing * > >::iterator(static_cast< const std::vector< OpenBabel::OBRing *,std::allocator< OpenBabel::OBRing * > >::iterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBRing_p_std__allocatorT_OpenBabel__OBRing_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
9769   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRingData_EndRings(SEXP self,SEXP s_swig_copy)9770 SWIGEXPORT SEXP R_swig_OBRingData_EndRings ( SEXP self, SEXP s_swig_copy) {
9771   SwigValueWrapper< std::vector< OpenBabel::OBRing *,std::allocator< OpenBabel::OBRing * > >::iterator > result;
9772   OpenBabel::OBRingData *arg1 = (OpenBabel::OBRingData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
9773   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9774   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRingData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9775     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRingData_EndRings" "', argument " "1"" of type '" "OpenBabel::OBRingData *""'");  }
9776    arg1 = reinterpret_cast< OpenBabel::OBRingData * >(argp1); result = (arg1)->EndRings();
9777   r_ans = SWIG_R_NewPointerObj((new std::vector< OpenBabel::OBRing *,std::allocator< OpenBabel::OBRing * > >::iterator(static_cast< const std::vector< OpenBabel::OBRing *,std::allocator< OpenBabel::OBRing * > >::iterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBRing_p_std__allocatorT_OpenBabel__OBRing_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
9778   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRingData_BeginRing(SEXP self,SEXP i)9779 SWIGEXPORT SEXP R_swig_OBRingData_BeginRing ( SEXP self, SEXP i) { OpenBabel::OBRing *result = 0 ;
9780   OpenBabel::OBRingData *arg1 = (OpenBabel::OBRingData *) 0 ;
9781   std::vector< OpenBabel::OBRing *,std::allocator< OpenBabel::OBRing * > >::iterator *arg2 = 0 ; void *argp1 = 0 ;
9782   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
9783   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRingData, 0 |  0 );
9784   if (!SWIG_IsOK(res1)) {
9785     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRingData_BeginRing" "', argument " "1"" of type '" "OpenBabel::OBRingData *""'");  }
9786    arg1 = reinterpret_cast< OpenBabel::OBRingData * >(argp1);
9787   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBRing_p_std__allocatorT_OpenBabel__OBRing_p_t_t__iterator,  0 );
9788   if (!SWIG_IsOK(res2)) {
9789     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRingData_BeginRing" "', argument " "2"" of type '" "std::vector< OpenBabel::OBRing *,std::allocator< OpenBabel::OBRing * > >::iterator &""'");  }
9790    if (!argp2) {
9791     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRingData_BeginRing" "', argument " "2"" of type '" "std::vector< OpenBabel::OBRing *,std::allocator< OpenBabel::OBRing * > >::iterator &""'"); }
9792    arg2 = reinterpret_cast< std::vector< OpenBabel::OBRing *,std::allocator< OpenBabel::OBRing * > >::iterator * >(argp2);
9793   result = (OpenBabel::OBRing *)(arg1)->BeginRing(*arg2);
9794   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBRing, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
9795   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRingData_NextRing(SEXP self,SEXP i)9796 SWIGEXPORT SEXP R_swig_OBRingData_NextRing ( SEXP self, SEXP i) { OpenBabel::OBRing *result = 0 ;
9797   OpenBabel::OBRingData *arg1 = (OpenBabel::OBRingData *) 0 ;
9798   std::vector< OpenBabel::OBRing *,std::allocator< OpenBabel::OBRing * > >::iterator *arg2 = 0 ; void *argp1 = 0 ;
9799   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
9800   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRingData, 0 |  0 );
9801   if (!SWIG_IsOK(res1)) {
9802     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRingData_NextRing" "', argument " "1"" of type '" "OpenBabel::OBRingData *""'");  }
9803    arg1 = reinterpret_cast< OpenBabel::OBRingData * >(argp1);
9804   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBRing_p_std__allocatorT_OpenBabel__OBRing_p_t_t__iterator,  0 );
9805   if (!SWIG_IsOK(res2)) {
9806     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRingData_NextRing" "', argument " "2"" of type '" "std::vector< OpenBabel::OBRing *,std::allocator< OpenBabel::OBRing * > >::iterator &""'");  }
9807    if (!argp2) {
9808     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRingData_NextRing" "', argument " "2"" of type '" "std::vector< OpenBabel::OBRing *,std::allocator< OpenBabel::OBRing * > >::iterator &""'"); }
9809    arg2 = reinterpret_cast< std::vector< OpenBabel::OBRing *,std::allocator< OpenBabel::OBRing * > >::iterator * >(argp2);
9810   result = (OpenBabel::OBRing *)(arg1)->NextRing(*arg2);
9811   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBRing, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
9812   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBUnitCell__SWIG_0()9813 SWIGEXPORT SEXP R_swig_new_OBUnitCell__SWIG_0 ( ) { OpenBabel::OBUnitCell *result = 0 ; unsigned int r_nprotect = 0;
9814   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBUnitCell *)new OpenBabel::OBUnitCell();
9815   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBUnitCell, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
9816   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBUnitCell__SWIG_1(SEXP s_arg1)9817 SWIGEXPORT SEXP R_swig_new_OBUnitCell__SWIG_1 ( SEXP s_arg1) { OpenBabel::OBUnitCell *result = 0 ;
9818   OpenBabel::OBUnitCell *arg1 = 0 ; void *argp1 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
9819   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(s_arg1, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell,  0 );
9820   if (!SWIG_IsOK(res1)) {
9821     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBUnitCell" "', argument " "1"" of type '" "OpenBabel::OBUnitCell const &""'");  }
9822    if (!argp1) {
9823     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBUnitCell" "', argument " "1"" of type '" "OpenBabel::OBUnitCell const &""'"); }
9824    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1);
9825   result = (OpenBabel::OBUnitCell *)new OpenBabel::OBUnitCell((OpenBabel::OBUnitCell const &)*arg1);
9826   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBUnitCell, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
9827   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBUnitCell(SEXP self)9828 SWIGEXPORT SEXP R_swig_delete_OBUnitCell ( SEXP self) { OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ;
9829   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9830   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
9831     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBUnitCell" "', argument " "1"" of type '" "OpenBabel::OBUnitCell *""'");  }
9832    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
9833   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBUnitCell_SetData__SWIG_0(SEXP self,SEXP a,SEXP b,SEXP c,SEXP alpha,SEXP beta,SEXP gamma)9834 SWIGEXPORT SEXP R_swig_OBUnitCell_SetData__SWIG_0 ( SEXP self, SEXP a, SEXP b, SEXP c, SEXP alpha, SEXP beta, SEXP gamma) {
9835   OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; double arg2 ; double arg3 ; double arg4 ; double arg5 ;
9836   double arg6 ; double arg7 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
9837   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 );
9838   if (!SWIG_IsOK(res1)) {
9839     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_SetData" "', argument " "1"" of type '" "OpenBabel::OBUnitCell *""'");  }
9840    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1); arg2 = static_cast< double >(REAL(a)[0]);
9841   arg3 = static_cast< double >(REAL(b)[0]); arg4 = static_cast< double >(REAL(c)[0]);
9842   arg5 = static_cast< double >(REAL(alpha)[0]); arg6 = static_cast< double >(REAL(beta)[0]);
9843   arg7 = static_cast< double >(REAL(gamma)[0]); (arg1)->SetData(arg2,arg3,arg4,arg5,arg6,arg7); r_ans = R_NilValue;
9844   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBUnitCell_SetData__SWIG_1(SEXP self,SEXP v1,SEXP v2,SEXP v3)9845 SWIGEXPORT SEXP R_swig_OBUnitCell_SetData__SWIG_1 ( SEXP self, SEXP v1, SEXP v2, SEXP v3) {
9846   OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; OpenBabel::vector3 arg2 ; OpenBabel::vector3 arg3 ;
9847   OpenBabel::vector3 arg4 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ; void *argp3 ; int res3 = 0 ;
9848   void *argp4 ; int res4 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9849   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9850     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_SetData" "', argument " "1"" of type '" "OpenBabel::OBUnitCell *""'");  }
9851    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1); {
9852     res2 = SWIG_R_ConvertPtr(v1, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
9853       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBUnitCell_SetData" "', argument " "2"" of type '" "OpenBabel::vector3 const""'");  }
9854        if (!argp2) {
9855       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBUnitCell_SetData" "', argument " "2"" of type '" "OpenBabel::vector3 const""'"); }
9856      else { arg2 = *(reinterpret_cast< OpenBabel::vector3 * >(argp2)); }  }  {
9857     res3 = SWIG_R_ConvertPtr(v2, &argp3, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res3)) {
9858       SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBUnitCell_SetData" "', argument " "3"" of type '" "OpenBabel::vector3 const""'");  }
9859        if (!argp3) {
9860       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBUnitCell_SetData" "', argument " "3"" of type '" "OpenBabel::vector3 const""'"); }
9861      else { arg3 = *(reinterpret_cast< OpenBabel::vector3 * >(argp3)); }  }  {
9862     res4 = SWIG_R_ConvertPtr(v3, &argp4, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res4)) {
9863       SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "OBUnitCell_SetData" "', argument " "4"" of type '" "OpenBabel::vector3 const""'");  }
9864        if (!argp4) {
9865       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBUnitCell_SetData" "', argument " "4"" of type '" "OpenBabel::vector3 const""'"); }
9866      else { arg4 = *(reinterpret_cast< OpenBabel::vector3 * >(argp4)); }  }  (arg1)->SetData(arg2,arg3,arg4);
9867   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBUnitCell_SetData__SWIG_2(SEXP self,SEXP m)9868 SWIGEXPORT SEXP R_swig_OBUnitCell_SetData__SWIG_2 ( SEXP self, SEXP m) {
9869   OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; OpenBabel::matrix3x3 arg2 ; void *argp1 = 0 ; int res1 = 0 ;
9870   void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9871   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9872     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_SetData" "', argument " "1"" of type '" "OpenBabel::OBUnitCell *""'");  }
9873    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1); {
9874     res2 = SWIG_R_ConvertPtr(m, &argp2, SWIGTYPE_p_OpenBabel__matrix3x3,  0 ); if (!SWIG_IsOK(res2)) {
9875       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBUnitCell_SetData" "', argument " "2"" of type '" "OpenBabel::matrix3x3 const""'");  }
9876        if (!argp2) {
9877       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBUnitCell_SetData" "', argument " "2"" of type '" "OpenBabel::matrix3x3 const""'"); }
9878      else { arg2 = *(reinterpret_cast< OpenBabel::matrix3x3 * >(argp2)); }  }  (arg1)->SetData(arg2); r_ans = R_NilValue;
9879   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBUnitCell_SetOffset(SEXP self,SEXP v1)9880 SWIGEXPORT SEXP R_swig_OBUnitCell_SetOffset ( SEXP self, SEXP v1) { OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ;
9881   OpenBabel::vector3 arg2 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0;
9882   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9883   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9884     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_SetOffset" "', argument " "1"" of type '" "OpenBabel::OBUnitCell *""'");  }
9885    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1); {
9886     res2 = SWIG_R_ConvertPtr(v1, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
9887       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBUnitCell_SetOffset" "', argument " "2"" of type '" "OpenBabel::vector3 const""'");  }
9888        if (!argp2) {
9889       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBUnitCell_SetOffset" "', argument " "2"" of type '" "OpenBabel::vector3 const""'"); }
9890      else { arg2 = *(reinterpret_cast< OpenBabel::vector3 * >(argp2)); }  }  (arg1)->SetOffset(arg2); r_ans = R_NilValue;
9891   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBUnitCell_SetSpaceGroup__SWIG_0(SEXP self,SEXP sg)9892 SWIGEXPORT SEXP R_swig_OBUnitCell_SetSpaceGroup__SWIG_0 ( SEXP self, SEXP sg) {
9893   OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; OpenBabel::SpaceGroup *arg2 = (OpenBabel::SpaceGroup *) 0 ;
9894   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
9895   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 );
9896   if (!SWIG_IsOK(res1)) {
9897     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_SetSpaceGroup" "', argument " "1"" of type '" "OpenBabel::OBUnitCell *""'");  }
9898    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1);
9899   res2 = SWIG_R_ConvertPtr(sg, &argp2, SWIGTYPE_p_OpenBabel__SpaceGroup, 0 |  0 ); if (!SWIG_IsOK(res2)) {
9900     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBUnitCell_SetSpaceGroup" "', argument " "2"" of type '" "OpenBabel::SpaceGroup const *""'");  }
9901    arg2 = reinterpret_cast< OpenBabel::SpaceGroup * >(argp2); (arg1)->SetSpaceGroup((OpenBabel::SpaceGroup const *)arg2);
9902   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBUnitCell_SetSpaceGroup__SWIG_1(SEXP self,SEXP sg)9903 SWIGEXPORT SEXP R_swig_OBUnitCell_SetSpaceGroup__SWIG_1 ( SEXP self, SEXP sg) {
9904   OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; std::string arg2 ; void *argp1 = 0 ; int res1 = 0 ;
9905   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9906   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9907     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_SetSpaceGroup" "', argument " "1"" of type '" "OpenBabel::OBUnitCell *""'");  }
9908    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1); { std::string *ptr = (std::string *)0;
9909     int res = SWIG_AsPtr_std_string(sg, &ptr); if (!SWIG_IsOK(res) || !ptr) {
9910       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBUnitCell_SetSpaceGroup" "', argument " "2"" of type '" "std::string const""'");  }
9911      arg2 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  (arg1)->SetSpaceGroup(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
9912   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBUnitCell_SetSpaceGroup__SWIG_2(SEXP self,SEXP sg)9913 SWIGEXPORT SEXP R_swig_OBUnitCell_SetSpaceGroup__SWIG_2 ( SEXP self, SEXP sg) {
9914   OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
9915   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9916   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9917     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_SetSpaceGroup" "', argument " "1"" of type '" "OpenBabel::OBUnitCell *""'");  }
9918    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1); arg2 = static_cast< int >(INTEGER(sg)[0]);
9919   (arg1)->SetSpaceGroup(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBUnitCell_SetLatticeType(SEXP self,SEXP lt)9920 SWIGEXPORT SEXP R_swig_OBUnitCell_SetLatticeType ( SEXP self, SEXP lt) {
9921   OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; OpenBabel::OBUnitCell::LatticeType arg2 ; void *argp1 = 0 ;
9922   int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
9923   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 );
9924   if (!SWIG_IsOK(res1)) {
9925     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_SetLatticeType" "', argument " "1"" of type '" "OpenBabel::OBUnitCell *""'");  }
9926    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1); ecode2 = SWIG_AsVal_int(lt, &val2); if (!SWIG_IsOK(ecode2)) {
9927     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBUnitCell_SetLatticeType" "', argument " "2"" of type '" "OpenBabel::OBUnitCell::LatticeType""'"); }
9928     arg2 = static_cast< OpenBabel::OBUnitCell::LatticeType >(val2); (arg1)->SetLatticeType(arg2); r_ans = R_NilValue;
9929   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBUnitCell_FillUnitCell(SEXP self,SEXP s_arg2)9930 SWIGEXPORT SEXP R_swig_OBUnitCell_FillUnitCell ( SEXP self, SEXP s_arg2) {
9931   OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ;
9932   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
9933   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 );
9934   if (!SWIG_IsOK(res1)) {
9935     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_FillUnitCell" "', argument " "1"" of type '" "OpenBabel::OBUnitCell *""'");  }
9936    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1);
9937   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res2)) {
9938     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBUnitCell_FillUnitCell" "', argument " "2"" of type '" "OpenBabel::OBMol *""'");  }
9939    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); (arg1)->FillUnitCell(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
9940   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBUnitCell_GetA__SWIG_0(SEXP self,SEXP s_swig_copy)9941 SWIGEXPORT SEXP R_swig_OBUnitCell_GetA__SWIG_0 ( SEXP self, SEXP s_swig_copy) { double result;
9942   OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
9943   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9944   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9945     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_GetA" "', argument " "1"" of type '" "OpenBabel::OBUnitCell *""'");  }
9946    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1); result = (double)(arg1)->GetA();
9947   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
9948   return r_ans; }
R_swig_OBUnitCell_GetA__SWIG_1(SEXP self,SEXP s_swig_copy)9949 SWIGEXPORT SEXP R_swig_OBUnitCell_GetA__SWIG_1 ( SEXP self, SEXP s_swig_copy) { double result;
9950   OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
9951   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9952   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9953     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_GetA" "', argument " "1"" of type '" "OpenBabel::OBUnitCell const *""'");  }
9954    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1); result = (double)((OpenBabel::OBUnitCell const *)arg1)->GetA();
9955   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
9956   return r_ans; }
R_swig_OBUnitCell_GetB__SWIG_0(SEXP self,SEXP s_swig_copy)9957 SWIGEXPORT SEXP R_swig_OBUnitCell_GetB__SWIG_0 ( SEXP self, SEXP s_swig_copy) { double result;
9958   OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
9959   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9960   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9961     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_GetB" "', argument " "1"" of type '" "OpenBabel::OBUnitCell *""'");  }
9962    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1); result = (double)(arg1)->GetB();
9963   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
9964   return r_ans; }
R_swig_OBUnitCell_GetB__SWIG_1(SEXP self,SEXP s_swig_copy)9965 SWIGEXPORT SEXP R_swig_OBUnitCell_GetB__SWIG_1 ( SEXP self, SEXP s_swig_copy) { double result;
9966   OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
9967   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9968   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9969     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_GetB" "', argument " "1"" of type '" "OpenBabel::OBUnitCell const *""'");  }
9970    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1); result = (double)((OpenBabel::OBUnitCell const *)arg1)->GetB();
9971   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
9972   return r_ans; }
R_swig_OBUnitCell_GetC__SWIG_0(SEXP self,SEXP s_swig_copy)9973 SWIGEXPORT SEXP R_swig_OBUnitCell_GetC__SWIG_0 ( SEXP self, SEXP s_swig_copy) { double result;
9974   OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
9975   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9976   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9977     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_GetC" "', argument " "1"" of type '" "OpenBabel::OBUnitCell *""'");  }
9978    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1); result = (double)(arg1)->GetC();
9979   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
9980   return r_ans; }
R_swig_OBUnitCell_GetC__SWIG_1(SEXP self,SEXP s_swig_copy)9981 SWIGEXPORT SEXP R_swig_OBUnitCell_GetC__SWIG_1 ( SEXP self, SEXP s_swig_copy) { double result;
9982   OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
9983   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9984   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9985     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_GetC" "', argument " "1"" of type '" "OpenBabel::OBUnitCell const *""'");  }
9986    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1); result = (double)((OpenBabel::OBUnitCell const *)arg1)->GetC();
9987   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
9988   return r_ans; }
R_swig_OBUnitCell_GetAlpha__SWIG_0(SEXP self,SEXP s_swig_copy)9989 SWIGEXPORT SEXP R_swig_OBUnitCell_GetAlpha__SWIG_0 ( SEXP self, SEXP s_swig_copy) { double result;
9990   OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
9991   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
9992   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 ); if (!SWIG_IsOK(res1)) {
9993     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_GetAlpha" "', argument " "1"" of type '" "OpenBabel::OBUnitCell *""'");  }
9994    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1); result = (double)(arg1)->GetAlpha();
9995   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
9996   return r_ans; }
R_swig_OBUnitCell_GetAlpha__SWIG_1(SEXP self,SEXP s_swig_copy)9997 SWIGEXPORT SEXP R_swig_OBUnitCell_GetAlpha__SWIG_1 ( SEXP self, SEXP s_swig_copy) { double result;
9998   OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
9999   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10000   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10001     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_GetAlpha" "', argument " "1"" of type '" "OpenBabel::OBUnitCell const *""'");  }
10002    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1);
10003   result = (double)((OpenBabel::OBUnitCell const *)arg1)->GetAlpha(); r_ans = SWIG_From_double(static_cast< double >(result));
10004   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBUnitCell_GetBeta__SWIG_0(SEXP self,SEXP s_swig_copy)10005 SWIGEXPORT SEXP R_swig_OBUnitCell_GetBeta__SWIG_0 ( SEXP self, SEXP s_swig_copy) { double result;
10006   OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
10007   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10008   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10009     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_GetBeta" "', argument " "1"" of type '" "OpenBabel::OBUnitCell *""'");  }
10010    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1); result = (double)(arg1)->GetBeta();
10011   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
10012   return r_ans; }
R_swig_OBUnitCell_GetBeta__SWIG_1(SEXP self,SEXP s_swig_copy)10013 SWIGEXPORT SEXP R_swig_OBUnitCell_GetBeta__SWIG_1 ( SEXP self, SEXP s_swig_copy) { double result;
10014   OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
10015   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10016   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10017     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_GetBeta" "', argument " "1"" of type '" "OpenBabel::OBUnitCell const *""'");  }
10018    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1); result = (double)((OpenBabel::OBUnitCell const *)arg1)->GetBeta();
10019   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
10020   return r_ans; }
R_swig_OBUnitCell_GetGamma__SWIG_0(SEXP self,SEXP s_swig_copy)10021 SWIGEXPORT SEXP R_swig_OBUnitCell_GetGamma__SWIG_0 ( SEXP self, SEXP s_swig_copy) { double result;
10022   OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
10023   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10024   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10025     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_GetGamma" "', argument " "1"" of type '" "OpenBabel::OBUnitCell *""'");  }
10026    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1); result = (double)(arg1)->GetGamma();
10027   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
10028   return r_ans; }
R_swig_OBUnitCell_GetGamma__SWIG_1(SEXP self,SEXP s_swig_copy)10029 SWIGEXPORT SEXP R_swig_OBUnitCell_GetGamma__SWIG_1 ( SEXP self, SEXP s_swig_copy) { double result;
10030   OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
10031   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10032   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10033     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_GetGamma" "', argument " "1"" of type '" "OpenBabel::OBUnitCell const *""'");  }
10034    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1);
10035   result = (double)((OpenBabel::OBUnitCell const *)arg1)->GetGamma(); r_ans = SWIG_From_double(static_cast< double >(result));
10036   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBUnitCell_GetOffset__SWIG_0(SEXP self,SEXP s_swig_copy)10037 SWIGEXPORT SEXP R_swig_OBUnitCell_GetOffset__SWIG_0 ( SEXP self, SEXP s_swig_copy) { OpenBabel::vector3 result;
10038   OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
10039   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10040   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10041     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_GetOffset" "', argument " "1"" of type '" "OpenBabel::OBUnitCell *""'");  }
10042    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1); result = (arg1)->GetOffset();
10043   r_ans = SWIG_R_NewPointerObj((new OpenBabel::vector3(static_cast< const OpenBabel::vector3& >(result))), SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_OWN |  0 );
10044   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBUnitCell_GetOffset__SWIG_1(SEXP self,SEXP s_swig_copy)10045 SWIGEXPORT SEXP R_swig_OBUnitCell_GetOffset__SWIG_1 ( SEXP self, SEXP s_swig_copy) { OpenBabel::vector3 result;
10046   OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
10047   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10048   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10049     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_GetOffset" "', argument " "1"" of type '" "OpenBabel::OBUnitCell const *""'");  }
10050    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1); result = ((OpenBabel::OBUnitCell const *)arg1)->GetOffset();
10051   r_ans = SWIG_R_NewPointerObj((new OpenBabel::vector3(static_cast< const OpenBabel::vector3& >(result))), SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_OWN |  0 );
10052   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBUnitCell_GetSpaceGroup__SWIG_0(SEXP self)10053 SWIGEXPORT SEXP R_swig_OBUnitCell_GetSpaceGroup__SWIG_0 ( SEXP self) { OpenBabel::SpaceGroup *result = 0 ;
10054   OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
10055   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10056   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10057     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_GetSpaceGroup" "', argument " "1"" of type '" "OpenBabel::OBUnitCell *""'");  }
10058    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1); result = (OpenBabel::SpaceGroup *)(arg1)->GetSpaceGroup();
10059   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__SpaceGroup, R_SWIG_EXTERNAL |  0 );
10060   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBUnitCell_GetSpaceGroup__SWIG_1(SEXP self)10061 SWIGEXPORT SEXP R_swig_OBUnitCell_GetSpaceGroup__SWIG_1 ( SEXP self) { OpenBabel::SpaceGroup *result = 0 ;
10062   OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
10063   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10064   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10065     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_GetSpaceGroup" "', argument " "1"" of type '" "OpenBabel::OBUnitCell const *""'");  }
10066    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1);
10067   result = (OpenBabel::SpaceGroup *)((OpenBabel::OBUnitCell const *)arg1)->GetSpaceGroup();
10068   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__SpaceGroup, R_SWIG_EXTERNAL |  0 );
10069   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBUnitCell_GetSpaceGroupName__SWIG_0(SEXP self,SEXP s_swig_copy)10070 SWIGEXPORT SEXP R_swig_OBUnitCell_GetSpaceGroupName__SWIG_0 ( SEXP self, SEXP s_swig_copy) { std::string result;
10071   OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
10072   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10073   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10074     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_GetSpaceGroupName" "', argument " "1"" of type '" "OpenBabel::OBUnitCell *""'");  }
10075    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1); result = (arg1)->GetSpaceGroupName();
10076   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
10077   return r_ans; }
R_swig_OBUnitCell_GetSpaceGroupName__SWIG_1(SEXP self,SEXP s_swig_copy)10078 SWIGEXPORT SEXP R_swig_OBUnitCell_GetSpaceGroupName__SWIG_1 ( SEXP self, SEXP s_swig_copy) { std::string result;
10079   OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
10080   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10081   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10082     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_GetSpaceGroupName" "', argument " "1"" of type '" "OpenBabel::OBUnitCell const *""'");  }
10083    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1);
10084   result = ((OpenBabel::OBUnitCell const *)arg1)->GetSpaceGroupName();
10085   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
10086   return r_ans; }
R_swig_OBUnitCell_GetLatticeType__SWIG_0(SEXP self,SEXP spacegroup,SEXP s_swig_copy)10087 SWIGEXPORT SEXP R_swig_OBUnitCell_GetLatticeType__SWIG_0 ( SEXP self, SEXP spacegroup, SEXP s_swig_copy) {
10088   OpenBabel::OBUnitCell::LatticeType result; OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; int arg2 ;
10089   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10090   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10091     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_GetLatticeType" "', argument " "1"" of type '" "OpenBabel::OBUnitCell *""'");  }
10092    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1); arg2 = static_cast< int >(INTEGER(spacegroup)[0]);
10093   result = (OpenBabel::OBUnitCell::LatticeType)(arg1)->GetLatticeType(arg2); r_ans = SWIG_From_int(static_cast< int >(result));
10094   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBUnitCell_GetLatticeType__SWIG_1(SEXP self,SEXP spacegroup,SEXP s_swig_copy)10095 SWIGEXPORT SEXP R_swig_OBUnitCell_GetLatticeType__SWIG_1 ( SEXP self, SEXP spacegroup, SEXP s_swig_copy) {
10096   OpenBabel::OBUnitCell::LatticeType result; OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; int arg2 ;
10097   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10098   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10099     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_GetLatticeType" "', argument " "1"" of type '" "OpenBabel::OBUnitCell const *""'");  }
10100    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1); arg2 = static_cast< int >(INTEGER(spacegroup)[0]);
10101   result = (OpenBabel::OBUnitCell::LatticeType)((OpenBabel::OBUnitCell const *)arg1)->GetLatticeType(arg2);
10102   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBUnitCell_GetLatticeType__SWIG_2(SEXP self,SEXP s_swig_copy)10103 SWIGEXPORT SEXP R_swig_OBUnitCell_GetLatticeType__SWIG_2 ( SEXP self, SEXP s_swig_copy) {
10104   OpenBabel::OBUnitCell::LatticeType result; OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; void *argp1 = 0 ;
10105   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10106   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10107     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_GetLatticeType" "', argument " "1"" of type '" "OpenBabel::OBUnitCell *""'");  }
10108    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1);
10109   result = (OpenBabel::OBUnitCell::LatticeType)(arg1)->GetLatticeType(); r_ans = SWIG_From_int(static_cast< int >(result));
10110   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBUnitCell_GetLatticeType__SWIG_3(SEXP self,SEXP s_swig_copy)10111 SWIGEXPORT SEXP R_swig_OBUnitCell_GetLatticeType__SWIG_3 ( SEXP self, SEXP s_swig_copy) {
10112   OpenBabel::OBUnitCell::LatticeType result; OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; void *argp1 = 0 ;
10113   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10114   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10115     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_GetLatticeType" "', argument " "1"" of type '" "OpenBabel::OBUnitCell const *""'");  }
10116    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1);
10117   result = (OpenBabel::OBUnitCell::LatticeType)((OpenBabel::OBUnitCell const *)arg1)->GetLatticeType();
10118   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBUnitCell_GetCellVectors__SWIG_0(SEXP self,SEXP s_swig_copy)10119 SWIGEXPORT SEXP R_swig_OBUnitCell_GetCellVectors__SWIG_0 ( SEXP self, SEXP s_swig_copy) {
10120   std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > result;
10121   OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
10122   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10123   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10124     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_GetCellVectors" "', argument " "1"" of type '" "OpenBabel::OBUnitCell *""'");  }
10125    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1); result = (arg1)->GetCellVectors();
10126   r_ans = swig::from(static_cast< std::vector<OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > >(result));
10127   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBUnitCell_GetCellVectors__SWIG_1(SEXP self,SEXP s_swig_copy)10128 SWIGEXPORT SEXP R_swig_OBUnitCell_GetCellVectors__SWIG_1 ( SEXP self, SEXP s_swig_copy) {
10129   std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > result;
10130   OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
10131   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10132   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10133     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_GetCellVectors" "', argument " "1"" of type '" "OpenBabel::OBUnitCell const *""'");  }
10134    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1); result = ((OpenBabel::OBUnitCell const *)arg1)->GetCellVectors();
10135   r_ans = swig::from(static_cast< std::vector<OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > >(result));
10136   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBUnitCell_GetCellMatrix__SWIG_0(SEXP self,SEXP s_swig_copy)10137 SWIGEXPORT SEXP R_swig_OBUnitCell_GetCellMatrix__SWIG_0 ( SEXP self, SEXP s_swig_copy) { OpenBabel::matrix3x3 result;
10138   OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
10139   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10140   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10141     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_GetCellMatrix" "', argument " "1"" of type '" "OpenBabel::OBUnitCell *""'");  }
10142    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1); result = (arg1)->GetCellMatrix();
10143   r_ans = SWIG_R_NewPointerObj((new OpenBabel::matrix3x3(static_cast< const OpenBabel::matrix3x3& >(result))), SWIGTYPE_p_OpenBabel__matrix3x3, SWIG_POINTER_OWN |  0 );
10144   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBUnitCell_GetCellMatrix__SWIG_1(SEXP self,SEXP s_swig_copy)10145 SWIGEXPORT SEXP R_swig_OBUnitCell_GetCellMatrix__SWIG_1 ( SEXP self, SEXP s_swig_copy) { OpenBabel::matrix3x3 result;
10146   OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
10147   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10148   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10149     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_GetCellMatrix" "', argument " "1"" of type '" "OpenBabel::OBUnitCell const *""'");  }
10150    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1); result = ((OpenBabel::OBUnitCell const *)arg1)->GetCellMatrix();
10151   r_ans = SWIG_R_NewPointerObj((new OpenBabel::matrix3x3(static_cast< const OpenBabel::matrix3x3& >(result))), SWIGTYPE_p_OpenBabel__matrix3x3, SWIG_POINTER_OWN |  0 );
10152   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBUnitCell_GetOrthoMatrix__SWIG_0(SEXP self,SEXP s_swig_copy)10153 SWIGEXPORT SEXP R_swig_OBUnitCell_GetOrthoMatrix__SWIG_0 ( SEXP self, SEXP s_swig_copy) { OpenBabel::matrix3x3 result;
10154   OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
10155   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10156   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10157     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_GetOrthoMatrix" "', argument " "1"" of type '" "OpenBabel::OBUnitCell *""'");  }
10158    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1); result = (arg1)->GetOrthoMatrix();
10159   r_ans = SWIG_R_NewPointerObj((new OpenBabel::matrix3x3(static_cast< const OpenBabel::matrix3x3& >(result))), SWIGTYPE_p_OpenBabel__matrix3x3, SWIG_POINTER_OWN |  0 );
10160   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBUnitCell_GetOrthoMatrix__SWIG_1(SEXP self,SEXP s_swig_copy)10161 SWIGEXPORT SEXP R_swig_OBUnitCell_GetOrthoMatrix__SWIG_1 ( SEXP self, SEXP s_swig_copy) { OpenBabel::matrix3x3 result;
10162   OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
10163   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10164   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10165     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_GetOrthoMatrix" "', argument " "1"" of type '" "OpenBabel::OBUnitCell const *""'");  }
10166    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1); result = ((OpenBabel::OBUnitCell const *)arg1)->GetOrthoMatrix();
10167   r_ans = SWIG_R_NewPointerObj((new OpenBabel::matrix3x3(static_cast< const OpenBabel::matrix3x3& >(result))), SWIGTYPE_p_OpenBabel__matrix3x3, SWIG_POINTER_OWN |  0 );
10168   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBUnitCell_GetOrientationMatrix__SWIG_0(SEXP self,SEXP s_swig_copy)10169 SWIGEXPORT SEXP R_swig_OBUnitCell_GetOrientationMatrix__SWIG_0 ( SEXP self, SEXP s_swig_copy) { OpenBabel::matrix3x3 result;
10170   OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
10171   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10172   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10173     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_GetOrientationMatrix" "', argument " "1"" of type '" "OpenBabel::OBUnitCell *""'");  }
10174    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1); result = (arg1)->GetOrientationMatrix();
10175   r_ans = SWIG_R_NewPointerObj((new OpenBabel::matrix3x3(static_cast< const OpenBabel::matrix3x3& >(result))), SWIGTYPE_p_OpenBabel__matrix3x3, SWIG_POINTER_OWN |  0 );
10176   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBUnitCell_GetOrientationMatrix__SWIG_1(SEXP self,SEXP s_swig_copy)10177 SWIGEXPORT SEXP R_swig_OBUnitCell_GetOrientationMatrix__SWIG_1 ( SEXP self, SEXP s_swig_copy) { OpenBabel::matrix3x3 result;
10178   OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
10179   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10180   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10181     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_GetOrientationMatrix" "', argument " "1"" of type '" "OpenBabel::OBUnitCell const *""'");  }
10182    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1);
10183   result = ((OpenBabel::OBUnitCell const *)arg1)->GetOrientationMatrix();
10184   r_ans = SWIG_R_NewPointerObj((new OpenBabel::matrix3x3(static_cast< const OpenBabel::matrix3x3& >(result))), SWIGTYPE_p_OpenBabel__matrix3x3, SWIG_POINTER_OWN |  0 );
10185   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBUnitCell_GetFractionalMatrix__SWIG_0(SEXP self,SEXP s_swig_copy)10186 SWIGEXPORT SEXP R_swig_OBUnitCell_GetFractionalMatrix__SWIG_0 ( SEXP self, SEXP s_swig_copy) { OpenBabel::matrix3x3 result;
10187   OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
10188   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10189   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10190     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_GetFractionalMatrix" "', argument " "1"" of type '" "OpenBabel::OBUnitCell *""'");  }
10191    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1); result = (arg1)->GetFractionalMatrix();
10192   r_ans = SWIG_R_NewPointerObj((new OpenBabel::matrix3x3(static_cast< const OpenBabel::matrix3x3& >(result))), SWIGTYPE_p_OpenBabel__matrix3x3, SWIG_POINTER_OWN |  0 );
10193   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBUnitCell_GetFractionalMatrix__SWIG_1(SEXP self,SEXP s_swig_copy)10194 SWIGEXPORT SEXP R_swig_OBUnitCell_GetFractionalMatrix__SWIG_1 ( SEXP self, SEXP s_swig_copy) { OpenBabel::matrix3x3 result;
10195   OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
10196   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10197   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10198     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_GetFractionalMatrix" "', argument " "1"" of type '" "OpenBabel::OBUnitCell const *""'");  }
10199    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1);
10200   result = ((OpenBabel::OBUnitCell const *)arg1)->GetFractionalMatrix();
10201   r_ans = SWIG_R_NewPointerObj((new OpenBabel::matrix3x3(static_cast< const OpenBabel::matrix3x3& >(result))), SWIGTYPE_p_OpenBabel__matrix3x3, SWIG_POINTER_OWN |  0 );
10202   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBUnitCell_FractionalToCartesian__SWIG_0(SEXP self,SEXP frac,SEXP s_swig_copy)10203 SWIGEXPORT SEXP R_swig_OBUnitCell_FractionalToCartesian__SWIG_0 ( SEXP self, SEXP frac, SEXP s_swig_copy) {
10204   OpenBabel::vector3 result; OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; OpenBabel::vector3 arg2 ;
10205   void *argp1 = 0 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
10206   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 );
10207   if (!SWIG_IsOK(res1)) {
10208     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_FractionalToCartesian" "', argument " "1"" of type '" "OpenBabel::OBUnitCell *""'");  }
10209    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1); {
10210     res2 = SWIG_R_ConvertPtr(frac, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
10211       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBUnitCell_FractionalToCartesian" "', argument " "2"" of type '" "OpenBabel::vector3""'");  }
10212        if (!argp2) {
10213       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBUnitCell_FractionalToCartesian" "', argument " "2"" of type '" "OpenBabel::vector3""'"); }
10214      else { arg2 = *(reinterpret_cast< OpenBabel::vector3 * >(argp2)); }  }  result = (arg1)->FractionalToCartesian(arg2);
10215   r_ans = SWIG_R_NewPointerObj((new OpenBabel::vector3(static_cast< const OpenBabel::vector3& >(result))), SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_OWN |  0 );
10216   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBUnitCell_FractionalToCartesian__SWIG_1(SEXP self,SEXP frac,SEXP s_swig_copy)10217 SWIGEXPORT SEXP R_swig_OBUnitCell_FractionalToCartesian__SWIG_1 ( SEXP self, SEXP frac, SEXP s_swig_copy) {
10218   OpenBabel::vector3 result; OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; OpenBabel::vector3 arg2 ;
10219   void *argp1 = 0 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
10220   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 );
10221   if (!SWIG_IsOK(res1)) {
10222     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_FractionalToCartesian" "', argument " "1"" of type '" "OpenBabel::OBUnitCell const *""'");  }
10223    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1); {
10224     res2 = SWIG_R_ConvertPtr(frac, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
10225       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBUnitCell_FractionalToCartesian" "', argument " "2"" of type '" "OpenBabel::vector3""'");  }
10226        if (!argp2) {
10227       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBUnitCell_FractionalToCartesian" "', argument " "2"" of type '" "OpenBabel::vector3""'"); }
10228      else { arg2 = *(reinterpret_cast< OpenBabel::vector3 * >(argp2)); }  }
10229   result = ((OpenBabel::OBUnitCell const *)arg1)->FractionalToCartesian(arg2);
10230   r_ans = SWIG_R_NewPointerObj((new OpenBabel::vector3(static_cast< const OpenBabel::vector3& >(result))), SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_OWN |  0 );
10231   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBUnitCell_CartesianToFractional__SWIG_0(SEXP self,SEXP cart,SEXP s_swig_copy)10232 SWIGEXPORT SEXP R_swig_OBUnitCell_CartesianToFractional__SWIG_0 ( SEXP self, SEXP cart, SEXP s_swig_copy) {
10233   OpenBabel::vector3 result; OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; OpenBabel::vector3 arg2 ;
10234   void *argp1 = 0 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
10235   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 );
10236   if (!SWIG_IsOK(res1)) {
10237     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_CartesianToFractional" "', argument " "1"" of type '" "OpenBabel::OBUnitCell *""'");  }
10238    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1); {
10239     res2 = SWIG_R_ConvertPtr(cart, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
10240       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBUnitCell_CartesianToFractional" "', argument " "2"" of type '" "OpenBabel::vector3""'");  }
10241        if (!argp2) {
10242       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBUnitCell_CartesianToFractional" "', argument " "2"" of type '" "OpenBabel::vector3""'"); }
10243      else { arg2 = *(reinterpret_cast< OpenBabel::vector3 * >(argp2)); }  }  result = (arg1)->CartesianToFractional(arg2);
10244   r_ans = SWIG_R_NewPointerObj((new OpenBabel::vector3(static_cast< const OpenBabel::vector3& >(result))), SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_OWN |  0 );
10245   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBUnitCell_CartesianToFractional__SWIG_1(SEXP self,SEXP cart,SEXP s_swig_copy)10246 SWIGEXPORT SEXP R_swig_OBUnitCell_CartesianToFractional__SWIG_1 ( SEXP self, SEXP cart, SEXP s_swig_copy) {
10247   OpenBabel::vector3 result; OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; OpenBabel::vector3 arg2 ;
10248   void *argp1 = 0 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
10249   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 );
10250   if (!SWIG_IsOK(res1)) {
10251     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_CartesianToFractional" "', argument " "1"" of type '" "OpenBabel::OBUnitCell const *""'");  }
10252    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1); {
10253     res2 = SWIG_R_ConvertPtr(cart, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
10254       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBUnitCell_CartesianToFractional" "', argument " "2"" of type '" "OpenBabel::vector3""'");  }
10255        if (!argp2) {
10256       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBUnitCell_CartesianToFractional" "', argument " "2"" of type '" "OpenBabel::vector3""'"); }
10257      else { arg2 = *(reinterpret_cast< OpenBabel::vector3 * >(argp2)); }  }
10258   result = ((OpenBabel::OBUnitCell const *)arg1)->CartesianToFractional(arg2);
10259   r_ans = SWIG_R_NewPointerObj((new OpenBabel::vector3(static_cast< const OpenBabel::vector3& >(result))), SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_OWN |  0 );
10260   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBUnitCell_WrapCartesianCoordinate__SWIG_0(SEXP self,SEXP cart,SEXP s_swig_copy)10261 SWIGEXPORT SEXP R_swig_OBUnitCell_WrapCartesianCoordinate__SWIG_0 ( SEXP self, SEXP cart, SEXP s_swig_copy) {
10262   OpenBabel::vector3 result; OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; OpenBabel::vector3 arg2 ;
10263   void *argp1 = 0 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
10264   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 );
10265   if (!SWIG_IsOK(res1)) {
10266     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_WrapCartesianCoordinate" "', argument " "1"" of type '" "OpenBabel::OBUnitCell *""'");  }
10267    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1); {
10268     res2 = SWIG_R_ConvertPtr(cart, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
10269       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBUnitCell_WrapCartesianCoordinate" "', argument " "2"" of type '" "OpenBabel::vector3""'");  }
10270        if (!argp2) {
10271       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBUnitCell_WrapCartesianCoordinate" "', argument " "2"" of type '" "OpenBabel::vector3""'"); }
10272      else { arg2 = *(reinterpret_cast< OpenBabel::vector3 * >(argp2)); }  }  result = (arg1)->WrapCartesianCoordinate(arg2);
10273   r_ans = SWIG_R_NewPointerObj((new OpenBabel::vector3(static_cast< const OpenBabel::vector3& >(result))), SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_OWN |  0 );
10274   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBUnitCell_WrapCartesianCoordinate__SWIG_1(SEXP self,SEXP cart,SEXP s_swig_copy)10275 SWIGEXPORT SEXP R_swig_OBUnitCell_WrapCartesianCoordinate__SWIG_1 ( SEXP self, SEXP cart, SEXP s_swig_copy) {
10276   OpenBabel::vector3 result; OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; OpenBabel::vector3 arg2 ;
10277   void *argp1 = 0 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
10278   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 );
10279   if (!SWIG_IsOK(res1)) {
10280     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_WrapCartesianCoordinate" "', argument " "1"" of type '" "OpenBabel::OBUnitCell const *""'");  }
10281    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1); {
10282     res2 = SWIG_R_ConvertPtr(cart, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
10283       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBUnitCell_WrapCartesianCoordinate" "', argument " "2"" of type '" "OpenBabel::vector3""'");  }
10284        if (!argp2) {
10285       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBUnitCell_WrapCartesianCoordinate" "', argument " "2"" of type '" "OpenBabel::vector3""'"); }
10286      else { arg2 = *(reinterpret_cast< OpenBabel::vector3 * >(argp2)); }  }
10287   result = ((OpenBabel::OBUnitCell const *)arg1)->WrapCartesianCoordinate(arg2);
10288   r_ans = SWIG_R_NewPointerObj((new OpenBabel::vector3(static_cast< const OpenBabel::vector3& >(result))), SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_OWN |  0 );
10289   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBUnitCell_WrapFractionalCoordinate__SWIG_0(SEXP self,SEXP frac,SEXP s_swig_copy)10290 SWIGEXPORT SEXP R_swig_OBUnitCell_WrapFractionalCoordinate__SWIG_0 ( SEXP self, SEXP frac, SEXP s_swig_copy) {
10291   OpenBabel::vector3 result; OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; OpenBabel::vector3 arg2 ;
10292   void *argp1 = 0 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
10293   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 );
10294   if (!SWIG_IsOK(res1)) {
10295     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_WrapFractionalCoordinate" "', argument " "1"" of type '" "OpenBabel::OBUnitCell *""'");  }
10296    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1); {
10297     res2 = SWIG_R_ConvertPtr(frac, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
10298       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBUnitCell_WrapFractionalCoordinate" "', argument " "2"" of type '" "OpenBabel::vector3""'");  }
10299        if (!argp2) {
10300       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBUnitCell_WrapFractionalCoordinate" "', argument " "2"" of type '" "OpenBabel::vector3""'"); }
10301      else { arg2 = *(reinterpret_cast< OpenBabel::vector3 * >(argp2)); }  }  result = (arg1)->WrapFractionalCoordinate(arg2);
10302   r_ans = SWIG_R_NewPointerObj((new OpenBabel::vector3(static_cast< const OpenBabel::vector3& >(result))), SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_OWN |  0 );
10303   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBUnitCell_WrapFractionalCoordinate__SWIG_1(SEXP self,SEXP frac,SEXP s_swig_copy)10304 SWIGEXPORT SEXP R_swig_OBUnitCell_WrapFractionalCoordinate__SWIG_1 ( SEXP self, SEXP frac, SEXP s_swig_copy) {
10305   OpenBabel::vector3 result; OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; OpenBabel::vector3 arg2 ;
10306   void *argp1 = 0 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
10307   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 );
10308   if (!SWIG_IsOK(res1)) {
10309     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_WrapFractionalCoordinate" "', argument " "1"" of type '" "OpenBabel::OBUnitCell const *""'");  }
10310    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1); {
10311     res2 = SWIG_R_ConvertPtr(frac, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
10312       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBUnitCell_WrapFractionalCoordinate" "', argument " "2"" of type '" "OpenBabel::vector3""'");  }
10313        if (!argp2) {
10314       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBUnitCell_WrapFractionalCoordinate" "', argument " "2"" of type '" "OpenBabel::vector3""'"); }
10315      else { arg2 = *(reinterpret_cast< OpenBabel::vector3 * >(argp2)); }  }
10316   result = ((OpenBabel::OBUnitCell const *)arg1)->WrapFractionalCoordinate(arg2);
10317   r_ans = SWIG_R_NewPointerObj((new OpenBabel::vector3(static_cast< const OpenBabel::vector3& >(result))), SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_OWN |  0 );
10318   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBUnitCell_GetSpaceGroupNumber__SWIG_0(SEXP self,SEXP name,SEXP s_swig_copy)10319 SWIGEXPORT SEXP R_swig_OBUnitCell_GetSpaceGroupNumber__SWIG_0 ( SEXP self, SEXP name, SEXP s_swig_copy) { int result;
10320   OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; std::string arg2 ; void *argp1 = 0 ; int res1 = 0 ;
10321   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10322   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10323     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_GetSpaceGroupNumber" "', argument " "1"" of type '" "OpenBabel::OBUnitCell *""'");  }
10324    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1); { std::string *ptr = (std::string *)0;
10325     int res = SWIG_AsPtr_std_string(name, &ptr); if (!SWIG_IsOK(res) || !ptr) {
10326       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBUnitCell_GetSpaceGroupNumber" "', argument " "2"" of type '" "std::string""'");  }
10327      arg2 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  result = (int)(arg1)->GetSpaceGroupNumber(arg2);
10328   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBUnitCell_GetSpaceGroupNumber__SWIG_1(SEXP self,SEXP s_swig_copy)10329 SWIGEXPORT SEXP R_swig_OBUnitCell_GetSpaceGroupNumber__SWIG_1 ( SEXP self, SEXP s_swig_copy) { int result;
10330   OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
10331   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10332   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10333     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_GetSpaceGroupNumber" "', argument " "1"" of type '" "OpenBabel::OBUnitCell *""'");  }
10334    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1); result = (int)(arg1)->GetSpaceGroupNumber();
10335   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBUnitCell_GetSpaceGroupNumber__SWIG_2(SEXP self,SEXP name,SEXP s_swig_copy)10336 SWIGEXPORT SEXP R_swig_OBUnitCell_GetSpaceGroupNumber__SWIG_2 ( SEXP self, SEXP name, SEXP s_swig_copy) { int result;
10337   OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; std::string arg2 ; void *argp1 = 0 ; int res1 = 0 ;
10338   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10339   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10340     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_GetSpaceGroupNumber" "', argument " "1"" of type '" "OpenBabel::OBUnitCell const *""'");  }
10341    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1); { std::string *ptr = (std::string *)0;
10342     int res = SWIG_AsPtr_std_string(name, &ptr); if (!SWIG_IsOK(res) || !ptr) {
10343       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBUnitCell_GetSpaceGroupNumber" "', argument " "2"" of type '" "std::string""'");  }
10344      arg2 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }
10345   result = (int)((OpenBabel::OBUnitCell const *)arg1)->GetSpaceGroupNumber(arg2); r_ans = Rf_ScalarInteger(result);
10346   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBUnitCell_GetSpaceGroupNumber__SWIG_3(SEXP self,SEXP s_swig_copy)10347 SWIGEXPORT SEXP R_swig_OBUnitCell_GetSpaceGroupNumber__SWIG_3 ( SEXP self, SEXP s_swig_copy) { int result;
10348   OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
10349   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10350   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10351     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_GetSpaceGroupNumber" "', argument " "1"" of type '" "OpenBabel::OBUnitCell const *""'");  }
10352    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1);
10353   result = (int)((OpenBabel::OBUnitCell const *)arg1)->GetSpaceGroupNumber(); r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax);
10354   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBUnitCell_GetCellVolume__SWIG_0(SEXP self,SEXP s_swig_copy)10355 SWIGEXPORT SEXP R_swig_OBUnitCell_GetCellVolume__SWIG_0 ( SEXP self, SEXP s_swig_copy) { double result;
10356   OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
10357   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10358   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10359     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_GetCellVolume" "', argument " "1"" of type '" "OpenBabel::OBUnitCell *""'");  }
10360    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1); result = (double)(arg1)->GetCellVolume();
10361   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
10362   return r_ans; }
R_swig_OBUnitCell_GetCellVolume__SWIG_1(SEXP self,SEXP s_swig_copy)10363 SWIGEXPORT SEXP R_swig_OBUnitCell_GetCellVolume__SWIG_1 ( SEXP self, SEXP s_swig_copy) { double result;
10364   OpenBabel::OBUnitCell *arg1 = (OpenBabel::OBUnitCell *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
10365   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10366   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBUnitCell, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10367     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBUnitCell_GetCellVolume" "', argument " "1"" of type '" "OpenBabel::OBUnitCell const *""'");  }
10368    arg1 = reinterpret_cast< OpenBabel::OBUnitCell * >(argp1);
10369   result = (double)((OpenBabel::OBUnitCell const *)arg1)->GetCellVolume();
10370   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
10371   return r_ans; }
R_swig_new_OBConformerData__SWIG_0()10372 SWIGEXPORT SEXP R_swig_new_OBConformerData__SWIG_0 ( ) { OpenBabel::OBConformerData *result = 0 ; unsigned int r_nprotect = 0;
10373   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10374   result = (OpenBabel::OBConformerData *)new OpenBabel::OBConformerData();
10375   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBConformerData, R_SWIG_OWNER |  0 );
10376   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBConformerData__SWIG_1(SEXP s_arg1)10377 SWIGEXPORT SEXP R_swig_new_OBConformerData__SWIG_1 ( SEXP s_arg1) { OpenBabel::OBConformerData *result = 0 ;
10378   OpenBabel::OBConformerData *arg1 = 0 ; void *argp1 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
10379   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(s_arg1, &argp1, SWIGTYPE_p_OpenBabel__OBConformerData,  0 );
10380   if (!SWIG_IsOK(res1)) {
10381     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBConformerData" "', argument " "1"" of type '" "OpenBabel::OBConformerData const &""'");  }
10382    if (!argp1) {
10383     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBConformerData" "', argument " "1"" of type '" "OpenBabel::OBConformerData const &""'"); }
10384    arg1 = reinterpret_cast< OpenBabel::OBConformerData * >(argp1);
10385   result = (OpenBabel::OBConformerData *)new OpenBabel::OBConformerData((OpenBabel::OBConformerData const &)*arg1);
10386   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBConformerData, R_SWIG_OWNER |  0 );
10387   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBConformerData(SEXP self)10388 SWIGEXPORT SEXP R_swig_delete_OBConformerData ( SEXP self) {
10389   OpenBabel::OBConformerData *arg1 = (OpenBabel::OBConformerData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
10390   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10391   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerData, SWIG_POINTER_DISOWN |  0 );
10392   if (!SWIG_IsOK(res1)) {
10393     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBConformerData" "', argument " "1"" of type '" "OpenBabel::OBConformerData *""'");  }
10394    arg1 = reinterpret_cast< OpenBabel::OBConformerData * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
10395   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBConformerData_SetDimension(SEXP self,SEXP vd)10396 SWIGEXPORT SEXP R_swig_OBConformerData_SetDimension ( SEXP self, SEXP vd) {
10397   OpenBabel::OBConformerData *arg1 = (OpenBabel::OBConformerData *) 0 ;
10398   SwigValueWrapper< std::vector< unsigned short,std::allocator< unsigned short > > > arg2 ; void *argp1 = 0 ; int res1 = 0 ;
10399   void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10400   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10401     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerData_SetDimension" "', argument " "1"" of type '" "OpenBabel::OBConformerData *""'");  }
10402    arg1 = reinterpret_cast< OpenBabel::OBConformerData * >(argp1); {
10403     res2 = SWIG_R_ConvertPtr(vd, &argp2, SWIGTYPE_p_std__vectorT_unsigned_short_std__allocatorT_unsigned_short_t_t,  0 );
10404     if (!SWIG_IsOK(res2)) {
10405       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConformerData_SetDimension" "', argument " "2"" of type '" "std::vector< unsigned short,std::allocator< unsigned short > >""'");  }
10406        if (!argp2) {
10407       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBConformerData_SetDimension" "', argument " "2"" of type '" "std::vector< unsigned short,std::allocator< unsigned short > >""'"); }
10408      else { arg2 = *(reinterpret_cast< std::vector< unsigned short,std::allocator< unsigned short > > * >(argp2)); }  }
10409   (arg1)->SetDimension(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConformerData_SetEnergies(SEXP self,SEXP ve)10410 SWIGEXPORT SEXP R_swig_OBConformerData_SetEnergies ( SEXP self, SEXP ve) {
10411   OpenBabel::OBConformerData *arg1 = (OpenBabel::OBConformerData *) 0 ; std::vector< double,std::allocator< double > > arg2 ;
10412   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10413   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10414     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerData_SetEnergies" "', argument " "1"" of type '" "OpenBabel::OBConformerData *""'");  }
10415    arg1 = reinterpret_cast< OpenBabel::OBConformerData * >(argp1); {
10416     std::vector<double,std::allocator< double > > *ptr = (std::vector<double,std::allocator< double > > *)0;
10417     int res = swig::asptr(ve, &ptr); if (!SWIG_IsOK(res) || !ptr) {
10418       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBConformerData_SetEnergies" "', argument " "2"" of type '" "std::vector< double,std::allocator< double > >""'");  }
10419      arg2 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  (arg1)->SetEnergies(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
10420   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConformerData_SetForces(SEXP self,SEXP vf)10421 SWIGEXPORT SEXP R_swig_OBConformerData_SetForces ( SEXP self, SEXP vf) {
10422   OpenBabel::OBConformerData *arg1 = (OpenBabel::OBConformerData *) 0 ;
10423   std::vector< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > > arg2 ;
10424   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10425   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10426     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerData_SetForces" "', argument " "1"" of type '" "OpenBabel::OBConformerData *""'");  }
10427    arg1 = reinterpret_cast< OpenBabel::OBConformerData * >(argp1); {
10428     std::vector<std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > > *ptr = (std::vector<std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > > *)0;
10429     int res = swig::asptr(vf, &ptr); if (!SWIG_IsOK(res) || !ptr) {
10430       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBConformerData_SetForces" "', argument " "2"" of type '" "std::vector< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > >""'");  }
10431      arg2 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  (arg1)->SetForces(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
10432   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConformerData_SetVelocities(SEXP self,SEXP vv)10433 SWIGEXPORT SEXP R_swig_OBConformerData_SetVelocities ( SEXP self, SEXP vv) {
10434   OpenBabel::OBConformerData *arg1 = (OpenBabel::OBConformerData *) 0 ;
10435   std::vector< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > > arg2 ;
10436   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10437   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10438     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerData_SetVelocities" "', argument " "1"" of type '" "OpenBabel::OBConformerData *""'");  }
10439    arg1 = reinterpret_cast< OpenBabel::OBConformerData * >(argp1); {
10440     std::vector<std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > > *ptr = (std::vector<std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > > *)0;
10441     int res = swig::asptr(vv, &ptr); if (!SWIG_IsOK(res) || !ptr) {
10442       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBConformerData_SetVelocities" "', argument " "2"" of type '" "std::vector< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > >""'");  }
10443      arg2 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  (arg1)->SetVelocities(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
10444   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConformerData_SetDisplacements(SEXP self,SEXP vd)10445 SWIGEXPORT SEXP R_swig_OBConformerData_SetDisplacements ( SEXP self, SEXP vd) {
10446   OpenBabel::OBConformerData *arg1 = (OpenBabel::OBConformerData *) 0 ;
10447   std::vector< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > > arg2 ;
10448   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10449   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10450     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerData_SetDisplacements" "', argument " "1"" of type '" "OpenBabel::OBConformerData *""'");  }
10451    arg1 = reinterpret_cast< OpenBabel::OBConformerData * >(argp1); {
10452     std::vector<std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > > *ptr = (std::vector<std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > > *)0;
10453     int res = swig::asptr(vd, &ptr); if (!SWIG_IsOK(res) || !ptr) {
10454       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBConformerData_SetDisplacements" "', argument " "2"" of type '" "std::vector< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > >""'");  }
10455      arg2 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  (arg1)->SetDisplacements(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
10456   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConformerData_SetData(SEXP self,SEXP vdat)10457 SWIGEXPORT SEXP R_swig_OBConformerData_SetData ( SEXP self, SEXP vdat) {
10458   OpenBabel::OBConformerData *arg1 = (OpenBabel::OBConformerData *) 0 ;
10459   std::vector< std::string,std::allocator< std::string > > arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
10460   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10461   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10462     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerData_SetData" "', argument " "1"" of type '" "OpenBabel::OBConformerData *""'");  }
10463    arg1 = reinterpret_cast< OpenBabel::OBConformerData * >(argp1); {
10464     std::vector<std::string,std::allocator< std::string > > *ptr = (std::vector<std::string,std::allocator< std::string > > *)0;
10465     int res = swig::asptr(vdat, &ptr); if (!SWIG_IsOK(res) || !ptr) {
10466       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBConformerData_SetData" "', argument " "2"" of type '" "std::vector< std::string,std::allocator< std::string > >""'");  }
10467      arg2 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  (arg1)->SetData(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
10468   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConformerData_GetDimension(SEXP self,SEXP s_swig_copy)10469 SWIGEXPORT SEXP R_swig_OBConformerData_GetDimension ( SEXP self, SEXP s_swig_copy) {
10470   SwigValueWrapper< std::vector< unsigned short,std::allocator< unsigned short > > > result;
10471   OpenBabel::OBConformerData *arg1 = (OpenBabel::OBConformerData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
10472   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10473   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10474     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerData_GetDimension" "', argument " "1"" of type '" "OpenBabel::OBConformerData *""'");  }
10475    arg1 = reinterpret_cast< OpenBabel::OBConformerData * >(argp1); result = (arg1)->GetDimension();
10476   r_ans = SWIG_R_NewPointerObj((new std::vector< unsigned short,std::allocator< unsigned short > >(static_cast< const std::vector< unsigned short,std::allocator< unsigned short > >& >(result))), SWIGTYPE_p_std__vectorT_unsigned_short_std__allocatorT_unsigned_short_t_t, SWIG_POINTER_OWN |  0 );
10477   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConformerData_GetEnergies(SEXP self,SEXP s_swig_copy)10478 SWIGEXPORT SEXP R_swig_OBConformerData_GetEnergies ( SEXP self, SEXP s_swig_copy) {
10479   std::vector< double,std::allocator< double > > result; OpenBabel::OBConformerData *arg1 = (OpenBabel::OBConformerData *) 0 ;
10480   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10481   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10482     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerData_GetEnergies" "', argument " "1"" of type '" "OpenBabel::OBConformerData *""'");  }
10483    arg1 = reinterpret_cast< OpenBabel::OBConformerData * >(argp1); result = (arg1)->GetEnergies();
10484   r_ans = swig::from(static_cast< std::vector<double,std::allocator< double > > >(result)); vmaxset(r_vmax);
10485   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConformerData_GetForces(SEXP self,SEXP s_swig_copy)10486 SWIGEXPORT SEXP R_swig_OBConformerData_GetForces ( SEXP self, SEXP s_swig_copy) {
10487   std::vector< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > > result;
10488   OpenBabel::OBConformerData *arg1 = (OpenBabel::OBConformerData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
10489   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10490   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10491     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerData_GetForces" "', argument " "1"" of type '" "OpenBabel::OBConformerData *""'");  }
10492    arg1 = reinterpret_cast< OpenBabel::OBConformerData * >(argp1); result = (arg1)->GetForces();
10493   r_ans = swig::from(static_cast< std::vector<std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > > >(result));
10494   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConformerData_GetVelocities(SEXP self,SEXP s_swig_copy)10495 SWIGEXPORT SEXP R_swig_OBConformerData_GetVelocities ( SEXP self, SEXP s_swig_copy) {
10496   std::vector< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > > result;
10497   OpenBabel::OBConformerData *arg1 = (OpenBabel::OBConformerData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
10498   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10499   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10500     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerData_GetVelocities" "', argument " "1"" of type '" "OpenBabel::OBConformerData *""'");  }
10501    arg1 = reinterpret_cast< OpenBabel::OBConformerData * >(argp1); result = (arg1)->GetVelocities();
10502   r_ans = swig::from(static_cast< std::vector<std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > > >(result));
10503   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConformerData_GetDisplacements(SEXP self,SEXP s_swig_copy)10504 SWIGEXPORT SEXP R_swig_OBConformerData_GetDisplacements ( SEXP self, SEXP s_swig_copy) {
10505   std::vector< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > > result;
10506   OpenBabel::OBConformerData *arg1 = (OpenBabel::OBConformerData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
10507   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10508   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10509     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerData_GetDisplacements" "', argument " "1"" of type '" "OpenBabel::OBConformerData *""'");  }
10510    arg1 = reinterpret_cast< OpenBabel::OBConformerData * >(argp1); result = (arg1)->GetDisplacements();
10511   r_ans = swig::from(static_cast< std::vector<std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > > >(result));
10512   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConformerData_GetData(SEXP self,SEXP s_swig_copy)10513 SWIGEXPORT SEXP R_swig_OBConformerData_GetData ( SEXP self, SEXP s_swig_copy) {
10514   std::vector< std::string,std::allocator< std::string > > result;
10515   OpenBabel::OBConformerData *arg1 = (OpenBabel::OBConformerData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
10516   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10517   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10518     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerData_GetData" "', argument " "1"" of type '" "OpenBabel::OBConformerData *""'");  }
10519    arg1 = reinterpret_cast< OpenBabel::OBConformerData * >(argp1); result = (arg1)->GetData();
10520   r_ans = swig::from(static_cast< std::vector<std::string,std::allocator< std::string > > >(result)); vmaxset(r_vmax);
10521   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBSymmetryData__SWIG_0()10522 SWIGEXPORT SEXP R_swig_new_OBSymmetryData__SWIG_0 ( ) { OpenBabel::OBSymmetryData *result = 0 ; unsigned int r_nprotect = 0;
10523   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBSymmetryData *)new OpenBabel::OBSymmetryData();
10524   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBSymmetryData, R_SWIG_OWNER |  0 );
10525   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBSymmetryData__SWIG_1(SEXP s_arg1)10526 SWIGEXPORT SEXP R_swig_new_OBSymmetryData__SWIG_1 ( SEXP s_arg1) { OpenBabel::OBSymmetryData *result = 0 ;
10527   OpenBabel::OBSymmetryData *arg1 = 0 ; void *argp1 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
10528   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(s_arg1, &argp1, SWIGTYPE_p_OpenBabel__OBSymmetryData,  0 );
10529   if (!SWIG_IsOK(res1)) {
10530     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBSymmetryData" "', argument " "1"" of type '" "OpenBabel::OBSymmetryData const &""'");  }
10531    if (!argp1) {
10532     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBSymmetryData" "', argument " "1"" of type '" "OpenBabel::OBSymmetryData const &""'"); }
10533    arg1 = reinterpret_cast< OpenBabel::OBSymmetryData * >(argp1);
10534   result = (OpenBabel::OBSymmetryData *)new OpenBabel::OBSymmetryData((OpenBabel::OBSymmetryData const &)*arg1);
10535   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBSymmetryData, R_SWIG_OWNER |  0 );
10536   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBSymmetryData(SEXP self)10537 SWIGEXPORT SEXP R_swig_delete_OBSymmetryData ( SEXP self) { OpenBabel::OBSymmetryData *arg1 = (OpenBabel::OBSymmetryData *) 0 ;
10538   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10539   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSymmetryData, SWIG_POINTER_DISOWN |  0 );
10540   if (!SWIG_IsOK(res1)) {
10541     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBSymmetryData" "', argument " "1"" of type '" "OpenBabel::OBSymmetryData *""'");  }
10542    arg1 = reinterpret_cast< OpenBabel::OBSymmetryData * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
10543   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBSymmetryData_SetData__SWIG_0(SEXP self,SEXP pg,SEXP sg)10544 SWIGEXPORT SEXP R_swig_OBSymmetryData_SetData__SWIG_0 ( SEXP self, SEXP pg, SEXP sg) {
10545   OpenBabel::OBSymmetryData *arg1 = (OpenBabel::OBSymmetryData *) 0 ; std::string arg2 ; std::string arg3 ; void *argp1 = 0 ;
10546   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10547   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSymmetryData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10548     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSymmetryData_SetData" "', argument " "1"" of type '" "OpenBabel::OBSymmetryData *""'");  }
10549    arg1 = reinterpret_cast< OpenBabel::OBSymmetryData * >(argp1); { std::string *ptr = (std::string *)0;
10550     int res = SWIG_AsPtr_std_string(pg, &ptr); if (!SWIG_IsOK(res) || !ptr) {
10551       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBSymmetryData_SetData" "', argument " "2"" of type '" "std::string""'");  }
10552      arg2 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  { std::string *ptr = (std::string *)0;
10553     int res = SWIG_AsPtr_std_string(sg, &ptr); if (!SWIG_IsOK(res) || !ptr) {
10554       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBSymmetryData_SetData" "', argument " "3"" of type '" "std::string""'");  }
10555      arg3 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  (arg1)->SetData(arg2,arg3); r_ans = R_NilValue; vmaxset(r_vmax);
10556   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSymmetryData_SetData__SWIG_1(SEXP self,SEXP pg)10557 SWIGEXPORT SEXP R_swig_OBSymmetryData_SetData__SWIG_1 ( SEXP self, SEXP pg) {
10558   OpenBabel::OBSymmetryData *arg1 = (OpenBabel::OBSymmetryData *) 0 ; std::string arg2 ; void *argp1 = 0 ; int res1 = 0 ;
10559   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10560   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSymmetryData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10561     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSymmetryData_SetData" "', argument " "1"" of type '" "OpenBabel::OBSymmetryData *""'");  }
10562    arg1 = reinterpret_cast< OpenBabel::OBSymmetryData * >(argp1); { std::string *ptr = (std::string *)0;
10563     int res = SWIG_AsPtr_std_string(pg, &ptr); if (!SWIG_IsOK(res) || !ptr) {
10564       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBSymmetryData_SetData" "', argument " "2"" of type '" "std::string""'");  }
10565      arg2 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  (arg1)->SetData(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
10566   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSymmetryData_SetPointGroup(SEXP self,SEXP pg)10567 SWIGEXPORT SEXP R_swig_OBSymmetryData_SetPointGroup ( SEXP self, SEXP pg) {
10568   OpenBabel::OBSymmetryData *arg1 = (OpenBabel::OBSymmetryData *) 0 ; std::string arg2 ; void *argp1 = 0 ; int res1 = 0 ;
10569   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10570   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSymmetryData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10571     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSymmetryData_SetPointGroup" "', argument " "1"" of type '" "OpenBabel::OBSymmetryData *""'");  }
10572    arg1 = reinterpret_cast< OpenBabel::OBSymmetryData * >(argp1); { std::string *ptr = (std::string *)0;
10573     int res = SWIG_AsPtr_std_string(pg, &ptr); if (!SWIG_IsOK(res) || !ptr) {
10574       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBSymmetryData_SetPointGroup" "', argument " "2"" of type '" "std::string""'");  }
10575      arg2 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  (arg1)->SetPointGroup(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
10576   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSymmetryData_SetSpaceGroup(SEXP self,SEXP sg)10577 SWIGEXPORT SEXP R_swig_OBSymmetryData_SetSpaceGroup ( SEXP self, SEXP sg) {
10578   OpenBabel::OBSymmetryData *arg1 = (OpenBabel::OBSymmetryData *) 0 ; std::string arg2 ; void *argp1 = 0 ; int res1 = 0 ;
10579   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10580   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSymmetryData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10581     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSymmetryData_SetSpaceGroup" "', argument " "1"" of type '" "OpenBabel::OBSymmetryData *""'");  }
10582    arg1 = reinterpret_cast< OpenBabel::OBSymmetryData * >(argp1); { std::string *ptr = (std::string *)0;
10583     int res = SWIG_AsPtr_std_string(sg, &ptr); if (!SWIG_IsOK(res) || !ptr) {
10584       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBSymmetryData_SetSpaceGroup" "', argument " "2"" of type '" "std::string""'");  }
10585      arg2 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  (arg1)->SetSpaceGroup(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
10586   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSymmetryData_GetPointGroup(SEXP self,SEXP s_swig_copy)10587 SWIGEXPORT SEXP R_swig_OBSymmetryData_GetPointGroup ( SEXP self, SEXP s_swig_copy) { std::string result;
10588   OpenBabel::OBSymmetryData *arg1 = (OpenBabel::OBSymmetryData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
10589   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10590   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSymmetryData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10591     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSymmetryData_GetPointGroup" "', argument " "1"" of type '" "OpenBabel::OBSymmetryData *""'");  }
10592    arg1 = reinterpret_cast< OpenBabel::OBSymmetryData * >(argp1); result = (arg1)->GetPointGroup();
10593   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
10594   return r_ans; }
R_swig_OBSymmetryData_GetSpaceGroup(SEXP self,SEXP s_swig_copy)10595 SWIGEXPORT SEXP R_swig_OBSymmetryData_GetSpaceGroup ( SEXP self, SEXP s_swig_copy) { std::string result;
10596   OpenBabel::OBSymmetryData *arg1 = (OpenBabel::OBSymmetryData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
10597   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10598   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSymmetryData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10599     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSymmetryData_GetSpaceGroup" "', argument " "1"" of type '" "OpenBabel::OBSymmetryData *""'");  }
10600    arg1 = reinterpret_cast< OpenBabel::OBSymmetryData * >(argp1); result = (arg1)->GetSpaceGroup();
10601   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
10602   return r_ans; }
R_swig_new_OBTorsion__SWIG_2(SEXP s_arg1)10603 SWIGEXPORT SEXP R_swig_new_OBTorsion__SWIG_2 ( SEXP s_arg1) { OpenBabel::OBTorsion *result = 0 ;
10604   OpenBabel::OBTorsion *arg1 = 0 ; void *argp1 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
10605   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(s_arg1, &argp1, SWIGTYPE_p_OpenBabel__OBTorsion,  0 );
10606   if (!SWIG_IsOK(res1)) {
10607     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBTorsion" "', argument " "1"" of type '" "OpenBabel::OBTorsion const &""'");  }
10608    if (!argp1) {
10609     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBTorsion" "', argument " "1"" of type '" "OpenBabel::OBTorsion const &""'"); }
10610    arg1 = reinterpret_cast< OpenBabel::OBTorsion * >(argp1);
10611   result = (OpenBabel::OBTorsion *)new OpenBabel::OBTorsion((OpenBabel::OBTorsion const &)*arg1);
10612   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBTorsion, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
10613   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBTorsion(SEXP self)10614 SWIGEXPORT SEXP R_swig_delete_OBTorsion ( SEXP self) { OpenBabel::OBTorsion *arg1 = (OpenBabel::OBTorsion *) 0 ;
10615   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10616   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTorsion, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
10617     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBTorsion" "', argument " "1"" of type '" "OpenBabel::OBTorsion *""'");  }
10618    arg1 = reinterpret_cast< OpenBabel::OBTorsion * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
10619   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBTorsion_Clear(SEXP self)10620 SWIGEXPORT SEXP R_swig_OBTorsion_Clear ( SEXP self) { OpenBabel::OBTorsion *arg1 = (OpenBabel::OBTorsion *) 0 ;
10621   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10622   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTorsion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10623     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTorsion_Clear" "', argument " "1"" of type '" "OpenBabel::OBTorsion *""'");  }
10624    arg1 = reinterpret_cast< OpenBabel::OBTorsion * >(argp1); (arg1)->Clear(); r_ans = R_NilValue; vmaxset(r_vmax);
10625   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBTorsion_Empty(SEXP self,SEXP s_swig_copy)10626 SWIGEXPORT SEXP R_swig_OBTorsion_Empty ( SEXP self, SEXP s_swig_copy) { bool result;
10627   OpenBabel::OBTorsion *arg1 = (OpenBabel::OBTorsion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
10628   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10629   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTorsion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10630     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTorsion_Empty" "', argument " "1"" of type '" "OpenBabel::OBTorsion *""'");  }
10631    arg1 = reinterpret_cast< OpenBabel::OBTorsion * >(argp1); result = (bool)(arg1)->Empty(); r_ans = Rf_ScalarLogical(result);
10632   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBTorsion_AddTorsion__SWIG_0(SEXP self,SEXP a,SEXP b,SEXP c,SEXP d,SEXP s_swig_copy)10633 SWIGEXPORT SEXP R_swig_OBTorsion_AddTorsion__SWIG_0 ( SEXP self, SEXP a, SEXP b, SEXP c, SEXP d, SEXP s_swig_copy) {
10634   bool result; OpenBabel::OBTorsion *arg1 = (OpenBabel::OBTorsion *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
10635   OpenBabel::OBAtom *arg3 = (OpenBabel::OBAtom *) 0 ; OpenBabel::OBAtom *arg4 = (OpenBabel::OBAtom *) 0 ;
10636   OpenBabel::OBAtom *arg5 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
10637   void *argp3 = 0 ; int res3 = 0 ; void *argp4 = 0 ; int res4 = 0 ; void *argp5 = 0 ; int res5 = 0 ;
10638   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10639   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTorsion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10640     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTorsion_AddTorsion" "', argument " "1"" of type '" "OpenBabel::OBTorsion *""'");  }
10641    arg1 = reinterpret_cast< OpenBabel::OBTorsion * >(argp1);
10642   res2 = SWIG_R_ConvertPtr(a, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
10643     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBTorsion_AddTorsion" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
10644    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2);
10645   res3 = SWIG_R_ConvertPtr(b, &argp3, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res3)) {
10646     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBTorsion_AddTorsion" "', argument " "3"" of type '" "OpenBabel::OBAtom *""'");  }
10647    arg3 = reinterpret_cast< OpenBabel::OBAtom * >(argp3);
10648   res4 = SWIG_R_ConvertPtr(c, &argp4, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res4)) {
10649     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "OBTorsion_AddTorsion" "', argument " "4"" of type '" "OpenBabel::OBAtom *""'");  }
10650    arg4 = reinterpret_cast< OpenBabel::OBAtom * >(argp4);
10651   res5 = SWIG_R_ConvertPtr(d, &argp5, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res5)) {
10652     SWIG_exception_fail(SWIG_ArgError(res5), "in method '" "OBTorsion_AddTorsion" "', argument " "5"" of type '" "OpenBabel::OBAtom *""'");  }
10653    arg5 = reinterpret_cast< OpenBabel::OBAtom * >(argp5); result = (bool)(arg1)->AddTorsion(arg2,arg3,arg4,arg5);
10654   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBTorsion_AddTorsion__SWIG_1(SEXP self,SEXP atoms,SEXP s_swig_copy)10655 SWIGEXPORT SEXP R_swig_OBTorsion_AddTorsion__SWIG_1 ( SEXP self, SEXP atoms, SEXP s_swig_copy) { bool result;
10656   OpenBabel::OBTorsion *arg1 = (OpenBabel::OBTorsion *) 0 ;
10657   OpenBabel::quad< OpenBabel::OBAtom *,OpenBabel::OBAtom *,OpenBabel::OBAtom *,OpenBabel::OBAtom * > *arg2 = 0 ;
10658   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
10659   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTorsion, 0 |  0 );
10660   if (!SWIG_IsOK(res1)) {
10661     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTorsion_AddTorsion" "', argument " "1"" of type '" "OpenBabel::OBTorsion *""'");  }
10662    arg1 = reinterpret_cast< OpenBabel::OBTorsion * >(argp1);
10663   res2 = SWIG_R_ConvertPtr(atoms, &argp2, SWIGTYPE_p_OpenBabel__quadT_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t,  0 );
10664   if (!SWIG_IsOK(res2)) {
10665     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBTorsion_AddTorsion" "', argument " "2"" of type '" "OpenBabel::quad< OpenBabel::OBAtom *,OpenBabel::OBAtom *,OpenBabel::OBAtom *,OpenBabel::OBAtom * > &""'");  }
10666    if (!argp2) {
10667     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBTorsion_AddTorsion" "', argument " "2"" of type '" "OpenBabel::quad< OpenBabel::OBAtom *,OpenBabel::OBAtom *,OpenBabel::OBAtom *,OpenBabel::OBAtom * > &""'"); }
10668 
10669   arg2 = reinterpret_cast< OpenBabel::quad< OpenBabel::OBAtom *,OpenBabel::OBAtom *,OpenBabel::OBAtom *,OpenBabel::OBAtom * > * >(argp2);
10670   result = (bool)(arg1)->AddTorsion(*arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
10671   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBTorsion_SetAngle__SWIG_0(SEXP self,SEXP radians,SEXP index,SEXP s_swig_copy)10672 SWIGEXPORT SEXP R_swig_OBTorsion_SetAngle__SWIG_0 ( SEXP self, SEXP radians, SEXP index, SEXP s_swig_copy) { bool result;
10673   OpenBabel::OBTorsion *arg1 = (OpenBabel::OBTorsion *) 0 ; double arg2 ; unsigned int arg3 ; void *argp1 = 0 ; int res1 = 0 ;
10674   int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10675   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTorsion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10676     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTorsion_SetAngle" "', argument " "1"" of type '" "OpenBabel::OBTorsion *""'");  }
10677    arg1 = reinterpret_cast< OpenBabel::OBTorsion * >(argp1); arg2 = static_cast< double >(REAL(radians)[0]);
10678   ecode3 = SWIG_AsVal_int(index, &val3); if (!SWIG_IsOK(ecode3)) {
10679     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "OBTorsion_SetAngle" "', argument " "3"" of type '" "unsigned int""'"); }
10680     arg3 = static_cast< unsigned int >(val3); result = (bool)(arg1)->SetAngle(arg2,arg3); r_ans = Rf_ScalarLogical(result);
10681   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBTorsion_SetAngle__SWIG_1(SEXP self,SEXP radians,SEXP s_swig_copy)10682 SWIGEXPORT SEXP R_swig_OBTorsion_SetAngle__SWIG_1 ( SEXP self, SEXP radians, SEXP s_swig_copy) { bool result;
10683   OpenBabel::OBTorsion *arg1 = (OpenBabel::OBTorsion *) 0 ; double arg2 ; void *argp1 = 0 ; int res1 = 0 ;
10684   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10685   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTorsion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10686     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTorsion_SetAngle" "', argument " "1"" of type '" "OpenBabel::OBTorsion *""'");  }
10687    arg1 = reinterpret_cast< OpenBabel::OBTorsion * >(argp1); arg2 = static_cast< double >(REAL(radians)[0]);
10688   result = (bool)(arg1)->SetAngle(arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
10689   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBTorsion_SetData(SEXP self,SEXP s_arg2,SEXP s_swig_copy)10690 SWIGEXPORT SEXP R_swig_OBTorsion_SetData ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
10691   OpenBabel::OBTorsion *arg1 = (OpenBabel::OBTorsion *) 0 ; OpenBabel::OBBond *arg2 = (OpenBabel::OBBond *) 0 ;
10692   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
10693   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTorsion, 0 |  0 );
10694   if (!SWIG_IsOK(res1)) {
10695     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTorsion_SetData" "', argument " "1"" of type '" "OpenBabel::OBTorsion *""'");  }
10696    arg1 = reinterpret_cast< OpenBabel::OBTorsion * >(argp1);
10697   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res2)) {
10698     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBTorsion_SetData" "', argument " "2"" of type '" "OpenBabel::OBBond *""'");  }
10699    arg2 = reinterpret_cast< OpenBabel::OBBond * >(argp2); result = (bool)(arg1)->SetData(arg2);
10700   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBTorsion_GetAngle__SWIG_0(SEXP self,SEXP radians,SEXP index,SEXP s_swig_copy)10701 SWIGEXPORT SEXP R_swig_OBTorsion_GetAngle__SWIG_0 ( SEXP self, SEXP radians, SEXP index, SEXP s_swig_copy) { bool result;
10702   OpenBabel::OBTorsion *arg1 = (OpenBabel::OBTorsion *) 0 ; double *arg2 = 0 ; unsigned int arg3 ; void *argp1 = 0 ;
10703   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0;
10704   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10705   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTorsion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10706     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTorsion_GetAngle" "', argument " "1"" of type '" "OpenBabel::OBTorsion *""'");  }
10707    arg1 = reinterpret_cast< OpenBabel::OBTorsion * >(argp1); res2 = SWIG_R_ConvertPtr(radians, &argp2, SWIGTYPE_p_double,  0 );
10708   if (!SWIG_IsOK(res2)) {
10709     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBTorsion_GetAngle" "', argument " "2"" of type '" "double &""'");  }
10710    if (!argp2) {
10711     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBTorsion_GetAngle" "', argument " "2"" of type '" "double &""'"); }
10712    arg2 = reinterpret_cast< double * >(argp2); ecode3 = SWIG_AsVal_int(index, &val3); if (!SWIG_IsOK(ecode3)) {
10713     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "OBTorsion_GetAngle" "', argument " "3"" of type '" "unsigned int""'"); }
10714     arg3 = static_cast< unsigned int >(val3); result = (bool)(arg1)->GetAngle(*arg2,arg3); r_ans = Rf_ScalarLogical(result);
10715   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBTorsion_GetAngle__SWIG_1(SEXP self,SEXP radians,SEXP s_swig_copy)10716 SWIGEXPORT SEXP R_swig_OBTorsion_GetAngle__SWIG_1 ( SEXP self, SEXP radians, SEXP s_swig_copy) { bool result;
10717   OpenBabel::OBTorsion *arg1 = (OpenBabel::OBTorsion *) 0 ; double *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
10718   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10719   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTorsion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10720     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTorsion_GetAngle" "', argument " "1"" of type '" "OpenBabel::OBTorsion *""'");  }
10721    arg1 = reinterpret_cast< OpenBabel::OBTorsion * >(argp1); res2 = SWIG_R_ConvertPtr(radians, &argp2, SWIGTYPE_p_double,  0 );
10722   if (!SWIG_IsOK(res2)) {
10723     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBTorsion_GetAngle" "', argument " "2"" of type '" "double &""'");  }
10724    if (!argp2) {
10725     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBTorsion_GetAngle" "', argument " "2"" of type '" "double &""'"); }
10726    arg2 = reinterpret_cast< double * >(argp2); result = (bool)(arg1)->GetAngle(*arg2); r_ans = Rf_ScalarLogical(result);
10727   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBTorsion_GetBondIdx(SEXP self,SEXP s_swig_copy)10728 SWIGEXPORT SEXP R_swig_OBTorsion_GetBondIdx ( SEXP self, SEXP s_swig_copy) { unsigned int result;
10729   OpenBabel::OBTorsion *arg1 = (OpenBabel::OBTorsion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
10730   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10731   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTorsion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10732     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTorsion_GetBondIdx" "', argument " "1"" of type '" "OpenBabel::OBTorsion *""'");  }
10733    arg1 = reinterpret_cast< OpenBabel::OBTorsion * >(argp1); result = (unsigned int)(arg1)->GetBondIdx();
10734   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBTorsion_GetSize(SEXP self,SEXP s_swig_copy)10735 SWIGEXPORT SEXP R_swig_OBTorsion_GetSize ( SEXP self, SEXP s_swig_copy) { size_t result;
10736   OpenBabel::OBTorsion *arg1 = (OpenBabel::OBTorsion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
10737   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10738   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTorsion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10739     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTorsion_GetSize" "', argument " "1"" of type '" "OpenBabel::OBTorsion const *""'");  }
10740    arg1 = reinterpret_cast< OpenBabel::OBTorsion * >(argp1); result = ((OpenBabel::OBTorsion const *)arg1)->GetSize();
10741   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBTorsion_GetBC(SEXP self,SEXP s_swig_copy)10742 SWIGEXPORT SEXP R_swig_OBTorsion_GetBC ( SEXP self, SEXP s_swig_copy) {
10743   SwigValueWrapper< std::pair< OpenBabel::OBAtom *,OpenBabel::OBAtom * > > result;
10744   OpenBabel::OBTorsion *arg1 = (OpenBabel::OBTorsion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
10745   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10746   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTorsion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10747     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTorsion_GetBC" "', argument " "1"" of type '" "OpenBabel::OBTorsion *""'");  }
10748    arg1 = reinterpret_cast< OpenBabel::OBTorsion * >(argp1); result = (arg1)->GetBC();
10749   r_ans = SWIG_R_NewPointerObj((new std::pair< OpenBabel::OBAtom *,OpenBabel::OBAtom * >(static_cast< const std::pair< OpenBabel::OBAtom *,OpenBabel::OBAtom * >& >(result))), SWIGTYPE_p_std__pairT_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t, SWIG_POINTER_OWN |  0 );
10750   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBTorsion_GetADs(SEXP self,SEXP s_swig_copy)10751 SWIGEXPORT SEXP R_swig_OBTorsion_GetADs ( SEXP self, SEXP s_swig_copy) {
10752   SwigValueWrapper< std::vector< OpenBabel::triple< OpenBabel::OBAtom *,OpenBabel::OBAtom *,double >,std::allocator< OpenBabel::triple< OpenBabel::OBAtom *,OpenBabel::OBAtom *,double > > > > result;
10753   OpenBabel::OBTorsion *arg1 = (OpenBabel::OBTorsion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
10754   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10755   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTorsion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10756     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTorsion_GetADs" "', argument " "1"" of type '" "OpenBabel::OBTorsion *""'");  }
10757    arg1 = reinterpret_cast< OpenBabel::OBTorsion * >(argp1); result = (arg1)->GetADs();
10758   r_ans = SWIG_R_NewPointerObj((new std::vector< OpenBabel::triple< OpenBabel::OBAtom *,OpenBabel::OBAtom *,double >,std::allocator< OpenBabel::triple< OpenBabel::OBAtom *,OpenBabel::OBAtom *,double > > >(static_cast< const std::vector< OpenBabel::triple< OpenBabel::OBAtom *,OpenBabel::OBAtom *,double >,std::allocator< OpenBabel::triple< OpenBabel::OBAtom *,OpenBabel::OBAtom *,double > > >& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__tripleT_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_double_t_std__allocatorT_OpenBabel__tripleT_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_double_t_t_t, SWIG_POINTER_OWN |  0 );
10759   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBTorsion_IsProtonRotor(SEXP self,SEXP s_swig_copy)10760 SWIGEXPORT SEXP R_swig_OBTorsion_IsProtonRotor ( SEXP self, SEXP s_swig_copy) { bool result;
10761   OpenBabel::OBTorsion *arg1 = (OpenBabel::OBTorsion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
10762   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10763   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTorsion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10764     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTorsion_IsProtonRotor" "', argument " "1"" of type '" "OpenBabel::OBTorsion *""'");  }
10765    arg1 = reinterpret_cast< OpenBabel::OBTorsion * >(argp1); result = (bool)(arg1)->IsProtonRotor();
10766   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBTorsionData_Clear(SEXP self)10767 SWIGEXPORT SEXP R_swig_OBTorsionData_Clear ( SEXP self) { OpenBabel::OBTorsionData *arg1 = (OpenBabel::OBTorsionData *) 0 ;
10768   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10769   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTorsionData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10770     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTorsionData_Clear" "', argument " "1"" of type '" "OpenBabel::OBTorsionData *""'");  }
10771    arg1 = reinterpret_cast< OpenBabel::OBTorsionData * >(argp1); (arg1)->Clear(); r_ans = R_NilValue; vmaxset(r_vmax);
10772   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBTorsionData_GetData(SEXP self,SEXP s_swig_copy)10773 SWIGEXPORT SEXP R_swig_OBTorsionData_GetData ( SEXP self, SEXP s_swig_copy) {
10774   SwigValueWrapper< std::vector< OpenBabel::OBTorsion,std::allocator< OpenBabel::OBTorsion > > > result;
10775   OpenBabel::OBTorsionData *arg1 = (OpenBabel::OBTorsionData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
10776   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10777   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTorsionData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10778     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTorsionData_GetData" "', argument " "1"" of type '" "OpenBabel::OBTorsionData const *""'");  }
10779    arg1 = reinterpret_cast< OpenBabel::OBTorsionData * >(argp1); result = ((OpenBabel::OBTorsionData const *)arg1)->GetData();
10780   r_ans = SWIG_R_NewPointerObj((new std::vector< OpenBabel::OBTorsion,std::allocator< OpenBabel::OBTorsion > >(static_cast< const std::vector< OpenBabel::OBTorsion,std::allocator< OpenBabel::OBTorsion > >& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBTorsion_std__allocatorT_OpenBabel__OBTorsion_t_t, SWIG_POINTER_OWN |  0 );
10781   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBTorsionData_GetSize(SEXP self,SEXP s_swig_copy)10782 SWIGEXPORT SEXP R_swig_OBTorsionData_GetSize ( SEXP self, SEXP s_swig_copy) { size_t result;
10783   OpenBabel::OBTorsionData *arg1 = (OpenBabel::OBTorsionData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
10784   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10785   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTorsionData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10786     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTorsionData_GetSize" "', argument " "1"" of type '" "OpenBabel::OBTorsionData const *""'");  }
10787    arg1 = reinterpret_cast< OpenBabel::OBTorsionData * >(argp1); result = ((OpenBabel::OBTorsionData const *)arg1)->GetSize();
10788   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBTorsionData_SetData(SEXP self,SEXP torsion)10789 SWIGEXPORT SEXP R_swig_OBTorsionData_SetData ( SEXP self, SEXP torsion) {
10790   OpenBabel::OBTorsionData *arg1 = (OpenBabel::OBTorsionData *) 0 ; OpenBabel::OBTorsion *arg2 = 0 ; void *argp1 = 0 ;
10791   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
10792   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTorsionData, 0 |  0 );
10793   if (!SWIG_IsOK(res1)) {
10794     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTorsionData_SetData" "', argument " "1"" of type '" "OpenBabel::OBTorsionData *""'");  }
10795    arg1 = reinterpret_cast< OpenBabel::OBTorsionData * >(argp1);
10796   res2 = SWIG_R_ConvertPtr(torsion, &argp2, SWIGTYPE_p_OpenBabel__OBTorsion,  0 ); if (!SWIG_IsOK(res2)) {
10797     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBTorsionData_SetData" "', argument " "2"" of type '" "OpenBabel::OBTorsion &""'");  }
10798    if (!argp2) {
10799     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBTorsionData_SetData" "', argument " "2"" of type '" "OpenBabel::OBTorsion &""'"); }
10800    arg2 = reinterpret_cast< OpenBabel::OBTorsion * >(argp2); (arg1)->SetData(*arg2); r_ans = R_NilValue; vmaxset(r_vmax);
10801   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBTorsionData_FillTorsionArray(SEXP self,SEXP torsions,SEXP s_swig_copy)10802 SWIGEXPORT SEXP R_swig_OBTorsionData_FillTorsionArray ( SEXP self, SEXP torsions, SEXP s_swig_copy) { bool result;
10803   OpenBabel::OBTorsionData *arg1 = (OpenBabel::OBTorsionData *) 0 ;
10804   std::vector< std::vector< unsigned int,std::allocator< unsigned int > >,std::allocator< std::vector< unsigned int,std::allocator< unsigned int > > > > *arg2 = 0 ;
10805   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
10806   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTorsionData, 0 |  0 );
10807   if (!SWIG_IsOK(res1)) {
10808     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTorsionData_FillTorsionArray" "', argument " "1"" of type '" "OpenBabel::OBTorsionData *""'");  }
10809    arg1 = reinterpret_cast< OpenBabel::OBTorsionData * >(argp1);
10810   res2 = SWIG_R_ConvertPtr(torsions, &argp2, SWIGTYPE_p_std__vectorT_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t_std__allocatorT_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t_t_t,  0 );
10811   if (!SWIG_IsOK(res2)) {
10812     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBTorsionData_FillTorsionArray" "', argument " "2"" of type '" "std::vector< std::vector< unsigned int,std::allocator< unsigned int > >,std::allocator< std::vector< unsigned int,std::allocator< unsigned int > > > > &""'");  }
10813    if (!argp2) {
10814     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBTorsionData_FillTorsionArray" "', argument " "2"" of type '" "std::vector< std::vector< unsigned int,std::allocator< unsigned int > >,std::allocator< std::vector< unsigned int,std::allocator< unsigned int > > > > &""'"); }
10815 
10816   arg2 = reinterpret_cast< std::vector< std::vector< unsigned int,std::allocator< unsigned int > >,std::allocator< std::vector< unsigned int,std::allocator< unsigned int > > > > * >(argp2);
10817   result = (bool)(arg1)->FillTorsionArray(*arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
10818   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBTorsionData(SEXP self)10819 SWIGEXPORT SEXP R_swig_delete_OBTorsionData ( SEXP self) { OpenBabel::OBTorsionData *arg1 = (OpenBabel::OBTorsionData *) 0 ;
10820   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10821   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTorsionData, SWIG_POINTER_DISOWN |  0 );
10822   if (!SWIG_IsOK(res1)) {
10823     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBTorsionData" "', argument " "1"" of type '" "OpenBabel::OBTorsionData *""'");  }
10824    arg1 = reinterpret_cast< OpenBabel::OBTorsionData * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
10825   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_new_OBAngle__SWIG_2(SEXP s_arg1)10826 SWIGEXPORT SEXP R_swig_new_OBAngle__SWIG_2 ( SEXP s_arg1) { OpenBabel::OBAngle *result = 0 ; OpenBabel::OBAngle *arg1 = 0 ;
10827   void *argp1 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10828   res1 = SWIG_R_ConvertPtr(s_arg1, &argp1, SWIGTYPE_p_OpenBabel__OBAngle,  0 ); if (!SWIG_IsOK(res1)) {
10829     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBAngle" "', argument " "1"" of type '" "OpenBabel::OBAngle const &""'");  }
10830    if (!argp1) {
10831     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBAngle" "', argument " "1"" of type '" "OpenBabel::OBAngle const &""'"); }
10832    arg1 = reinterpret_cast< OpenBabel::OBAngle * >(argp1);
10833   result = (OpenBabel::OBAngle *)new OpenBabel::OBAngle((OpenBabel::OBAngle const &)*arg1);
10834   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAngle, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
10835   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBAngle(SEXP self)10836 SWIGEXPORT SEXP R_swig_delete_OBAngle ( SEXP self) { OpenBabel::OBAngle *arg1 = (OpenBabel::OBAngle *) 0 ; void *argp1 = 0 ;
10837   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10838   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAngle, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
10839     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBAngle" "', argument " "1"" of type '" "OpenBabel::OBAngle *""'");  }
10840    arg1 = reinterpret_cast< OpenBabel::OBAngle * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
10841   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBAngle_Clear(SEXP self)10842 SWIGEXPORT SEXP R_swig_OBAngle_Clear ( SEXP self) { OpenBabel::OBAngle *arg1 = (OpenBabel::OBAngle *) 0 ; void *argp1 = 0 ;
10843   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10844   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAngle, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10845     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAngle_Clear" "', argument " "1"" of type '" "OpenBabel::OBAngle *""'");  }
10846    arg1 = reinterpret_cast< OpenBabel::OBAngle * >(argp1); (arg1)->Clear(); r_ans = R_NilValue; vmaxset(r_vmax);
10847   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAngle_GetAngle(SEXP self,SEXP s_swig_copy)10848 SWIGEXPORT SEXP R_swig_OBAngle_GetAngle ( SEXP self, SEXP s_swig_copy) { double result;
10849   OpenBabel::OBAngle *arg1 = (OpenBabel::OBAngle *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
10850   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10851   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAngle, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10852     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAngle_GetAngle" "', argument " "1"" of type '" "OpenBabel::OBAngle const *""'");  }
10853    arg1 = reinterpret_cast< OpenBabel::OBAngle * >(argp1); result = (double)((OpenBabel::OBAngle const *)arg1)->GetAngle();
10854   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
10855   return r_ans; }
R_swig_OBAngle_SetAngle(SEXP self,SEXP angle)10856 SWIGEXPORT SEXP R_swig_OBAngle_SetAngle ( SEXP self, SEXP angle) { OpenBabel::OBAngle *arg1 = (OpenBabel::OBAngle *) 0 ;
10857   double arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
10858   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAngle, 0 |  0 );
10859   if (!SWIG_IsOK(res1)) {
10860     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAngle_SetAngle" "', argument " "1"" of type '" "OpenBabel::OBAngle *""'");  }
10861    arg1 = reinterpret_cast< OpenBabel::OBAngle * >(argp1); arg2 = static_cast< double >(REAL(angle)[0]); (arg1)->SetAngle(arg2);
10862   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAngle_SetAtoms__SWIG_0(SEXP self,SEXP vertex,SEXP a,SEXP b)10863 SWIGEXPORT SEXP R_swig_OBAngle_SetAtoms__SWIG_0 ( SEXP self, SEXP vertex, SEXP a, SEXP b) {
10864   OpenBabel::OBAngle *arg1 = (OpenBabel::OBAngle *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
10865   OpenBabel::OBAtom *arg3 = (OpenBabel::OBAtom *) 0 ; OpenBabel::OBAtom *arg4 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ;
10866   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; void *argp4 = 0 ; int res4 = 0 ;
10867   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10868   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAngle, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10869     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAngle_SetAtoms" "', argument " "1"" of type '" "OpenBabel::OBAngle *""'");  }
10870    arg1 = reinterpret_cast< OpenBabel::OBAngle * >(argp1);
10871   res2 = SWIG_R_ConvertPtr(vertex, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
10872     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAngle_SetAtoms" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
10873    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2);
10874   res3 = SWIG_R_ConvertPtr(a, &argp3, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res3)) {
10875     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBAngle_SetAtoms" "', argument " "3"" of type '" "OpenBabel::OBAtom *""'");  }
10876    arg3 = reinterpret_cast< OpenBabel::OBAtom * >(argp3);
10877   res4 = SWIG_R_ConvertPtr(b, &argp4, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res4)) {
10878     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "OBAngle_SetAtoms" "', argument " "4"" of type '" "OpenBabel::OBAtom *""'");  }
10879    arg4 = reinterpret_cast< OpenBabel::OBAtom * >(argp4); (arg1)->SetAtoms(arg2,arg3,arg4); r_ans = R_NilValue; vmaxset(r_vmax);
10880   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAngle_SetAtoms__SWIG_1(SEXP self,SEXP atoms)10881 SWIGEXPORT SEXP R_swig_OBAngle_SetAtoms__SWIG_1 ( SEXP self, SEXP atoms) { OpenBabel::OBAngle *arg1 = (OpenBabel::OBAngle *) 0 ;
10882   OpenBabel::triple< OpenBabel::OBAtom *,OpenBabel::OBAtom *,OpenBabel::OBAtom * > *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
10883   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10884   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAngle, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10885     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAngle_SetAtoms" "', argument " "1"" of type '" "OpenBabel::OBAngle *""'");  }
10886    arg1 = reinterpret_cast< OpenBabel::OBAngle * >(argp1);
10887   res2 = SWIG_R_ConvertPtr(atoms, &argp2, SWIGTYPE_p_OpenBabel__tripleT_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t,  0 );
10888   if (!SWIG_IsOK(res2)) {
10889     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAngle_SetAtoms" "', argument " "2"" of type '" "OpenBabel::triple< OpenBabel::OBAtom *,OpenBabel::OBAtom *,OpenBabel::OBAtom * > &""'");  }
10890    if (!argp2) {
10891     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAngle_SetAtoms" "', argument " "2"" of type '" "OpenBabel::triple< OpenBabel::OBAtom *,OpenBabel::OBAtom *,OpenBabel::OBAtom * > &""'"); }
10892    arg2 = reinterpret_cast< OpenBabel::triple< OpenBabel::OBAtom *,OpenBabel::OBAtom *,OpenBabel::OBAtom * > * >(argp2);
10893   (arg1)->SetAtoms(*arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAngleData_Clear(SEXP self)10894 SWIGEXPORT SEXP R_swig_OBAngleData_Clear ( SEXP self) { OpenBabel::OBAngleData *arg1 = (OpenBabel::OBAngleData *) 0 ;
10895   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10896   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAngleData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10897     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAngleData_Clear" "', argument " "1"" of type '" "OpenBabel::OBAngleData *""'");  }
10898    arg1 = reinterpret_cast< OpenBabel::OBAngleData * >(argp1); (arg1)->Clear(); r_ans = R_NilValue; vmaxset(r_vmax);
10899   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAngleData_FillAngleArray__SWIG_0(SEXP self,SEXP angles,SEXP size,SEXP s_swig_copy)10900 SWIGEXPORT SEXP R_swig_OBAngleData_FillAngleArray__SWIG_0 ( SEXP self, SEXP angles, SEXP size, SEXP s_swig_copy) {
10901   unsigned int result; OpenBabel::OBAngleData *arg1 = (OpenBabel::OBAngleData *) 0 ; int **arg2 = (int **) 0 ;
10902   unsigned int *arg3 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ;
10903   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10904   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAngleData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10905     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAngleData_FillAngleArray" "', argument " "1"" of type '" "OpenBabel::OBAngleData *""'");  }
10906    arg1 = reinterpret_cast< OpenBabel::OBAngleData * >(argp1);
10907   res2 = SWIG_R_ConvertPtr(angles, &argp2, SWIGTYPE_p_p_int, 0 |  0 ); if (!SWIG_IsOK(res2)) {
10908     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAngleData_FillAngleArray" "', argument " "2"" of type '" "int **""'");  }
10909    arg2 = reinterpret_cast< int ** >(argp2); res3 = SWIG_R_ConvertPtr(size, &argp3, SWIGTYPE_p_unsigned_int,  0 );
10910   if (!SWIG_IsOK(res3)) {
10911     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBAngleData_FillAngleArray" "', argument " "3"" of type '" "unsigned int &""'");  }
10912    if (!argp3) {
10913     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAngleData_FillAngleArray" "', argument " "3"" of type '" "unsigned int &""'"); }
10914    arg3 = reinterpret_cast< unsigned int * >(argp3); result = (unsigned int)(arg1)->FillAngleArray(arg2,*arg3);
10915   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAngleData_FillAngleArray__SWIG_1(SEXP self,SEXP angles,SEXP s_swig_copy)10916 SWIGEXPORT SEXP R_swig_OBAngleData_FillAngleArray__SWIG_1 ( SEXP self, SEXP angles, SEXP s_swig_copy) { bool result;
10917   OpenBabel::OBAngleData *arg1 = (OpenBabel::OBAngleData *) 0 ;
10918   std::vector< std::vector< unsigned int,std::allocator< unsigned int > >,std::allocator< std::vector< unsigned int,std::allocator< unsigned int > > > > *arg2 = 0 ;
10919   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
10920   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAngleData, 0 |  0 );
10921   if (!SWIG_IsOK(res1)) {
10922     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAngleData_FillAngleArray" "', argument " "1"" of type '" "OpenBabel::OBAngleData *""'");  }
10923    arg1 = reinterpret_cast< OpenBabel::OBAngleData * >(argp1);
10924   res2 = SWIG_R_ConvertPtr(angles, &argp2, SWIGTYPE_p_std__vectorT_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t_std__allocatorT_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t_t_t,  0 );
10925   if (!SWIG_IsOK(res2)) {
10926     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAngleData_FillAngleArray" "', argument " "2"" of type '" "std::vector< std::vector< unsigned int,std::allocator< unsigned int > >,std::allocator< std::vector< unsigned int,std::allocator< unsigned int > > > > &""'");  }
10927    if (!argp2) {
10928     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAngleData_FillAngleArray" "', argument " "2"" of type '" "std::vector< std::vector< unsigned int,std::allocator< unsigned int > >,std::allocator< std::vector< unsigned int,std::allocator< unsigned int > > > > &""'"); }
10929 
10930   arg2 = reinterpret_cast< std::vector< std::vector< unsigned int,std::allocator< unsigned int > >,std::allocator< std::vector< unsigned int,std::allocator< unsigned int > > > > * >(argp2);
10931   result = (bool)(arg1)->FillAngleArray(*arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
10932   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAngleData_SetData(SEXP self,SEXP s_arg2)10933 SWIGEXPORT SEXP R_swig_OBAngleData_SetData ( SEXP self, SEXP s_arg2) {
10934   OpenBabel::OBAngleData *arg1 = (OpenBabel::OBAngleData *) 0 ; OpenBabel::OBAngle *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
10935   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10936   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAngleData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10937     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAngleData_SetData" "', argument " "1"" of type '" "OpenBabel::OBAngleData *""'");  }
10938    arg1 = reinterpret_cast< OpenBabel::OBAngleData * >(argp1);
10939   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAngle,  0 ); if (!SWIG_IsOK(res2)) {
10940     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAngleData_SetData" "', argument " "2"" of type '" "OpenBabel::OBAngle &""'");  }
10941    if (!argp2) {
10942     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAngleData_SetData" "', argument " "2"" of type '" "OpenBabel::OBAngle &""'"); }
10943    arg2 = reinterpret_cast< OpenBabel::OBAngle * >(argp2); (arg1)->SetData(*arg2); r_ans = R_NilValue; vmaxset(r_vmax);
10944   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAngleData_GetSize(SEXP self,SEXP s_swig_copy)10945 SWIGEXPORT SEXP R_swig_OBAngleData_GetSize ( SEXP self, SEXP s_swig_copy) { size_t result;
10946   OpenBabel::OBAngleData *arg1 = (OpenBabel::OBAngleData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
10947   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10948   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAngleData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10949     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAngleData_GetSize" "', argument " "1"" of type '" "OpenBabel::OBAngleData const *""'");  }
10950    arg1 = reinterpret_cast< OpenBabel::OBAngleData * >(argp1); result = ((OpenBabel::OBAngleData const *)arg1)->GetSize();
10951   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBAngleData(SEXP self)10952 SWIGEXPORT SEXP R_swig_delete_OBAngleData ( SEXP self) { OpenBabel::OBAngleData *arg1 = (OpenBabel::OBAngleData *) 0 ;
10953   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10954   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAngleData, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
10955     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBAngleData" "', argument " "1"" of type '" "OpenBabel::OBAngleData *""'");  }
10956    arg1 = reinterpret_cast< OpenBabel::OBAngleData * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
10957   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_new_OBChiralData__SWIG_0()10958 SWIGEXPORT SEXP R_swig_new_OBChiralData__SWIG_0 ( ) { OpenBabel::OBChiralData *result = 0 ; unsigned int r_nprotect = 0;
10959   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBChiralData *)new OpenBabel::OBChiralData();
10960   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBChiralData, R_SWIG_OWNER |  0 );
10961   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBChiralData__SWIG_1(SEXP src)10962 SWIGEXPORT SEXP R_swig_new_OBChiralData__SWIG_1 ( SEXP src) { OpenBabel::OBChiralData *result = 0 ;
10963   OpenBabel::OBChiralData *arg1 = 0 ; void *argp1 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
10964   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(src, &argp1, SWIGTYPE_p_OpenBabel__OBChiralData,  0 );
10965   if (!SWIG_IsOK(res1)) {
10966     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBChiralData" "', argument " "1"" of type '" "OpenBabel::OBChiralData const &""'");  }
10967    if (!argp1) {
10968     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBChiralData" "', argument " "1"" of type '" "OpenBabel::OBChiralData const &""'"); }
10969    arg1 = reinterpret_cast< OpenBabel::OBChiralData * >(argp1);
10970   result = (OpenBabel::OBChiralData *)new OpenBabel::OBChiralData((OpenBabel::OBChiralData const &)*arg1);
10971   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBChiralData, R_SWIG_OWNER |  0 );
10972   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBChiralData(SEXP self)10973 SWIGEXPORT SEXP R_swig_delete_OBChiralData ( SEXP self) { OpenBabel::OBChiralData *arg1 = (OpenBabel::OBChiralData *) 0 ;
10974   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10975   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBChiralData, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
10976     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBChiralData" "', argument " "1"" of type '" "OpenBabel::OBChiralData *""'");  }
10977    arg1 = reinterpret_cast< OpenBabel::OBChiralData * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
10978   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBChiralData_Clear(SEXP self)10979 SWIGEXPORT SEXP R_swig_OBChiralData_Clear ( SEXP self) { OpenBabel::OBChiralData *arg1 = (OpenBabel::OBChiralData *) 0 ;
10980   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10981   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBChiralData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10982     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBChiralData_Clear" "', argument " "1"" of type '" "OpenBabel::OBChiralData *""'");  }
10983    arg1 = reinterpret_cast< OpenBabel::OBChiralData * >(argp1); (arg1)->Clear(); r_ans = R_NilValue; vmaxset(r_vmax);
10984   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBChiralData_GetAtom4Refs(SEXP self,SEXP t,SEXP s_swig_copy)10985 SWIGEXPORT SEXP R_swig_OBChiralData_GetAtom4Refs ( SEXP self, SEXP t, SEXP s_swig_copy) {
10986   std::vector< unsigned int,std::allocator< unsigned int > > result;
10987   OpenBabel::OBChiralData *arg1 = (OpenBabel::OBChiralData *) 0 ; OpenBabel::atomreftype arg2 ; void *argp1 = 0 ; int res1 = 0 ;
10988   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
10989   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBChiralData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
10990     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBChiralData_GetAtom4Refs" "', argument " "1"" of type '" "OpenBabel::OBChiralData const *""'");  }
10991    arg1 = reinterpret_cast< OpenBabel::OBChiralData * >(argp1); ecode2 = SWIG_AsVal_int(t, &val2); if (!SWIG_IsOK(ecode2)) {
10992     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBChiralData_GetAtom4Refs" "', argument " "2"" of type '" "OpenBabel::atomreftype""'"); }
10993     arg2 = static_cast< OpenBabel::atomreftype >(val2); result = ((OpenBabel::OBChiralData const *)arg1)->GetAtom4Refs(arg2);
10994   r_ans = swig::from(static_cast< std::vector<unsigned int,std::allocator< unsigned int > > >(result)); vmaxset(r_vmax);
10995   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBChiralData_GetAtomRef(SEXP self,SEXP a,SEXP t,SEXP s_swig_copy)10996 SWIGEXPORT SEXP R_swig_OBChiralData_GetAtomRef ( SEXP self, SEXP a, SEXP t, SEXP s_swig_copy) { unsigned int result;
10997   OpenBabel::OBChiralData *arg1 = (OpenBabel::OBChiralData *) 0 ; int arg2 ; OpenBabel::atomreftype arg3 ; void *argp1 = 0 ;
10998   int res1 = 0 ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
10999   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBChiralData, 0 |  0 );
11000   if (!SWIG_IsOK(res1)) {
11001     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBChiralData_GetAtomRef" "', argument " "1"" of type '" "OpenBabel::OBChiralData *""'");  }
11002    arg1 = reinterpret_cast< OpenBabel::OBChiralData * >(argp1); arg2 = static_cast< int >(INTEGER(a)[0]);
11003   ecode3 = SWIG_AsVal_int(t, &val3); if (!SWIG_IsOK(ecode3)) {
11004     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "OBChiralData_GetAtomRef" "', argument " "3"" of type '" "OpenBabel::atomreftype""'"); }
11005     arg3 = static_cast< OpenBabel::atomreftype >(val3); result = (unsigned int)(arg1)->GetAtomRef(arg2,arg3);
11006   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBChiralData_SetAtom4Refs(SEXP self,SEXP atom4refs,SEXP t,SEXP s_swig_copy)11007 SWIGEXPORT SEXP R_swig_OBChiralData_SetAtom4Refs ( SEXP self, SEXP atom4refs, SEXP t, SEXP s_swig_copy) { bool result;
11008   OpenBabel::OBChiralData *arg1 = (OpenBabel::OBChiralData *) 0 ;
11009   std::vector< unsigned int,std::allocator< unsigned int > > arg2 ; OpenBabel::atomreftype arg3 ; void *argp1 = 0 ;
11010   int res1 = 0 ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
11011   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBChiralData, 0 |  0 );
11012   if (!SWIG_IsOK(res1)) {
11013     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBChiralData_SetAtom4Refs" "', argument " "1"" of type '" "OpenBabel::OBChiralData *""'");  }
11014    arg1 = reinterpret_cast< OpenBabel::OBChiralData * >(argp1); {
11015     std::vector<unsigned int,std::allocator< unsigned int > > *ptr = (std::vector<unsigned int,std::allocator< unsigned int > > *)0;
11016     int res = swig::asptr(atom4refs, &ptr); if (!SWIG_IsOK(res) || !ptr) {
11017       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBChiralData_SetAtom4Refs" "', argument " "2"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > >""'");  }
11018      arg2 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  ecode3 = SWIG_AsVal_int(t, &val3); if (!SWIG_IsOK(ecode3)) {
11019     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "OBChiralData_SetAtom4Refs" "', argument " "3"" of type '" "OpenBabel::atomreftype""'"); }
11020     arg3 = static_cast< OpenBabel::atomreftype >(val3); result = (bool)(arg1)->SetAtom4Refs(arg2,arg3);
11021   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBChiralData_AddAtomRef(SEXP self,SEXP atomref,SEXP t,SEXP s_swig_copy)11022 SWIGEXPORT SEXP R_swig_OBChiralData_AddAtomRef ( SEXP self, SEXP atomref, SEXP t, SEXP s_swig_copy) { int result;
11023   OpenBabel::OBChiralData *arg1 = (OpenBabel::OBChiralData *) 0 ; unsigned int arg2 ; OpenBabel::atomreftype arg3 ;
11024   void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0;
11025   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11026   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBChiralData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11027     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBChiralData_AddAtomRef" "', argument " "1"" of type '" "OpenBabel::OBChiralData *""'");  }
11028    arg1 = reinterpret_cast< OpenBabel::OBChiralData * >(argp1); ecode2 = SWIG_AsVal_int(atomref, &val2);
11029   if (!SWIG_IsOK(ecode2)) {
11030     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBChiralData_AddAtomRef" "', argument " "2"" of type '" "unsigned int""'"); }
11031     arg2 = static_cast< unsigned int >(val2); ecode3 = SWIG_AsVal_int(t, &val3); if (!SWIG_IsOK(ecode3)) {
11032     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "OBChiralData_AddAtomRef" "', argument " "3"" of type '" "OpenBabel::atomreftype""'"); }
11033     arg3 = static_cast< OpenBabel::atomreftype >(val3); result = (int)(arg1)->AddAtomRef(arg2,arg3);
11034   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBChiralData_GetSize(SEXP self,SEXP t,SEXP s_swig_copy)11035 SWIGEXPORT SEXP R_swig_OBChiralData_GetSize ( SEXP self, SEXP t, SEXP s_swig_copy) { unsigned int result;
11036   OpenBabel::OBChiralData *arg1 = (OpenBabel::OBChiralData *) 0 ; OpenBabel::atomreftype arg2 ; void *argp1 = 0 ; int res1 = 0 ;
11037   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11038   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBChiralData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11039     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBChiralData_GetSize" "', argument " "1"" of type '" "OpenBabel::OBChiralData const *""'");  }
11040    arg1 = reinterpret_cast< OpenBabel::OBChiralData * >(argp1); ecode2 = SWIG_AsVal_int(t, &val2); if (!SWIG_IsOK(ecode2)) {
11041     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBChiralData_GetSize" "', argument " "2"" of type '" "OpenBabel::atomreftype""'"); }
11042     arg2 = static_cast< OpenBabel::atomreftype >(val2);
11043   result = (unsigned int)((OpenBabel::OBChiralData const *)arg1)->GetSize(arg2);
11044   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBSerialNums__SWIG_0()11045 SWIGEXPORT SEXP R_swig_new_OBSerialNums__SWIG_0 ( ) { OpenBabel::OBSerialNums *result = 0 ; unsigned int r_nprotect = 0;
11046   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBSerialNums *)new OpenBabel::OBSerialNums();
11047   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBSerialNums, R_SWIG_OWNER |  0 );
11048   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBSerialNums__SWIG_1(SEXP cp)11049 SWIGEXPORT SEXP R_swig_new_OBSerialNums__SWIG_1 ( SEXP cp) { OpenBabel::OBSerialNums *result = 0 ;
11050   OpenBabel::OBSerialNums *arg1 = 0 ; void *argp1 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
11051   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(cp, &argp1, SWIGTYPE_p_OpenBabel__OBSerialNums,  0 );
11052   if (!SWIG_IsOK(res1)) {
11053     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBSerialNums" "', argument " "1"" of type '" "OpenBabel::OBSerialNums const &""'");  }
11054    if (!argp1) {
11055     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBSerialNums" "', argument " "1"" of type '" "OpenBabel::OBSerialNums const &""'"); }
11056    arg1 = reinterpret_cast< OpenBabel::OBSerialNums * >(argp1);
11057   result = (OpenBabel::OBSerialNums *)new OpenBabel::OBSerialNums((OpenBabel::OBSerialNums const &)*arg1);
11058   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBSerialNums, R_SWIG_OWNER |  0 );
11059   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSerialNums_GetData(SEXP self,SEXP s_swig_copy)11060 SWIGEXPORT SEXP R_swig_OBSerialNums_GetData ( SEXP self, SEXP s_swig_copy) {
11061   std::map< int,OpenBabel::OBAtom *,std::less< int >,std::allocator< std::pair< int const,OpenBabel::OBAtom * > > > *result = 0 ;
11062   OpenBabel::OBSerialNums *arg1 = (OpenBabel::OBSerialNums *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
11063   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11064   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSerialNums, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11065     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSerialNums_GetData" "', argument " "1"" of type '" "OpenBabel::OBSerialNums *""'");  }
11066    arg1 = reinterpret_cast< OpenBabel::OBSerialNums * >(argp1);
11067   result = (std::map< int,OpenBabel::OBAtom *,std::less< int >,std::allocator< std::pair< int const,OpenBabel::OBAtom * > > > *) &(arg1)->GetData();
11068   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__mapT_int_OpenBabel__OBAtom_p_std__lessT_int_t_std__allocatorT_std__pairT_int_const_OpenBabel__OBAtom_p_t_t_t, R_SWIG_EXTERNAL |  0 );
11069   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSerialNums_SetData(SEXP self,SEXP sm)11070 SWIGEXPORT SEXP R_swig_OBSerialNums_SetData ( SEXP self, SEXP sm) {
11071   OpenBabel::OBSerialNums *arg1 = (OpenBabel::OBSerialNums *) 0 ;
11072   std::map< int,OpenBabel::OBAtom *,std::less< int >,std::allocator< std::pair< int const,OpenBabel::OBAtom * > > > *arg2 = 0 ;
11073   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
11074   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSerialNums, 0 |  0 );
11075   if (!SWIG_IsOK(res1)) {
11076     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSerialNums_SetData" "', argument " "1"" of type '" "OpenBabel::OBSerialNums *""'");  }
11077    arg1 = reinterpret_cast< OpenBabel::OBSerialNums * >(argp1);
11078   res2 = SWIG_R_ConvertPtr(sm, &argp2, SWIGTYPE_p_std__mapT_int_OpenBabel__OBAtom_p_std__lessT_int_t_std__allocatorT_std__pairT_int_const_OpenBabel__OBAtom_p_t_t_t,  0 );
11079   if (!SWIG_IsOK(res2)) {
11080     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBSerialNums_SetData" "', argument " "2"" of type '" "std::map< int,OpenBabel::OBAtom *,std::less< int >,std::allocator< std::pair< int const,OpenBabel::OBAtom * > > > &""'");  }
11081    if (!argp2) {
11082     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBSerialNums_SetData" "', argument " "2"" of type '" "std::map< int,OpenBabel::OBAtom *,std::less< int >,std::allocator< std::pair< int const,OpenBabel::OBAtom * > > > &""'"); }
11083 
11084   arg2 = reinterpret_cast< std::map< int,OpenBabel::OBAtom *,std::less< int >,std::allocator< std::pair< int const,OpenBabel::OBAtom * > > > * >(argp2);
11085   (arg1)->SetData(*arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBSerialNums(SEXP self)11086 SWIGEXPORT SEXP R_swig_delete_OBSerialNums ( SEXP self) { OpenBabel::OBSerialNums *arg1 = (OpenBabel::OBSerialNums *) 0 ;
11087   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11088   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSerialNums, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
11089     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBSerialNums" "', argument " "1"" of type '" "OpenBabel::OBSerialNums *""'");  }
11090    arg1 = reinterpret_cast< OpenBabel::OBSerialNums * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
11091   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_new_OBVibrationData()11092 SWIGEXPORT SEXP R_swig_new_OBVibrationData ( ) { OpenBabel::OBVibrationData *result = 0 ; unsigned int r_nprotect = 0;
11093   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11094   result = (OpenBabel::OBVibrationData *)new OpenBabel::OBVibrationData();
11095   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBVibrationData, R_SWIG_OWNER |  0 );
11096   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBVibrationData(SEXP self)11097 SWIGEXPORT SEXP R_swig_delete_OBVibrationData ( SEXP self) {
11098   OpenBabel::OBVibrationData *arg1 = (OpenBabel::OBVibrationData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
11099   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11100   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBVibrationData, SWIG_POINTER_DISOWN |  0 );
11101   if (!SWIG_IsOK(res1)) {
11102     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBVibrationData" "', argument " "1"" of type '" "OpenBabel::OBVibrationData *""'");  }
11103    arg1 = reinterpret_cast< OpenBabel::OBVibrationData * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
11104   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBVibrationData_SetData__SWIG_0(SEXP self,SEXP lx,SEXP frequencies,SEXP intensities)11105 SWIGEXPORT SEXP R_swig_OBVibrationData_SetData__SWIG_0 ( SEXP self, SEXP lx, SEXP frequencies, SEXP intensities) {
11106   OpenBabel::OBVibrationData *arg1 = (OpenBabel::OBVibrationData *) 0 ;
11107   std::vector< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > > *arg2 = 0 ;
11108   std::vector< double,std::allocator< double > > *arg3 = 0 ; std::vector< double,std::allocator< double > > *arg4 = 0 ;
11109   void *argp1 = 0 ; int res1 = 0 ; int res2 = SWIG_OLDOBJ ; int res3 = SWIG_OLDOBJ ; int res4 = SWIG_OLDOBJ ;
11110   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11111   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBVibrationData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11112     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBVibrationData_SetData" "', argument " "1"" of type '" "OpenBabel::OBVibrationData *""'");  }
11113    arg1 = reinterpret_cast< OpenBabel::OBVibrationData * >(argp1); {
11114     std::vector<std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > > *ptr = (std::vector<std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > > *)0;
11115     res2 = swig::asptr(lx, &ptr); if (!SWIG_IsOK(res2)) {
11116       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBVibrationData_SetData" "', argument " "2"" of type '" "std::vector< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > > const &""'"); }
11117      if (!ptr) {
11118       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBVibrationData_SetData" "', argument " "2"" of type '" "std::vector< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > > const &""'"); }
11119      arg2 = ptr; }  { std::vector<double,std::allocator< double > > *ptr = (std::vector<double,std::allocator< double > > *)0;
11120     res3 = swig::asptr(frequencies, &ptr); if (!SWIG_IsOK(res3)) {
11121       SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBVibrationData_SetData" "', argument " "3"" of type '" "std::vector< double,std::allocator< double > > const &""'"); }
11122      if (!ptr) {
11123       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBVibrationData_SetData" "', argument " "3"" of type '" "std::vector< double,std::allocator< double > > const &""'"); }
11124      arg3 = ptr; }  { std::vector<double,std::allocator< double > > *ptr = (std::vector<double,std::allocator< double > > *)0;
11125     res4 = swig::asptr(intensities, &ptr); if (!SWIG_IsOK(res4)) {
11126       SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "OBVibrationData_SetData" "', argument " "4"" of type '" "std::vector< double,std::allocator< double > > const &""'"); }
11127      if (!ptr) {
11128       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBVibrationData_SetData" "', argument " "4"" of type '" "std::vector< double,std::allocator< double > > const &""'"); }
11129      arg4 = ptr; }
11130   (arg1)->SetData((std::vector< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > > const &)*arg2,(std::vector< double,std::allocator< double > > const &)*arg3,(std::vector< double,std::allocator< double > > const &)*arg4);
11131   r_ans = R_NilValue; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
11132   if (SWIG_IsNewObj(res4)) delete arg4; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBVibrationData_SetData__SWIG_1(SEXP self,SEXP s_arg2,SEXP s_arg3,SEXP s_arg4,SEXP s_arg5)11133 SWIGEXPORT SEXP R_swig_OBVibrationData_SetData__SWIG_1 ( SEXP self, SEXP s_arg2, SEXP s_arg3, SEXP s_arg4, SEXP s_arg5) {
11134   OpenBabel::OBVibrationData *arg1 = (OpenBabel::OBVibrationData *) 0 ;
11135   std::vector< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > > *arg2 = 0 ;
11136   std::vector< double,std::allocator< double > > *arg3 = 0 ; std::vector< double,std::allocator< double > > *arg4 = 0 ;
11137   std::vector< double,std::allocator< double > > *arg5 = 0 ; void *argp1 = 0 ; int res1 = 0 ; int res2 = SWIG_OLDOBJ ;
11138   int res3 = SWIG_OLDOBJ ; int res4 = SWIG_OLDOBJ ; int res5 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0;
11139   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11140   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBVibrationData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11141     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBVibrationData_SetData" "', argument " "1"" of type '" "OpenBabel::OBVibrationData *""'");  }
11142    arg1 = reinterpret_cast< OpenBabel::OBVibrationData * >(argp1); {
11143     std::vector<std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > > *ptr = (std::vector<std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > > *)0;
11144     res2 = swig::asptr(s_arg2, &ptr); if (!SWIG_IsOK(res2)) {
11145       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBVibrationData_SetData" "', argument " "2"" of type '" "std::vector< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > > const &""'"); }
11146      if (!ptr) {
11147       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBVibrationData_SetData" "', argument " "2"" of type '" "std::vector< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > > const &""'"); }
11148      arg2 = ptr; }  { std::vector<double,std::allocator< double > > *ptr = (std::vector<double,std::allocator< double > > *)0;
11149     res3 = swig::asptr(s_arg3, &ptr); if (!SWIG_IsOK(res3)) {
11150       SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBVibrationData_SetData" "', argument " "3"" of type '" "std::vector< double,std::allocator< double > > const &""'"); }
11151      if (!ptr) {
11152       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBVibrationData_SetData" "', argument " "3"" of type '" "std::vector< double,std::allocator< double > > const &""'"); }
11153      arg3 = ptr; }  { std::vector<double,std::allocator< double > > *ptr = (std::vector<double,std::allocator< double > > *)0;
11154     res4 = swig::asptr(s_arg4, &ptr); if (!SWIG_IsOK(res4)) {
11155       SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "OBVibrationData_SetData" "', argument " "4"" of type '" "std::vector< double,std::allocator< double > > const &""'"); }
11156      if (!ptr) {
11157       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBVibrationData_SetData" "', argument " "4"" of type '" "std::vector< double,std::allocator< double > > const &""'"); }
11158      arg4 = ptr; }  { std::vector<double,std::allocator< double > > *ptr = (std::vector<double,std::allocator< double > > *)0;
11159     res5 = swig::asptr(s_arg5, &ptr); if (!SWIG_IsOK(res5)) {
11160       SWIG_exception_fail(SWIG_ArgError(res5), "in method '" "OBVibrationData_SetData" "', argument " "5"" of type '" "std::vector< double,std::allocator< double > > const &""'"); }
11161      if (!ptr) {
11162       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBVibrationData_SetData" "', argument " "5"" of type '" "std::vector< double,std::allocator< double > > const &""'"); }
11163      arg5 = ptr; }
11164   (arg1)->SetData((std::vector< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > > const &)*arg2,(std::vector< double,std::allocator< double > > const &)*arg3,(std::vector< double,std::allocator< double > > const &)*arg4,(std::vector< double,std::allocator< double > > const &)*arg5);
11165   r_ans = R_NilValue; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
11166   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; vmaxset(r_vmax);
11167   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBVibrationData_GetLx(SEXP self,SEXP s_swig_copy)11168 SWIGEXPORT SEXP R_swig_OBVibrationData_GetLx ( SEXP self, SEXP s_swig_copy) {
11169   std::vector< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > > result;
11170   OpenBabel::OBVibrationData *arg1 = (OpenBabel::OBVibrationData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
11171   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11172   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBVibrationData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11173     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBVibrationData_GetLx" "', argument " "1"" of type '" "OpenBabel::OBVibrationData const *""'");  }
11174    arg1 = reinterpret_cast< OpenBabel::OBVibrationData * >(argp1); result = ((OpenBabel::OBVibrationData const *)arg1)->GetLx();
11175   r_ans = swig::from(static_cast< std::vector<std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > > >(result));
11176   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBVibrationData_GetFrequencies(SEXP self,SEXP s_swig_copy)11177 SWIGEXPORT SEXP R_swig_OBVibrationData_GetFrequencies ( SEXP self, SEXP s_swig_copy) {
11178   std::vector< double,std::allocator< double > > result; OpenBabel::OBVibrationData *arg1 = (OpenBabel::OBVibrationData *) 0 ;
11179   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11180   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBVibrationData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11181     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBVibrationData_GetFrequencies" "', argument " "1"" of type '" "OpenBabel::OBVibrationData const *""'");  }
11182    arg1 = reinterpret_cast< OpenBabel::OBVibrationData * >(argp1);
11183   result = ((OpenBabel::OBVibrationData const *)arg1)->GetFrequencies();
11184   r_ans = swig::from(static_cast< std::vector<double,std::allocator< double > > >(result)); vmaxset(r_vmax);
11185   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBVibrationData_GetIntensities(SEXP self,SEXP s_swig_copy)11186 SWIGEXPORT SEXP R_swig_OBVibrationData_GetIntensities ( SEXP self, SEXP s_swig_copy) {
11187   std::vector< double,std::allocator< double > > result; OpenBabel::OBVibrationData *arg1 = (OpenBabel::OBVibrationData *) 0 ;
11188   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11189   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBVibrationData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11190     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBVibrationData_GetIntensities" "', argument " "1"" of type '" "OpenBabel::OBVibrationData const *""'");  }
11191    arg1 = reinterpret_cast< OpenBabel::OBVibrationData * >(argp1);
11192   result = ((OpenBabel::OBVibrationData const *)arg1)->GetIntensities();
11193   r_ans = swig::from(static_cast< std::vector<double,std::allocator< double > > >(result)); vmaxset(r_vmax);
11194   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBVibrationData_GetRamanActivities(SEXP self,SEXP s_swig_copy)11195 SWIGEXPORT SEXP R_swig_OBVibrationData_GetRamanActivities ( SEXP self, SEXP s_swig_copy) {
11196   std::vector< double,std::allocator< double > > result; OpenBabel::OBVibrationData *arg1 = (OpenBabel::OBVibrationData *) 0 ;
11197   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11198   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBVibrationData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11199     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBVibrationData_GetRamanActivities" "', argument " "1"" of type '" "OpenBabel::OBVibrationData const *""'");  }
11200    arg1 = reinterpret_cast< OpenBabel::OBVibrationData * >(argp1);
11201   result = ((OpenBabel::OBVibrationData const *)arg1)->GetRamanActivities();
11202   r_ans = swig::from(static_cast< std::vector<double,std::allocator< double > > >(result)); vmaxset(r_vmax);
11203   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBVibrationData_GetNumberOfFrequencies(SEXP self,SEXP s_swig_copy)11204 SWIGEXPORT SEXP R_swig_OBVibrationData_GetNumberOfFrequencies ( SEXP self, SEXP s_swig_copy) { unsigned int result;
11205   OpenBabel::OBVibrationData *arg1 = (OpenBabel::OBVibrationData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
11206   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11207   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBVibrationData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11208     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBVibrationData_GetNumberOfFrequencies" "', argument " "1"" of type '" "OpenBabel::OBVibrationData const *""'");  }
11209    arg1 = reinterpret_cast< OpenBabel::OBVibrationData * >(argp1);
11210   result = (unsigned int)((OpenBabel::OBVibrationData const *)arg1)->GetNumberOfFrequencies();
11211   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBDOSData()11212 SWIGEXPORT SEXP R_swig_new_OBDOSData ( ) { OpenBabel::OBDOSData *result = 0 ; unsigned int r_nprotect = 0;
11213   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBDOSData *)new OpenBabel::OBDOSData();
11214   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBDOSData, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
11215   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBDOSData(SEXP self)11216 SWIGEXPORT SEXP R_swig_delete_OBDOSData ( SEXP self) { OpenBabel::OBDOSData *arg1 = (OpenBabel::OBDOSData *) 0 ;
11217   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11218   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBDOSData, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
11219     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBDOSData" "', argument " "1"" of type '" "OpenBabel::OBDOSData *""'");  }
11220    arg1 = reinterpret_cast< OpenBabel::OBDOSData * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
11221   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBDOSData_SetData(SEXP self,SEXP s_arg2,SEXP s_arg3,SEXP s_arg4,SEXP s_arg5)11222 SWIGEXPORT SEXP R_swig_OBDOSData_SetData ( SEXP self, SEXP s_arg2, SEXP s_arg3, SEXP s_arg4, SEXP s_arg5) {
11223   OpenBabel::OBDOSData *arg1 = (OpenBabel::OBDOSData *) 0 ; double arg2 ;
11224   std::vector< double,std::allocator< double > > *arg3 = 0 ; std::vector< double,std::allocator< double > > *arg4 = 0 ;
11225   std::vector< double,std::allocator< double > > *arg5 = 0 ; void *argp1 = 0 ; int res1 = 0 ; int res3 = SWIG_OLDOBJ ;
11226   int res4 = SWIG_OLDOBJ ; int res5 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
11227   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBDOSData, 0 |  0 );
11228   if (!SWIG_IsOK(res1)) {
11229     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBDOSData_SetData" "', argument " "1"" of type '" "OpenBabel::OBDOSData *""'");  }
11230    arg1 = reinterpret_cast< OpenBabel::OBDOSData * >(argp1); arg2 = static_cast< double >(REAL(s_arg2)[0]); {
11231     std::vector<double,std::allocator< double > > *ptr = (std::vector<double,std::allocator< double > > *)0;
11232     res3 = swig::asptr(s_arg3, &ptr); if (!SWIG_IsOK(res3)) {
11233       SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBDOSData_SetData" "', argument " "3"" of type '" "std::vector< double,std::allocator< double > > const &""'"); }
11234      if (!ptr) {
11235       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBDOSData_SetData" "', argument " "3"" of type '" "std::vector< double,std::allocator< double > > const &""'"); }
11236      arg3 = ptr; }  { std::vector<double,std::allocator< double > > *ptr = (std::vector<double,std::allocator< double > > *)0;
11237     res4 = swig::asptr(s_arg4, &ptr); if (!SWIG_IsOK(res4)) {
11238       SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "OBDOSData_SetData" "', argument " "4"" of type '" "std::vector< double,std::allocator< double > > const &""'"); }
11239      if (!ptr) {
11240       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBDOSData_SetData" "', argument " "4"" of type '" "std::vector< double,std::allocator< double > > const &""'"); }
11241      arg4 = ptr; }  { std::vector<double,std::allocator< double > > *ptr = (std::vector<double,std::allocator< double > > *)0;
11242     res5 = swig::asptr(s_arg5, &ptr); if (!SWIG_IsOK(res5)) {
11243       SWIG_exception_fail(SWIG_ArgError(res5), "in method '" "OBDOSData_SetData" "', argument " "5"" of type '" "std::vector< double,std::allocator< double > > const &""'"); }
11244      if (!ptr) {
11245       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBDOSData_SetData" "', argument " "5"" of type '" "std::vector< double,std::allocator< double > > const &""'"); }
11246      arg5 = ptr; }
11247   (arg1)->SetData(arg2,(std::vector< double,std::allocator< double > > const &)*arg3,(std::vector< double,std::allocator< double > > const &)*arg4,(std::vector< double,std::allocator< double > > const &)*arg5);
11248   r_ans = R_NilValue; if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4;
11249   if (SWIG_IsNewObj(res5)) delete arg5; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBDOSData_GetFermiEnergy(SEXP self,SEXP s_swig_copy)11250 SWIGEXPORT SEXP R_swig_OBDOSData_GetFermiEnergy ( SEXP self, SEXP s_swig_copy) { double result;
11251   OpenBabel::OBDOSData *arg1 = (OpenBabel::OBDOSData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
11252   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11253   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBDOSData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11254     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBDOSData_GetFermiEnergy" "', argument " "1"" of type '" "OpenBabel::OBDOSData const *""'");  }
11255    arg1 = reinterpret_cast< OpenBabel::OBDOSData * >(argp1);
11256   result = (double)((OpenBabel::OBDOSData const *)arg1)->GetFermiEnergy();
11257   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
11258   return r_ans; }
R_swig_OBDOSData_GetEnergies(SEXP self,SEXP s_swig_copy)11259 SWIGEXPORT SEXP R_swig_OBDOSData_GetEnergies ( SEXP self, SEXP s_swig_copy) {
11260   std::vector< double,std::allocator< double > > result; OpenBabel::OBDOSData *arg1 = (OpenBabel::OBDOSData *) 0 ;
11261   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11262   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBDOSData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11263     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBDOSData_GetEnergies" "', argument " "1"" of type '" "OpenBabel::OBDOSData const *""'");  }
11264    arg1 = reinterpret_cast< OpenBabel::OBDOSData * >(argp1); result = ((OpenBabel::OBDOSData const *)arg1)->GetEnergies();
11265   r_ans = swig::from(static_cast< std::vector<double,std::allocator< double > > >(result)); vmaxset(r_vmax);
11266   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBDOSData_GetDensities(SEXP self,SEXP s_swig_copy)11267 SWIGEXPORT SEXP R_swig_OBDOSData_GetDensities ( SEXP self, SEXP s_swig_copy) {
11268   std::vector< double,std::allocator< double > > result; OpenBabel::OBDOSData *arg1 = (OpenBabel::OBDOSData *) 0 ;
11269   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11270   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBDOSData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11271     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBDOSData_GetDensities" "', argument " "1"" of type '" "OpenBabel::OBDOSData const *""'");  }
11272    arg1 = reinterpret_cast< OpenBabel::OBDOSData * >(argp1); result = ((OpenBabel::OBDOSData const *)arg1)->GetDensities();
11273   r_ans = swig::from(static_cast< std::vector<double,std::allocator< double > > >(result)); vmaxset(r_vmax);
11274   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBDOSData_GetIntegration(SEXP self,SEXP s_swig_copy)11275 SWIGEXPORT SEXP R_swig_OBDOSData_GetIntegration ( SEXP self, SEXP s_swig_copy) {
11276   std::vector< double,std::allocator< double > > result; OpenBabel::OBDOSData *arg1 = (OpenBabel::OBDOSData *) 0 ;
11277   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11278   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBDOSData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11279     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBDOSData_GetIntegration" "', argument " "1"" of type '" "OpenBabel::OBDOSData const *""'");  }
11280    arg1 = reinterpret_cast< OpenBabel::OBDOSData * >(argp1); result = ((OpenBabel::OBDOSData const *)arg1)->GetIntegration();
11281   r_ans = swig::from(static_cast< std::vector<double,std::allocator< double > > >(result)); vmaxset(r_vmax);
11282   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBOrbital_SetData__SWIG_0(SEXP self,SEXP energy,SEXP occupation,SEXP symbol)11283 SWIGEXPORT SEXP R_swig_OBOrbital_SetData__SWIG_0 ( SEXP self, SEXP energy, SEXP occupation, SEXP symbol) {
11284   OpenBabel::OBOrbital *arg1 = (OpenBabel::OBOrbital *) 0 ; double arg2 ; double arg3 ; std::string arg4 ; void *argp1 = 0 ;
11285   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11286   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBOrbital, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11287     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBOrbital_SetData" "', argument " "1"" of type '" "OpenBabel::OBOrbital *""'");  }
11288    arg1 = reinterpret_cast< OpenBabel::OBOrbital * >(argp1); arg2 = static_cast< double >(REAL(energy)[0]);
11289   arg3 = static_cast< double >(REAL(occupation)[0]); { std::string *ptr = (std::string *)0;
11290     int res = SWIG_AsPtr_std_string(symbol, &ptr); if (!SWIG_IsOK(res) || !ptr) {
11291       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBOrbital_SetData" "', argument " "4"" of type '" "std::string""'");  }
11292      arg4 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  (arg1)->SetData(arg2,arg3,arg4); r_ans = R_NilValue; vmaxset(r_vmax);
11293   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBOrbital_SetData__SWIG_1(SEXP self,SEXP energy,SEXP occupation)11294 SWIGEXPORT SEXP R_swig_OBOrbital_SetData__SWIG_1 ( SEXP self, SEXP energy, SEXP occupation) {
11295   OpenBabel::OBOrbital *arg1 = (OpenBabel::OBOrbital *) 0 ; double arg2 ; double arg3 ; void *argp1 = 0 ; int res1 = 0 ;
11296   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11297   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBOrbital, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11298     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBOrbital_SetData" "', argument " "1"" of type '" "OpenBabel::OBOrbital *""'");  }
11299    arg1 = reinterpret_cast< OpenBabel::OBOrbital * >(argp1); arg2 = static_cast< double >(REAL(energy)[0]);
11300   arg3 = static_cast< double >(REAL(occupation)[0]); (arg1)->SetData(arg2,arg3); r_ans = R_NilValue; vmaxset(r_vmax);
11301   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBOrbital_SetData__SWIG_2(SEXP self,SEXP energy)11302 SWIGEXPORT SEXP R_swig_OBOrbital_SetData__SWIG_2 ( SEXP self, SEXP energy) {
11303   OpenBabel::OBOrbital *arg1 = (OpenBabel::OBOrbital *) 0 ; double arg2 ; void *argp1 = 0 ; int res1 = 0 ;
11304   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11305   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBOrbital, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11306     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBOrbital_SetData" "', argument " "1"" of type '" "OpenBabel::OBOrbital *""'");  }
11307    arg1 = reinterpret_cast< OpenBabel::OBOrbital * >(argp1); arg2 = static_cast< double >(REAL(energy)[0]);
11308   (arg1)->SetData(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBOrbital_GetEnergy(SEXP self,SEXP s_swig_copy)11309 SWIGEXPORT SEXP R_swig_OBOrbital_GetEnergy ( SEXP self, SEXP s_swig_copy) { double result;
11310   OpenBabel::OBOrbital *arg1 = (OpenBabel::OBOrbital *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
11311   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11312   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBOrbital, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11313     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBOrbital_GetEnergy" "', argument " "1"" of type '" "OpenBabel::OBOrbital const *""'");  }
11314    arg1 = reinterpret_cast< OpenBabel::OBOrbital * >(argp1); result = (double)((OpenBabel::OBOrbital const *)arg1)->GetEnergy();
11315   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
11316   return r_ans; }
R_swig_OBOrbital_GetOccupation(SEXP self,SEXP s_swig_copy)11317 SWIGEXPORT SEXP R_swig_OBOrbital_GetOccupation ( SEXP self, SEXP s_swig_copy) { double result;
11318   OpenBabel::OBOrbital *arg1 = (OpenBabel::OBOrbital *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
11319   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11320   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBOrbital, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11321     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBOrbital_GetOccupation" "', argument " "1"" of type '" "OpenBabel::OBOrbital const *""'");  }
11322    arg1 = reinterpret_cast< OpenBabel::OBOrbital * >(argp1);
11323   result = (double)((OpenBabel::OBOrbital const *)arg1)->GetOccupation();
11324   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
11325   return r_ans; }
R_swig_OBOrbital_GetSymbol(SEXP self,SEXP s_swig_copy)11326 SWIGEXPORT SEXP R_swig_OBOrbital_GetSymbol ( SEXP self, SEXP s_swig_copy) { std::string result;
11327   OpenBabel::OBOrbital *arg1 = (OpenBabel::OBOrbital *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
11328   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11329   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBOrbital, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11330     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBOrbital_GetSymbol" "', argument " "1"" of type '" "OpenBabel::OBOrbital const *""'");  }
11331    arg1 = reinterpret_cast< OpenBabel::OBOrbital * >(argp1); result = ((OpenBabel::OBOrbital const *)arg1)->GetSymbol();
11332   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
11333   return r_ans; }
R_swig_new_OBOrbital()11334 SWIGEXPORT SEXP R_swig_new_OBOrbital ( ) { OpenBabel::OBOrbital *result = 0 ; unsigned int r_nprotect = 0;
11335   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBOrbital *)new OpenBabel::OBOrbital();
11336   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBOrbital, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
11337   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBOrbital(SEXP self)11338 SWIGEXPORT SEXP R_swig_delete_OBOrbital ( SEXP self) { OpenBabel::OBOrbital *arg1 = (OpenBabel::OBOrbital *) 0 ;
11339   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11340   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBOrbital, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
11341     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBOrbital" "', argument " "1"" of type '" "OpenBabel::OBOrbital *""'");  }
11342    arg1 = reinterpret_cast< OpenBabel::OBOrbital * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
11343   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_new_OBOrbitalData()11344 SWIGEXPORT SEXP R_swig_new_OBOrbitalData ( ) { OpenBabel::OBOrbitalData *result = 0 ; unsigned int r_nprotect = 0;
11345   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBOrbitalData *)new OpenBabel::OBOrbitalData();
11346   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBOrbitalData, R_SWIG_OWNER |  0 );
11347   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBOrbitalData(SEXP self)11348 SWIGEXPORT SEXP R_swig_delete_OBOrbitalData ( SEXP self) { OpenBabel::OBOrbitalData *arg1 = (OpenBabel::OBOrbitalData *) 0 ;
11349   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11350   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBOrbitalData, SWIG_POINTER_DISOWN |  0 );
11351   if (!SWIG_IsOK(res1)) {
11352     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBOrbitalData" "', argument " "1"" of type '" "OpenBabel::OBOrbitalData *""'");  }
11353    arg1 = reinterpret_cast< OpenBabel::OBOrbitalData * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
11354   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBOrbitalData_SetAlphaOrbitals(SEXP self,SEXP orbitalList)11355 SWIGEXPORT SEXP R_swig_OBOrbitalData_SetAlphaOrbitals ( SEXP self, SEXP orbitalList) {
11356   OpenBabel::OBOrbitalData *arg1 = (OpenBabel::OBOrbitalData *) 0 ;
11357   SwigValueWrapper< std::vector< OpenBabel::OBOrbital,std::allocator< OpenBabel::OBOrbital > > > arg2 ; void *argp1 = 0 ;
11358   int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
11359   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBOrbitalData, 0 |  0 );
11360   if (!SWIG_IsOK(res1)) {
11361     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBOrbitalData_SetAlphaOrbitals" "', argument " "1"" of type '" "OpenBabel::OBOrbitalData *""'");  }
11362    arg1 = reinterpret_cast< OpenBabel::OBOrbitalData * >(argp1); {
11363     res2 = SWIG_R_ConvertPtr(orbitalList, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBOrbital_std__allocatorT_OpenBabel__OBOrbital_t_t,  0 );
11364     if (!SWIG_IsOK(res2)) {
11365       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBOrbitalData_SetAlphaOrbitals" "', argument " "2"" of type '" "std::vector< OpenBabel::OBOrbital,std::allocator< OpenBabel::OBOrbital > >""'");  }
11366        if (!argp2) {
11367       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBOrbitalData_SetAlphaOrbitals" "', argument " "2"" of type '" "std::vector< OpenBabel::OBOrbital,std::allocator< OpenBabel::OBOrbital > >""'"); }
11368      else { arg2 = *(reinterpret_cast< std::vector< OpenBabel::OBOrbital,std::allocator< OpenBabel::OBOrbital > > * >(argp2)); }
11369      }  (arg1)->SetAlphaOrbitals(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
11370   return r_ans; }
R_swig_OBOrbitalData_SetBetaOrbitals(SEXP self,SEXP orbitalList)11371 SWIGEXPORT SEXP R_swig_OBOrbitalData_SetBetaOrbitals ( SEXP self, SEXP orbitalList) {
11372   OpenBabel::OBOrbitalData *arg1 = (OpenBabel::OBOrbitalData *) 0 ;
11373   SwigValueWrapper< std::vector< OpenBabel::OBOrbital,std::allocator< OpenBabel::OBOrbital > > > arg2 ; void *argp1 = 0 ;
11374   int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
11375   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBOrbitalData, 0 |  0 );
11376   if (!SWIG_IsOK(res1)) {
11377     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBOrbitalData_SetBetaOrbitals" "', argument " "1"" of type '" "OpenBabel::OBOrbitalData *""'");  }
11378    arg1 = reinterpret_cast< OpenBabel::OBOrbitalData * >(argp1); {
11379     res2 = SWIG_R_ConvertPtr(orbitalList, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBOrbital_std__allocatorT_OpenBabel__OBOrbital_t_t,  0 );
11380     if (!SWIG_IsOK(res2)) {
11381       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBOrbitalData_SetBetaOrbitals" "', argument " "2"" of type '" "std::vector< OpenBabel::OBOrbital,std::allocator< OpenBabel::OBOrbital > >""'");  }
11382        if (!argp2) {
11383       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBOrbitalData_SetBetaOrbitals" "', argument " "2"" of type '" "std::vector< OpenBabel::OBOrbital,std::allocator< OpenBabel::OBOrbital > >""'"); }
11384      else { arg2 = *(reinterpret_cast< std::vector< OpenBabel::OBOrbital,std::allocator< OpenBabel::OBOrbital > > * >(argp2)); }
11385      }  (arg1)->SetBetaOrbitals(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
11386   return r_ans; }
R_swig_OBOrbitalData_SetHOMO__SWIG_0(SEXP self,SEXP alpha,SEXP beta)11387 SWIGEXPORT SEXP R_swig_OBOrbitalData_SetHOMO__SWIG_0 ( SEXP self, SEXP alpha, SEXP beta) {
11388   OpenBabel::OBOrbitalData *arg1 = (OpenBabel::OBOrbitalData *) 0 ; int arg2 ; int arg3 ; void *argp1 = 0 ; int res1 = 0 ;
11389   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11390   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBOrbitalData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11391     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBOrbitalData_SetHOMO" "', argument " "1"" of type '" "OpenBabel::OBOrbitalData *""'");  }
11392    arg1 = reinterpret_cast< OpenBabel::OBOrbitalData * >(argp1); arg2 = static_cast< int >(INTEGER(alpha)[0]);
11393   arg3 = static_cast< int >(INTEGER(beta)[0]); (arg1)->SetHOMO(arg2,arg3); r_ans = R_NilValue; vmaxset(r_vmax);
11394   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBOrbitalData_SetHOMO__SWIG_1(SEXP self,SEXP alpha)11395 SWIGEXPORT SEXP R_swig_OBOrbitalData_SetHOMO__SWIG_1 ( SEXP self, SEXP alpha) {
11396   OpenBabel::OBOrbitalData *arg1 = (OpenBabel::OBOrbitalData *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
11397   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11398   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBOrbitalData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11399     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBOrbitalData_SetHOMO" "', argument " "1"" of type '" "OpenBabel::OBOrbitalData *""'");  }
11400    arg1 = reinterpret_cast< OpenBabel::OBOrbitalData * >(argp1); arg2 = static_cast< int >(INTEGER(alpha)[0]);
11401   (arg1)->SetHOMO(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBOrbitalData_SetOpenShell(SEXP self,SEXP openShell)11402 SWIGEXPORT SEXP R_swig_OBOrbitalData_SetOpenShell ( SEXP self, SEXP openShell) {
11403   OpenBabel::OBOrbitalData *arg1 = (OpenBabel::OBOrbitalData *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
11404   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11405   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBOrbitalData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11406     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBOrbitalData_SetOpenShell" "', argument " "1"" of type '" "OpenBabel::OBOrbitalData *""'");  }
11407    arg1 = reinterpret_cast< OpenBabel::OBOrbitalData * >(argp1); arg2 = LOGICAL(openShell)[0] ? true : false;
11408   (arg1)->SetOpenShell(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBOrbitalData_IsOpenShell(SEXP self,SEXP s_swig_copy)11409 SWIGEXPORT SEXP R_swig_OBOrbitalData_IsOpenShell ( SEXP self, SEXP s_swig_copy) { bool result;
11410   OpenBabel::OBOrbitalData *arg1 = (OpenBabel::OBOrbitalData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
11411   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11412   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBOrbitalData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11413     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBOrbitalData_IsOpenShell" "', argument " "1"" of type '" "OpenBabel::OBOrbitalData *""'");  }
11414    arg1 = reinterpret_cast< OpenBabel::OBOrbitalData * >(argp1); result = (bool)(arg1)->IsOpenShell();
11415   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBOrbitalData_GetAlphaHOMO(SEXP self,SEXP s_swig_copy)11416 SWIGEXPORT SEXP R_swig_OBOrbitalData_GetAlphaHOMO ( SEXP self, SEXP s_swig_copy) { unsigned int result;
11417   OpenBabel::OBOrbitalData *arg1 = (OpenBabel::OBOrbitalData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
11418   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11419   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBOrbitalData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11420     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBOrbitalData_GetAlphaHOMO" "', argument " "1"" of type '" "OpenBabel::OBOrbitalData *""'");  }
11421    arg1 = reinterpret_cast< OpenBabel::OBOrbitalData * >(argp1); result = (unsigned int)(arg1)->GetAlphaHOMO();
11422   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBOrbitalData_GetBetaHOMO(SEXP self,SEXP s_swig_copy)11423 SWIGEXPORT SEXP R_swig_OBOrbitalData_GetBetaHOMO ( SEXP self, SEXP s_swig_copy) { unsigned int result;
11424   OpenBabel::OBOrbitalData *arg1 = (OpenBabel::OBOrbitalData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
11425   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11426   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBOrbitalData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11427     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBOrbitalData_GetBetaHOMO" "', argument " "1"" of type '" "OpenBabel::OBOrbitalData *""'");  }
11428    arg1 = reinterpret_cast< OpenBabel::OBOrbitalData * >(argp1); result = (unsigned int)(arg1)->GetBetaHOMO();
11429   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBOrbitalData_GetAlphaOrbitals(SEXP self,SEXP s_swig_copy)11430 SWIGEXPORT SEXP R_swig_OBOrbitalData_GetAlphaOrbitals ( SEXP self, SEXP s_swig_copy) {
11431   SwigValueWrapper< std::vector< OpenBabel::OBOrbital,std::allocator< OpenBabel::OBOrbital > > > result;
11432   OpenBabel::OBOrbitalData *arg1 = (OpenBabel::OBOrbitalData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
11433   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11434   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBOrbitalData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11435     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBOrbitalData_GetAlphaOrbitals" "', argument " "1"" of type '" "OpenBabel::OBOrbitalData *""'");  }
11436    arg1 = reinterpret_cast< OpenBabel::OBOrbitalData * >(argp1); result = (arg1)->GetAlphaOrbitals();
11437   r_ans = SWIG_R_NewPointerObj((new std::vector< OpenBabel::OBOrbital,std::allocator< OpenBabel::OBOrbital > >(static_cast< const std::vector< OpenBabel::OBOrbital,std::allocator< OpenBabel::OBOrbital > >& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBOrbital_std__allocatorT_OpenBabel__OBOrbital_t_t, SWIG_POINTER_OWN |  0 );
11438   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBOrbitalData_GetBetaOrbitals(SEXP self,SEXP s_swig_copy)11439 SWIGEXPORT SEXP R_swig_OBOrbitalData_GetBetaOrbitals ( SEXP self, SEXP s_swig_copy) {
11440   SwigValueWrapper< std::vector< OpenBabel::OBOrbital,std::allocator< OpenBabel::OBOrbital > > > result;
11441   OpenBabel::OBOrbitalData *arg1 = (OpenBabel::OBOrbitalData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
11442   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11443   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBOrbitalData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11444     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBOrbitalData_GetBetaOrbitals" "', argument " "1"" of type '" "OpenBabel::OBOrbitalData *""'");  }
11445    arg1 = reinterpret_cast< OpenBabel::OBOrbitalData * >(argp1); result = (arg1)->GetBetaOrbitals();
11446   r_ans = SWIG_R_NewPointerObj((new std::vector< OpenBabel::OBOrbital,std::allocator< OpenBabel::OBOrbital > >(static_cast< const std::vector< OpenBabel::OBOrbital,std::allocator< OpenBabel::OBOrbital > >& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBOrbital_std__allocatorT_OpenBabel__OBOrbital_t_t, SWIG_POINTER_OWN |  0 );
11447   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBOrbitalData_LoadClosedShellOrbitals(SEXP self,SEXP energies,SEXP symmetries,SEXP alphaHOMO)11448 SWIGEXPORT SEXP R_swig_OBOrbitalData_LoadClosedShellOrbitals ( SEXP self, SEXP energies, SEXP symmetries, SEXP alphaHOMO) {
11449   OpenBabel::OBOrbitalData *arg1 = (OpenBabel::OBOrbitalData *) 0 ; std::vector< double,std::allocator< double > > arg2 ;
11450   std::vector< std::string,std::allocator< std::string > > arg3 ; int arg4 ; void *argp1 = 0 ; int res1 = 0 ;
11451   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11452   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBOrbitalData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11453     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBOrbitalData_LoadClosedShellOrbitals" "', argument " "1"" of type '" "OpenBabel::OBOrbitalData *""'");  }
11454    arg1 = reinterpret_cast< OpenBabel::OBOrbitalData * >(argp1); {
11455     std::vector<double,std::allocator< double > > *ptr = (std::vector<double,std::allocator< double > > *)0;
11456     int res = swig::asptr(energies, &ptr); if (!SWIG_IsOK(res) || !ptr) {
11457       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBOrbitalData_LoadClosedShellOrbitals" "', argument " "2"" of type '" "std::vector< double,std::allocator< double > >""'");  }
11458      arg2 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  {
11459     std::vector<std::string,std::allocator< std::string > > *ptr = (std::vector<std::string,std::allocator< std::string > > *)0;
11460     int res = swig::asptr(symmetries, &ptr); if (!SWIG_IsOK(res) || !ptr) {
11461       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBOrbitalData_LoadClosedShellOrbitals" "', argument " "3"" of type '" "std::vector< std::string,std::allocator< std::string > >""'");  }
11462      arg3 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  arg4 = static_cast< int >(INTEGER(alphaHOMO)[0]);
11463   (arg1)->LoadClosedShellOrbitals(arg2,arg3,arg4); r_ans = R_NilValue; vmaxset(r_vmax);
11464   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBOrbitalData_LoadAlphaOrbitals(SEXP self,SEXP energies,SEXP symmetries,SEXP alphaHOMO)11465 SWIGEXPORT SEXP R_swig_OBOrbitalData_LoadAlphaOrbitals ( SEXP self, SEXP energies, SEXP symmetries, SEXP alphaHOMO) {
11466   OpenBabel::OBOrbitalData *arg1 = (OpenBabel::OBOrbitalData *) 0 ; std::vector< double,std::allocator< double > > arg2 ;
11467   std::vector< std::string,std::allocator< std::string > > arg3 ; int arg4 ; void *argp1 = 0 ; int res1 = 0 ;
11468   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11469   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBOrbitalData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11470     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBOrbitalData_LoadAlphaOrbitals" "', argument " "1"" of type '" "OpenBabel::OBOrbitalData *""'");  }
11471    arg1 = reinterpret_cast< OpenBabel::OBOrbitalData * >(argp1); {
11472     std::vector<double,std::allocator< double > > *ptr = (std::vector<double,std::allocator< double > > *)0;
11473     int res = swig::asptr(energies, &ptr); if (!SWIG_IsOK(res) || !ptr) {
11474       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBOrbitalData_LoadAlphaOrbitals" "', argument " "2"" of type '" "std::vector< double,std::allocator< double > >""'");  }
11475      arg2 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  {
11476     std::vector<std::string,std::allocator< std::string > > *ptr = (std::vector<std::string,std::allocator< std::string > > *)0;
11477     int res = swig::asptr(symmetries, &ptr); if (!SWIG_IsOK(res) || !ptr) {
11478       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBOrbitalData_LoadAlphaOrbitals" "', argument " "3"" of type '" "std::vector< std::string,std::allocator< std::string > >""'");  }
11479      arg3 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  arg4 = static_cast< int >(INTEGER(alphaHOMO)[0]);
11480   (arg1)->LoadAlphaOrbitals(arg2,arg3,arg4); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
11481   return r_ans; }
R_swig_OBOrbitalData_LoadBetaOrbitals(SEXP self,SEXP energies,SEXP symmetries,SEXP betaHOMO)11482 SWIGEXPORT SEXP R_swig_OBOrbitalData_LoadBetaOrbitals ( SEXP self, SEXP energies, SEXP symmetries, SEXP betaHOMO) {
11483   OpenBabel::OBOrbitalData *arg1 = (OpenBabel::OBOrbitalData *) 0 ; std::vector< double,std::allocator< double > > arg2 ;
11484   std::vector< std::string,std::allocator< std::string > > arg3 ; int arg4 ; void *argp1 = 0 ; int res1 = 0 ;
11485   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11486   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBOrbitalData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11487     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBOrbitalData_LoadBetaOrbitals" "', argument " "1"" of type '" "OpenBabel::OBOrbitalData *""'");  }
11488    arg1 = reinterpret_cast< OpenBabel::OBOrbitalData * >(argp1); {
11489     std::vector<double,std::allocator< double > > *ptr = (std::vector<double,std::allocator< double > > *)0;
11490     int res = swig::asptr(energies, &ptr); if (!SWIG_IsOK(res) || !ptr) {
11491       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBOrbitalData_LoadBetaOrbitals" "', argument " "2"" of type '" "std::vector< double,std::allocator< double > >""'");  }
11492      arg2 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  {
11493     std::vector<std::string,std::allocator< std::string > > *ptr = (std::vector<std::string,std::allocator< std::string > > *)0;
11494     int res = swig::asptr(symmetries, &ptr); if (!SWIG_IsOK(res) || !ptr) {
11495       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBOrbitalData_LoadBetaOrbitals" "', argument " "3"" of type '" "std::vector< std::string,std::allocator< std::string > >""'");  }
11496      arg3 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  arg4 = static_cast< int >(INTEGER(betaHOMO)[0]);
11497   (arg1)->LoadBetaOrbitals(arg2,arg3,arg4); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
11498   return r_ans; }
R_swig_new_OBElectronicTransitionData()11499 SWIGEXPORT SEXP R_swig_new_OBElectronicTransitionData ( ) { OpenBabel::OBElectronicTransitionData *result = 0 ;
11500   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11501   result = (OpenBabel::OBElectronicTransitionData *)new OpenBabel::OBElectronicTransitionData();
11502   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBElectronicTransitionData, R_SWIG_OWNER |  0 );
11503   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBElectronicTransitionData(SEXP self)11504 SWIGEXPORT SEXP R_swig_delete_OBElectronicTransitionData ( SEXP self) {
11505   OpenBabel::OBElectronicTransitionData *arg1 = (OpenBabel::OBElectronicTransitionData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
11506   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11507   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBElectronicTransitionData, SWIG_POINTER_DISOWN |  0 );
11508   if (!SWIG_IsOK(res1)) {
11509     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBElectronicTransitionData" "', argument " "1"" of type '" "OpenBabel::OBElectronicTransitionData *""'");  }
11510    arg1 = reinterpret_cast< OpenBabel::OBElectronicTransitionData * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
11511   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBElectronicTransitionData_SetData(SEXP self,SEXP wavelengths,SEXP forces)11512 SWIGEXPORT SEXP R_swig_OBElectronicTransitionData_SetData ( SEXP self, SEXP wavelengths, SEXP forces) {
11513   OpenBabel::OBElectronicTransitionData *arg1 = (OpenBabel::OBElectronicTransitionData *) 0 ;
11514   std::vector< double,std::allocator< double > > *arg2 = 0 ; std::vector< double,std::allocator< double > > *arg3 = 0 ;
11515   void *argp1 = 0 ; int res1 = 0 ; int res2 = SWIG_OLDOBJ ; int res3 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0;
11516   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11517   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBElectronicTransitionData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11518     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBElectronicTransitionData_SetData" "', argument " "1"" of type '" "OpenBabel::OBElectronicTransitionData *""'");  }
11519    arg1 = reinterpret_cast< OpenBabel::OBElectronicTransitionData * >(argp1); {
11520     std::vector<double,std::allocator< double > > *ptr = (std::vector<double,std::allocator< double > > *)0;
11521     res2 = swig::asptr(wavelengths, &ptr); if (!SWIG_IsOK(res2)) {
11522       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBElectronicTransitionData_SetData" "', argument " "2"" of type '" "std::vector< double,std::allocator< double > > const &""'"); }
11523      if (!ptr) {
11524       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBElectronicTransitionData_SetData" "', argument " "2"" of type '" "std::vector< double,std::allocator< double > > const &""'"); }
11525      arg2 = ptr; }  { std::vector<double,std::allocator< double > > *ptr = (std::vector<double,std::allocator< double > > *)0;
11526     res3 = swig::asptr(forces, &ptr); if (!SWIG_IsOK(res3)) {
11527       SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBElectronicTransitionData_SetData" "', argument " "3"" of type '" "std::vector< double,std::allocator< double > > const &""'"); }
11528      if (!ptr) {
11529       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBElectronicTransitionData_SetData" "', argument " "3"" of type '" "std::vector< double,std::allocator< double > > const &""'"); }
11530      arg3 = ptr; }
11531   (arg1)->SetData((std::vector< double,std::allocator< double > > const &)*arg2,(std::vector< double,std::allocator< double > > const &)*arg3);
11532   r_ans = R_NilValue; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; vmaxset(r_vmax);
11533   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBElectronicTransitionData_SetEDipole(SEXP self,SEXP s_arg2)11534 SWIGEXPORT SEXP R_swig_OBElectronicTransitionData_SetEDipole ( SEXP self, SEXP s_arg2) {
11535   OpenBabel::OBElectronicTransitionData *arg1 = (OpenBabel::OBElectronicTransitionData *) 0 ;
11536   std::vector< double,std::allocator< double > > *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ; int res2 = SWIG_OLDOBJ ;
11537   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11538   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBElectronicTransitionData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11539     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBElectronicTransitionData_SetEDipole" "', argument " "1"" of type '" "OpenBabel::OBElectronicTransitionData *""'");  }
11540    arg1 = reinterpret_cast< OpenBabel::OBElectronicTransitionData * >(argp1); {
11541     std::vector<double,std::allocator< double > > *ptr = (std::vector<double,std::allocator< double > > *)0;
11542     res2 = swig::asptr(s_arg2, &ptr); if (!SWIG_IsOK(res2)) {
11543       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBElectronicTransitionData_SetEDipole" "', argument " "2"" of type '" "std::vector< double,std::allocator< double > > const &""'"); }
11544      if (!ptr) {
11545       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBElectronicTransitionData_SetEDipole" "', argument " "2"" of type '" "std::vector< double,std::allocator< double > > const &""'"); }
11546      arg2 = ptr; }  (arg1)->SetEDipole((std::vector< double,std::allocator< double > > const &)*arg2); r_ans = R_NilValue;
11547   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBElectronicTransitionData_SetRotatoryStrengthsVelocity(SEXP self,SEXP s_arg2)11548 SWIGEXPORT SEXP R_swig_OBElectronicTransitionData_SetRotatoryStrengthsVelocity ( SEXP self, SEXP s_arg2) {
11549   OpenBabel::OBElectronicTransitionData *arg1 = (OpenBabel::OBElectronicTransitionData *) 0 ;
11550   std::vector< double,std::allocator< double > > *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ; int res2 = SWIG_OLDOBJ ;
11551   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11552   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBElectronicTransitionData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11553     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBElectronicTransitionData_SetRotatoryStrengthsVelocity" "', argument " "1"" of type '" "OpenBabel::OBElectronicTransitionData *""'");  }
11554    arg1 = reinterpret_cast< OpenBabel::OBElectronicTransitionData * >(argp1); {
11555     std::vector<double,std::allocator< double > > *ptr = (std::vector<double,std::allocator< double > > *)0;
11556     res2 = swig::asptr(s_arg2, &ptr); if (!SWIG_IsOK(res2)) {
11557       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBElectronicTransitionData_SetRotatoryStrengthsVelocity" "', argument " "2"" of type '" "std::vector< double,std::allocator< double > > const &""'"); }
11558      if (!ptr) {
11559       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBElectronicTransitionData_SetRotatoryStrengthsVelocity" "', argument " "2"" of type '" "std::vector< double,std::allocator< double > > const &""'"); }
11560      arg2 = ptr; }  (arg1)->SetRotatoryStrengthsVelocity((std::vector< double,std::allocator< double > > const &)*arg2);
11561   r_ans = R_NilValue; if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
11562   return r_ans; }
R_swig_OBElectronicTransitionData_SetRotatoryStrengthsLength(SEXP self,SEXP s_arg2)11563 SWIGEXPORT SEXP R_swig_OBElectronicTransitionData_SetRotatoryStrengthsLength ( SEXP self, SEXP s_arg2) {
11564   OpenBabel::OBElectronicTransitionData *arg1 = (OpenBabel::OBElectronicTransitionData *) 0 ;
11565   std::vector< double,std::allocator< double > > *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ; int res2 = SWIG_OLDOBJ ;
11566   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11567   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBElectronicTransitionData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11568     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBElectronicTransitionData_SetRotatoryStrengthsLength" "', argument " "1"" of type '" "OpenBabel::OBElectronicTransitionData *""'");  }
11569    arg1 = reinterpret_cast< OpenBabel::OBElectronicTransitionData * >(argp1); {
11570     std::vector<double,std::allocator< double > > *ptr = (std::vector<double,std::allocator< double > > *)0;
11571     res2 = swig::asptr(s_arg2, &ptr); if (!SWIG_IsOK(res2)) {
11572       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBElectronicTransitionData_SetRotatoryStrengthsLength" "', argument " "2"" of type '" "std::vector< double,std::allocator< double > > const &""'"); }
11573      if (!ptr) {
11574       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBElectronicTransitionData_SetRotatoryStrengthsLength" "', argument " "2"" of type '" "std::vector< double,std::allocator< double > > const &""'"); }
11575      arg2 = ptr; }  (arg1)->SetRotatoryStrengthsLength((std::vector< double,std::allocator< double > > const &)*arg2);
11576   r_ans = R_NilValue; if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
11577   return r_ans; }
R_swig_OBElectronicTransitionData_GetWavelengths(SEXP self,SEXP s_swig_copy)11578 SWIGEXPORT SEXP R_swig_OBElectronicTransitionData_GetWavelengths ( SEXP self, SEXP s_swig_copy) {
11579   std::vector< double,std::allocator< double > > result;
11580   OpenBabel::OBElectronicTransitionData *arg1 = (OpenBabel::OBElectronicTransitionData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
11581   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11582   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBElectronicTransitionData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11583     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBElectronicTransitionData_GetWavelengths" "', argument " "1"" of type '" "OpenBabel::OBElectronicTransitionData const *""'");  }
11584    arg1 = reinterpret_cast< OpenBabel::OBElectronicTransitionData * >(argp1);
11585   result = ((OpenBabel::OBElectronicTransitionData const *)arg1)->GetWavelengths();
11586   r_ans = swig::from(static_cast< std::vector<double,std::allocator< double > > >(result)); vmaxset(r_vmax);
11587   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBElectronicTransitionData_GetForces(SEXP self,SEXP s_swig_copy)11588 SWIGEXPORT SEXP R_swig_OBElectronicTransitionData_GetForces ( SEXP self, SEXP s_swig_copy) {
11589   std::vector< double,std::allocator< double > > result;
11590   OpenBabel::OBElectronicTransitionData *arg1 = (OpenBabel::OBElectronicTransitionData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
11591   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11592   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBElectronicTransitionData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11593     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBElectronicTransitionData_GetForces" "', argument " "1"" of type '" "OpenBabel::OBElectronicTransitionData const *""'");  }
11594    arg1 = reinterpret_cast< OpenBabel::OBElectronicTransitionData * >(argp1);
11595   result = ((OpenBabel::OBElectronicTransitionData const *)arg1)->GetForces();
11596   r_ans = swig::from(static_cast< std::vector<double,std::allocator< double > > >(result)); vmaxset(r_vmax);
11597   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBElectronicTransitionData_GetEDipole(SEXP self,SEXP s_swig_copy)11598 SWIGEXPORT SEXP R_swig_OBElectronicTransitionData_GetEDipole ( SEXP self, SEXP s_swig_copy) {
11599   std::vector< double,std::allocator< double > > result;
11600   OpenBabel::OBElectronicTransitionData *arg1 = (OpenBabel::OBElectronicTransitionData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
11601   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11602   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBElectronicTransitionData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11603     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBElectronicTransitionData_GetEDipole" "', argument " "1"" of type '" "OpenBabel::OBElectronicTransitionData const *""'");  }
11604    arg1 = reinterpret_cast< OpenBabel::OBElectronicTransitionData * >(argp1);
11605   result = ((OpenBabel::OBElectronicTransitionData const *)arg1)->GetEDipole();
11606   r_ans = swig::from(static_cast< std::vector<double,std::allocator< double > > >(result)); vmaxset(r_vmax);
11607   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBElectronicTransitionData_GetRotatoryStrengthsVelocity(SEXP self,SEXP s_swig_copy)11608 SWIGEXPORT SEXP R_swig_OBElectronicTransitionData_GetRotatoryStrengthsVelocity ( SEXP self, SEXP s_swig_copy) {
11609   std::vector< double,std::allocator< double > > result;
11610   OpenBabel::OBElectronicTransitionData *arg1 = (OpenBabel::OBElectronicTransitionData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
11611   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11612   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBElectronicTransitionData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11613     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBElectronicTransitionData_GetRotatoryStrengthsVelocity" "', argument " "1"" of type '" "OpenBabel::OBElectronicTransitionData const *""'");  }
11614    arg1 = reinterpret_cast< OpenBabel::OBElectronicTransitionData * >(argp1);
11615   result = ((OpenBabel::OBElectronicTransitionData const *)arg1)->GetRotatoryStrengthsVelocity();
11616   r_ans = swig::from(static_cast< std::vector<double,std::allocator< double > > >(result)); vmaxset(r_vmax);
11617   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBElectronicTransitionData_GetRotatoryStrengthsLength(SEXP self,SEXP s_swig_copy)11618 SWIGEXPORT SEXP R_swig_OBElectronicTransitionData_GetRotatoryStrengthsLength ( SEXP self, SEXP s_swig_copy) {
11619   std::vector< double,std::allocator< double > > result;
11620   OpenBabel::OBElectronicTransitionData *arg1 = (OpenBabel::OBElectronicTransitionData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
11621   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11622   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBElectronicTransitionData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11623     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBElectronicTransitionData_GetRotatoryStrengthsLength" "', argument " "1"" of type '" "OpenBabel::OBElectronicTransitionData const *""'");  }
11624    arg1 = reinterpret_cast< OpenBabel::OBElectronicTransitionData * >(argp1);
11625   result = ((OpenBabel::OBElectronicTransitionData const *)arg1)->GetRotatoryStrengthsLength();
11626   r_ans = swig::from(static_cast< std::vector<double,std::allocator< double > > >(result)); vmaxset(r_vmax);
11627   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBRotationData()11628 SWIGEXPORT SEXP R_swig_new_OBRotationData ( ) { OpenBabel::OBRotationData *result = 0 ; unsigned int r_nprotect = 0;
11629   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBRotationData *)new OpenBabel::OBRotationData();
11630   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBRotationData, R_SWIG_OWNER |  0 );
11631   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBRotationData(SEXP self)11632 SWIGEXPORT SEXP R_swig_delete_OBRotationData ( SEXP self) { OpenBabel::OBRotationData *arg1 = (OpenBabel::OBRotationData *) 0 ;
11633   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11634   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotationData, SWIG_POINTER_DISOWN |  0 );
11635   if (!SWIG_IsOK(res1)) {
11636     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBRotationData" "', argument " "1"" of type '" "OpenBabel::OBRotationData *""'");  }
11637    arg1 = reinterpret_cast< OpenBabel::OBRotationData * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
11638   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBRotationData_SetData(SEXP self,SEXP RotorType,SEXP RotationalConstants,SEXP SymmetryNumber)11639 SWIGEXPORT SEXP R_swig_OBRotationData_SetData ( SEXP self, SEXP RotorType, SEXP RotationalConstants, SEXP SymmetryNumber) {
11640   OpenBabel::OBRotationData *arg1 = (OpenBabel::OBRotationData *) 0 ; OpenBabel::OBRotationData::RType arg2 ;
11641   std::vector< double,std::allocator< double > > arg3 ; int arg4 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ;
11642   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11643   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotationData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11644     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotationData_SetData" "', argument " "1"" of type '" "OpenBabel::OBRotationData *""'");  }
11645    arg1 = reinterpret_cast< OpenBabel::OBRotationData * >(argp1); ecode2 = SWIG_AsVal_int(RotorType, &val2);
11646   if (!SWIG_IsOK(ecode2)) {
11647     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBRotationData_SetData" "', argument " "2"" of type '" "OpenBabel::OBRotationData::RType""'"); }
11648     arg2 = static_cast< OpenBabel::OBRotationData::RType >(val2); {
11649     std::vector<double,std::allocator< double > > *ptr = (std::vector<double,std::allocator< double > > *)0;
11650     int res = swig::asptr(RotationalConstants, &ptr); if (!SWIG_IsOK(res) || !ptr) {
11651       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBRotationData_SetData" "', argument " "3"" of type '" "std::vector< double,std::allocator< double > >""'");  }
11652      arg3 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  arg4 = static_cast< int >(INTEGER(SymmetryNumber)[0]);
11653   (arg1)->SetData(arg2,arg3,arg4); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotationData_GetRotConsts(SEXP self,SEXP s_swig_copy)11654 SWIGEXPORT SEXP R_swig_OBRotationData_GetRotConsts ( SEXP self, SEXP s_swig_copy) {
11655   std::vector< double,std::allocator< double > > result; OpenBabel::OBRotationData *arg1 = (OpenBabel::OBRotationData *) 0 ;
11656   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11657   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotationData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11658     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotationData_GetRotConsts" "', argument " "1"" of type '" "OpenBabel::OBRotationData const *""'");  }
11659    arg1 = reinterpret_cast< OpenBabel::OBRotationData * >(argp1);
11660   result = ((OpenBabel::OBRotationData const *)arg1)->GetRotConsts();
11661   r_ans = swig::from(static_cast< std::vector<double,std::allocator< double > > >(result)); vmaxset(r_vmax);
11662   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotationData_GetSymmetryNumber(SEXP self,SEXP s_swig_copy)11663 SWIGEXPORT SEXP R_swig_OBRotationData_GetSymmetryNumber ( SEXP self, SEXP s_swig_copy) { int result;
11664   OpenBabel::OBRotationData *arg1 = (OpenBabel::OBRotationData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
11665   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11666   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotationData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11667     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotationData_GetSymmetryNumber" "', argument " "1"" of type '" "OpenBabel::OBRotationData const *""'");  }
11668    arg1 = reinterpret_cast< OpenBabel::OBRotationData * >(argp1);
11669   result = (int)((OpenBabel::OBRotationData const *)arg1)->GetSymmetryNumber(); r_ans = Rf_ScalarInteger(result);
11670   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotationData_GetRotorType(SEXP self,SEXP s_swig_copy)11671 SWIGEXPORT SEXP R_swig_OBRotationData_GetRotorType ( SEXP self, SEXP s_swig_copy) { OpenBabel::OBRotationData::RType result;
11672   OpenBabel::OBRotationData *arg1 = (OpenBabel::OBRotationData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
11673   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11674   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotationData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11675     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotationData_GetRotorType" "', argument " "1"" of type '" "OpenBabel::OBRotationData const *""'");  }
11676    arg1 = reinterpret_cast< OpenBabel::OBRotationData * >(argp1);
11677   result = (OpenBabel::OBRotationData::RType)((OpenBabel::OBRotationData const *)arg1)->GetRotorType();
11678   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBVectorData()11679 SWIGEXPORT SEXP R_swig_new_OBVectorData ( ) { OpenBabel::OBVectorData *result = 0 ; unsigned int r_nprotect = 0;
11680   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBVectorData *)new OpenBabel::OBVectorData();
11681   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBVectorData, R_SWIG_OWNER |  0 );
11682   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBVectorData(SEXP self)11683 SWIGEXPORT SEXP R_swig_delete_OBVectorData ( SEXP self) { OpenBabel::OBVectorData *arg1 = (OpenBabel::OBVectorData *) 0 ;
11684   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11685   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBVectorData, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
11686     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBVectorData" "', argument " "1"" of type '" "OpenBabel::OBVectorData *""'");  }
11687    arg1 = reinterpret_cast< OpenBabel::OBVectorData * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
11688   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBVectorData_SetData__SWIG_0(SEXP self,SEXP x,SEXP y,SEXP z)11689 SWIGEXPORT SEXP R_swig_OBVectorData_SetData__SWIG_0 ( SEXP self, SEXP x, SEXP y, SEXP z) {
11690   OpenBabel::OBVectorData *arg1 = (OpenBabel::OBVectorData *) 0 ; double arg2 ; double arg3 ; double arg4 ; void *argp1 = 0 ;
11691   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11692   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBVectorData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11693     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBVectorData_SetData" "', argument " "1"" of type '" "OpenBabel::OBVectorData *""'");  }
11694    arg1 = reinterpret_cast< OpenBabel::OBVectorData * >(argp1); arg2 = static_cast< double >(REAL(x)[0]);
11695   arg3 = static_cast< double >(REAL(y)[0]); arg4 = static_cast< double >(REAL(z)[0]); (arg1)->SetData(arg2,arg3,arg4);
11696   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBVectorData_SetData__SWIG_1(SEXP self,SEXP data)11697 SWIGEXPORT SEXP R_swig_OBVectorData_SetData__SWIG_1 ( SEXP self, SEXP data) {
11698   OpenBabel::OBVectorData *arg1 = (OpenBabel::OBVectorData *) 0 ; OpenBabel::vector3 arg2 ; void *argp1 = 0 ; int res1 = 0 ;
11699   void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11700   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBVectorData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11701     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBVectorData_SetData" "', argument " "1"" of type '" "OpenBabel::OBVectorData *""'");  }
11702    arg1 = reinterpret_cast< OpenBabel::OBVectorData * >(argp1); {
11703     res2 = SWIG_R_ConvertPtr(data, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
11704       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBVectorData_SetData" "', argument " "2"" of type '" "OpenBabel::vector3""'");  }
11705        if (!argp2) {
11706       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBVectorData_SetData" "', argument " "2"" of type '" "OpenBabel::vector3""'"); }
11707      else { arg2 = *(reinterpret_cast< OpenBabel::vector3 * >(argp2)); }  }  (arg1)->SetData(arg2); r_ans = R_NilValue;
11708   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBVectorData_GetData(SEXP self,SEXP s_swig_copy)11709 SWIGEXPORT SEXP R_swig_OBVectorData_GetData ( SEXP self, SEXP s_swig_copy) { OpenBabel::vector3 result;
11710   OpenBabel::OBVectorData *arg1 = (OpenBabel::OBVectorData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
11711   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11712   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBVectorData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11713     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBVectorData_GetData" "', argument " "1"" of type '" "OpenBabel::OBVectorData const *""'");  }
11714    arg1 = reinterpret_cast< OpenBabel::OBVectorData * >(argp1); result = ((OpenBabel::OBVectorData const *)arg1)->GetData();
11715   r_ans = SWIG_R_NewPointerObj((new OpenBabel::vector3(static_cast< const OpenBabel::vector3& >(result))), SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_OWN |  0 );
11716   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBMatrixData()11717 SWIGEXPORT SEXP R_swig_new_OBMatrixData ( ) { OpenBabel::OBMatrixData *result = 0 ; unsigned int r_nprotect = 0;
11718   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBMatrixData *)new OpenBabel::OBMatrixData();
11719   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMatrixData, R_SWIG_OWNER |  0 );
11720   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBMatrixData(SEXP self)11721 SWIGEXPORT SEXP R_swig_delete_OBMatrixData ( SEXP self) { OpenBabel::OBMatrixData *arg1 = (OpenBabel::OBMatrixData *) 0 ;
11722   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11723   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMatrixData, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
11724     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBMatrixData" "', argument " "1"" of type '" "OpenBabel::OBMatrixData *""'");  }
11725    arg1 = reinterpret_cast< OpenBabel::OBMatrixData * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
11726   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBMatrixData_SetData(SEXP self,SEXP data)11727 SWIGEXPORT SEXP R_swig_OBMatrixData_SetData ( SEXP self, SEXP data) {
11728   OpenBabel::OBMatrixData *arg1 = (OpenBabel::OBMatrixData *) 0 ; OpenBabel::matrix3x3 arg2 ; void *argp1 = 0 ; int res1 = 0 ;
11729   void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11730   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMatrixData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11731     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMatrixData_SetData" "', argument " "1"" of type '" "OpenBabel::OBMatrixData *""'");  }
11732    arg1 = reinterpret_cast< OpenBabel::OBMatrixData * >(argp1); {
11733     res2 = SWIG_R_ConvertPtr(data, &argp2, SWIGTYPE_p_OpenBabel__matrix3x3,  0 ); if (!SWIG_IsOK(res2)) {
11734       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMatrixData_SetData" "', argument " "2"" of type '" "OpenBabel::matrix3x3""'");  }
11735        if (!argp2) {
11736       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMatrixData_SetData" "', argument " "2"" of type '" "OpenBabel::matrix3x3""'"); }
11737      else { arg2 = *(reinterpret_cast< OpenBabel::matrix3x3 * >(argp2)); }  }  (arg1)->SetData(arg2); r_ans = R_NilValue;
11738   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMatrixData_GetData(SEXP self,SEXP s_swig_copy)11739 SWIGEXPORT SEXP R_swig_OBMatrixData_GetData ( SEXP self, SEXP s_swig_copy) { OpenBabel::matrix3x3 result;
11740   OpenBabel::OBMatrixData *arg1 = (OpenBabel::OBMatrixData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
11741   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11742   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMatrixData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11743     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMatrixData_GetData" "', argument " "1"" of type '" "OpenBabel::OBMatrixData const *""'");  }
11744    arg1 = reinterpret_cast< OpenBabel::OBMatrixData * >(argp1); result = ((OpenBabel::OBMatrixData const *)arg1)->GetData();
11745   r_ans = SWIG_R_NewPointerObj((new OpenBabel::matrix3x3(static_cast< const OpenBabel::matrix3x3& >(result))), SWIGTYPE_p_OpenBabel__matrix3x3, SWIG_POINTER_OWN |  0 );
11746   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBFreeGridPoint__SWIG_0()11747 SWIGEXPORT SEXP R_swig_new_OBFreeGridPoint__SWIG_0 ( ) { OpenBabel::OBFreeGridPoint *result = 0 ; unsigned int r_nprotect = 0;
11748   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11749   result = (OpenBabel::OBFreeGridPoint *)new OpenBabel::OBFreeGridPoint();
11750   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBFreeGridPoint, R_SWIG_OWNER |  0 );
11751   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBFreeGridPoint__SWIG_1(SEXP x,SEXP y,SEXP z,SEXP V)11752 SWIGEXPORT SEXP R_swig_new_OBFreeGridPoint__SWIG_1 ( SEXP x, SEXP y, SEXP z, SEXP V) { OpenBabel::OBFreeGridPoint *result = 0 ;
11753   double arg1 ; double arg2 ; double arg3 ; double arg4 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
11754   VMAXTYPE r_vmax = vmaxget() ; arg1 = static_cast< double >(REAL(x)[0]); arg2 = static_cast< double >(REAL(y)[0]);
11755   arg3 = static_cast< double >(REAL(z)[0]); arg4 = static_cast< double >(REAL(V)[0]);
11756   result = (OpenBabel::OBFreeGridPoint *)new OpenBabel::OBFreeGridPoint(arg1,arg2,arg3,arg4);
11757   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBFreeGridPoint, R_SWIG_OWNER |  0 );
11758   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBFreeGridPoint(SEXP self)11759 SWIGEXPORT SEXP R_swig_delete_OBFreeGridPoint ( SEXP self) {
11760   OpenBabel::OBFreeGridPoint *arg1 = (OpenBabel::OBFreeGridPoint *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
11761   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11762   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFreeGridPoint, SWIG_POINTER_DISOWN |  0 );
11763   if (!SWIG_IsOK(res1)) {
11764     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBFreeGridPoint" "', argument " "1"" of type '" "OpenBabel::OBFreeGridPoint *""'");  }
11765    arg1 = reinterpret_cast< OpenBabel::OBFreeGridPoint * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
11766   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBFreeGridPoint_GetX(SEXP self,SEXP s_swig_copy)11767 SWIGEXPORT SEXP R_swig_OBFreeGridPoint_GetX ( SEXP self, SEXP s_swig_copy) { double result;
11768   OpenBabel::OBFreeGridPoint *arg1 = (OpenBabel::OBFreeGridPoint *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
11769   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11770   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFreeGridPoint, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11771     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFreeGridPoint_GetX" "', argument " "1"" of type '" "OpenBabel::OBFreeGridPoint *""'");  }
11772    arg1 = reinterpret_cast< OpenBabel::OBFreeGridPoint * >(argp1); result = (double)(arg1)->GetX();
11773   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
11774   return r_ans; }
R_swig_OBFreeGridPoint_GetY(SEXP self,SEXP s_swig_copy)11775 SWIGEXPORT SEXP R_swig_OBFreeGridPoint_GetY ( SEXP self, SEXP s_swig_copy) { double result;
11776   OpenBabel::OBFreeGridPoint *arg1 = (OpenBabel::OBFreeGridPoint *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
11777   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11778   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFreeGridPoint, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11779     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFreeGridPoint_GetY" "', argument " "1"" of type '" "OpenBabel::OBFreeGridPoint *""'");  }
11780    arg1 = reinterpret_cast< OpenBabel::OBFreeGridPoint * >(argp1); result = (double)(arg1)->GetY();
11781   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
11782   return r_ans; }
R_swig_OBFreeGridPoint_GetZ(SEXP self,SEXP s_swig_copy)11783 SWIGEXPORT SEXP R_swig_OBFreeGridPoint_GetZ ( SEXP self, SEXP s_swig_copy) { double result;
11784   OpenBabel::OBFreeGridPoint *arg1 = (OpenBabel::OBFreeGridPoint *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
11785   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11786   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFreeGridPoint, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11787     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFreeGridPoint_GetZ" "', argument " "1"" of type '" "OpenBabel::OBFreeGridPoint *""'");  }
11788    arg1 = reinterpret_cast< OpenBabel::OBFreeGridPoint * >(argp1); result = (double)(arg1)->GetZ();
11789   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
11790   return r_ans; }
R_swig_OBFreeGridPoint_GetV(SEXP self,SEXP s_swig_copy)11791 SWIGEXPORT SEXP R_swig_OBFreeGridPoint_GetV ( SEXP self, SEXP s_swig_copy) { double result;
11792   OpenBabel::OBFreeGridPoint *arg1 = (OpenBabel::OBFreeGridPoint *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
11793   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11794   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFreeGridPoint, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11795     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFreeGridPoint_GetV" "', argument " "1"" of type '" "OpenBabel::OBFreeGridPoint *""'");  }
11796    arg1 = reinterpret_cast< OpenBabel::OBFreeGridPoint * >(argp1); result = (double)(arg1)->GetV();
11797   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
11798   return r_ans; }
R_swig_OBFreeGridPoint_SetX(SEXP self,SEXP x)11799 SWIGEXPORT SEXP R_swig_OBFreeGridPoint_SetX ( SEXP self, SEXP x) {
11800   OpenBabel::OBFreeGridPoint *arg1 = (OpenBabel::OBFreeGridPoint *) 0 ; double arg2 ; void *argp1 = 0 ; int res1 = 0 ;
11801   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11802   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFreeGridPoint, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11803     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFreeGridPoint_SetX" "', argument " "1"" of type '" "OpenBabel::OBFreeGridPoint *""'");  }
11804    arg1 = reinterpret_cast< OpenBabel::OBFreeGridPoint * >(argp1); arg2 = static_cast< double >(REAL(x)[0]); (arg1)->SetX(arg2);
11805   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFreeGridPoint_SetY(SEXP self,SEXP y)11806 SWIGEXPORT SEXP R_swig_OBFreeGridPoint_SetY ( SEXP self, SEXP y) {
11807   OpenBabel::OBFreeGridPoint *arg1 = (OpenBabel::OBFreeGridPoint *) 0 ; double arg2 ; void *argp1 = 0 ; int res1 = 0 ;
11808   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11809   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFreeGridPoint, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11810     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFreeGridPoint_SetY" "', argument " "1"" of type '" "OpenBabel::OBFreeGridPoint *""'");  }
11811    arg1 = reinterpret_cast< OpenBabel::OBFreeGridPoint * >(argp1); arg2 = static_cast< double >(REAL(y)[0]); (arg1)->SetY(arg2);
11812   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFreeGridPoint_SetZ(SEXP self,SEXP z)11813 SWIGEXPORT SEXP R_swig_OBFreeGridPoint_SetZ ( SEXP self, SEXP z) {
11814   OpenBabel::OBFreeGridPoint *arg1 = (OpenBabel::OBFreeGridPoint *) 0 ; double arg2 ; void *argp1 = 0 ; int res1 = 0 ;
11815   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11816   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFreeGridPoint, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11817     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFreeGridPoint_SetZ" "', argument " "1"" of type '" "OpenBabel::OBFreeGridPoint *""'");  }
11818    arg1 = reinterpret_cast< OpenBabel::OBFreeGridPoint * >(argp1); arg2 = static_cast< double >(REAL(z)[0]); (arg1)->SetZ(arg2);
11819   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFreeGridPoint_SetV(SEXP self,SEXP V)11820 SWIGEXPORT SEXP R_swig_OBFreeGridPoint_SetV ( SEXP self, SEXP V) {
11821   OpenBabel::OBFreeGridPoint *arg1 = (OpenBabel::OBFreeGridPoint *) 0 ; double arg2 ; void *argp1 = 0 ; int res1 = 0 ;
11822   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11823   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFreeGridPoint, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11824     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFreeGridPoint_SetV" "', argument " "1"" of type '" "OpenBabel::OBFreeGridPoint *""'");  }
11825    arg1 = reinterpret_cast< OpenBabel::OBFreeGridPoint * >(argp1); arg2 = static_cast< double >(REAL(V)[0]); (arg1)->SetV(arg2);
11826   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBFreeGrid()11827 SWIGEXPORT SEXP R_swig_new_OBFreeGrid ( ) { OpenBabel::OBFreeGrid *result = 0 ; unsigned int r_nprotect = 0;
11828   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBFreeGrid *)new OpenBabel::OBFreeGrid();
11829   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBFreeGrid, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
11830   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBFreeGrid(SEXP self)11831 SWIGEXPORT SEXP R_swig_delete_OBFreeGrid ( SEXP self) { OpenBabel::OBFreeGrid *arg1 = (OpenBabel::OBFreeGrid *) 0 ;
11832   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11833   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFreeGrid, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
11834     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBFreeGrid" "', argument " "1"" of type '" "OpenBabel::OBFreeGrid *""'");  }
11835    arg1 = reinterpret_cast< OpenBabel::OBFreeGrid * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
11836   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBFreeGrid_NumPoints(SEXP self,SEXP s_swig_copy)11837 SWIGEXPORT SEXP R_swig_OBFreeGrid_NumPoints ( SEXP self, SEXP s_swig_copy) { int result;
11838   OpenBabel::OBFreeGrid *arg1 = (OpenBabel::OBFreeGrid *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
11839   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11840   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFreeGrid, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11841     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFreeGrid_NumPoints" "', argument " "1"" of type '" "OpenBabel::OBFreeGrid *""'");  }
11842    arg1 = reinterpret_cast< OpenBabel::OBFreeGrid * >(argp1); result = (int)(arg1)->NumPoints();
11843   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFreeGrid_AddPoint(SEXP self,SEXP x,SEXP y,SEXP z,SEXP V)11844 SWIGEXPORT SEXP R_swig_OBFreeGrid_AddPoint ( SEXP self, SEXP x, SEXP y, SEXP z, SEXP V) {
11845   OpenBabel::OBFreeGrid *arg1 = (OpenBabel::OBFreeGrid *) 0 ; double arg2 ; double arg3 ; double arg4 ; double arg5 ;
11846   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11847   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFreeGrid, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11848     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFreeGrid_AddPoint" "', argument " "1"" of type '" "OpenBabel::OBFreeGrid *""'");  }
11849    arg1 = reinterpret_cast< OpenBabel::OBFreeGrid * >(argp1); arg2 = static_cast< double >(REAL(x)[0]);
11850   arg3 = static_cast< double >(REAL(y)[0]); arg4 = static_cast< double >(REAL(z)[0]); arg5 = static_cast< double >(REAL(V)[0]);
11851   (arg1)->AddPoint(arg2,arg3,arg4,arg5); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
11852   return r_ans; }
R_swig_OBFreeGrid_BeginPoints(SEXP self,SEXP s_swig_copy)11853 SWIGEXPORT SEXP R_swig_OBFreeGrid_BeginPoints ( SEXP self, SEXP s_swig_copy) {
11854   SwigValueWrapper< std::vector< OpenBabel::OBFreeGridPoint *,std::allocator< OpenBabel::OBFreeGridPoint * > >::iterator > result;
11855   OpenBabel::OBFreeGrid *arg1 = (OpenBabel::OBFreeGrid *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
11856   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11857   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFreeGrid, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11858     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFreeGrid_BeginPoints" "', argument " "1"" of type '" "OpenBabel::OBFreeGrid *""'");  }
11859    arg1 = reinterpret_cast< OpenBabel::OBFreeGrid * >(argp1); result = (arg1)->BeginPoints();
11860   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBFreeGridPointIterator(static_cast< const OpenBabel::OBFreeGridPointIterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBFreeGridPoint_p_std__allocatorT_OpenBabel__OBFreeGridPoint_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
11861   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFreeGrid_EndPoints(SEXP self,SEXP s_swig_copy)11862 SWIGEXPORT SEXP R_swig_OBFreeGrid_EndPoints ( SEXP self, SEXP s_swig_copy) {
11863   SwigValueWrapper< std::vector< OpenBabel::OBFreeGridPoint *,std::allocator< OpenBabel::OBFreeGridPoint * > >::iterator > result;
11864   OpenBabel::OBFreeGrid *arg1 = (OpenBabel::OBFreeGrid *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
11865   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11866   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFreeGrid, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11867     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFreeGrid_EndPoints" "', argument " "1"" of type '" "OpenBabel::OBFreeGrid *""'");  }
11868    arg1 = reinterpret_cast< OpenBabel::OBFreeGrid * >(argp1); result = (arg1)->EndPoints();
11869   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBFreeGridPointIterator(static_cast< const OpenBabel::OBFreeGridPointIterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBFreeGridPoint_p_std__allocatorT_OpenBabel__OBFreeGridPoint_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
11870   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFreeGrid_BeginPoint(SEXP self,SEXP i)11871 SWIGEXPORT SEXP R_swig_OBFreeGrid_BeginPoint ( SEXP self, SEXP i) { OpenBabel::OBFreeGridPoint *result = 0 ;
11872   OpenBabel::OBFreeGrid *arg1 = (OpenBabel::OBFreeGrid *) 0 ; OpenBabel::OBFreeGridPointIterator *arg2 = 0 ; void *argp1 = 0 ;
11873   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
11874   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFreeGrid, 0 |  0 );
11875   if (!SWIG_IsOK(res1)) {
11876     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFreeGrid_BeginPoint" "', argument " "1"" of type '" "OpenBabel::OBFreeGrid *""'");  }
11877    arg1 = reinterpret_cast< OpenBabel::OBFreeGrid * >(argp1);
11878   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBFreeGridPoint_p_std__allocatorT_OpenBabel__OBFreeGridPoint_p_t_t__iterator,  0 );
11879   if (!SWIG_IsOK(res2)) {
11880     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBFreeGrid_BeginPoint" "', argument " "2"" of type '" "OpenBabel::OBFreeGridPointIterator &""'");  }
11881    if (!argp2) {
11882     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBFreeGrid_BeginPoint" "', argument " "2"" of type '" "OpenBabel::OBFreeGridPointIterator &""'"); }
11883    arg2 = reinterpret_cast< OpenBabel::OBFreeGridPointIterator * >(argp2);
11884   result = (OpenBabel::OBFreeGridPoint *)(arg1)->BeginPoint(*arg2);
11885   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBFreeGridPoint, R_SWIG_EXTERNAL |  0 );
11886   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFreeGrid_NextPoint(SEXP self,SEXP i)11887 SWIGEXPORT SEXP R_swig_OBFreeGrid_NextPoint ( SEXP self, SEXP i) { OpenBabel::OBFreeGridPoint *result = 0 ;
11888   OpenBabel::OBFreeGrid *arg1 = (OpenBabel::OBFreeGrid *) 0 ; OpenBabel::OBFreeGridPointIterator *arg2 = 0 ; void *argp1 = 0 ;
11889   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
11890   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFreeGrid, 0 |  0 );
11891   if (!SWIG_IsOK(res1)) {
11892     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFreeGrid_NextPoint" "', argument " "1"" of type '" "OpenBabel::OBFreeGrid *""'");  }
11893    arg1 = reinterpret_cast< OpenBabel::OBFreeGrid * >(argp1);
11894   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBFreeGridPoint_p_std__allocatorT_OpenBabel__OBFreeGridPoint_p_t_t__iterator,  0 );
11895   if (!SWIG_IsOK(res2)) {
11896     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBFreeGrid_NextPoint" "', argument " "2"" of type '" "OpenBabel::OBFreeGridPointIterator &""'");  }
11897    if (!argp2) {
11898     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBFreeGrid_NextPoint" "', argument " "2"" of type '" "OpenBabel::OBFreeGridPointIterator &""'"); }
11899    arg2 = reinterpret_cast< OpenBabel::OBFreeGridPointIterator * >(argp2);
11900   result = (OpenBabel::OBFreeGridPoint *)(arg1)->NextPoint(*arg2);
11901   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBFreeGridPoint, R_SWIG_EXTERNAL |  0 );
11902   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBGridData()11903 SWIGEXPORT SEXP R_swig_new_OBGridData ( ) { OpenBabel::OBGridData *result = 0 ; unsigned int r_nprotect = 0;
11904   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBGridData *)new OpenBabel::OBGridData();
11905   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGridData, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
11906   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBGridData(SEXP self)11907 SWIGEXPORT SEXP R_swig_delete_OBGridData ( SEXP self) { OpenBabel::OBGridData *arg1 = (OpenBabel::OBGridData *) 0 ;
11908   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11909   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBGridData, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
11910     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBGridData" "', argument " "1"" of type '" "OpenBabel::OBGridData *""'");  }
11911    arg1 = reinterpret_cast< OpenBabel::OBGridData * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
11912   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBGridData_GetAxes__SWIG_0(SEXP self,SEXP x,SEXP y,SEXP z)11913 SWIGEXPORT SEXP R_swig_OBGridData_GetAxes__SWIG_0 ( SEXP self, SEXP x, SEXP y, SEXP z) {
11914   OpenBabel::OBGridData *arg1 = (OpenBabel::OBGridData *) 0 ; double *arg2 ; double *arg3 ; double *arg4 ; void *argp1 = 0 ;
11915   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11916   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBGridData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11917     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGridData_GetAxes" "', argument " "1"" of type '" "OpenBabel::OBGridData const *""'");  }
11918    arg1 = reinterpret_cast< OpenBabel::OBGridData * >(argp1); { { int _rswigi; int _rswiglen = LENGTH(x);
11919       arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
11920         arg2[_rswigi] = REAL(x)[_rswigi]; }  }  }  { { int _rswigi; int _rswiglen = LENGTH(y);
11921       arg3 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
11922         arg3[_rswigi] = REAL(y)[_rswigi]; }  }  }  { { int _rswigi; int _rswiglen = LENGTH(z);
11923       arg4 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
11924         arg4[_rswigi] = REAL(z)[_rswigi]; }  }  }  ((OpenBabel::OBGridData const *)arg1)->GetAxes(arg2,arg3,arg4);
11925   r_ans = R_NilValue; free(arg2); free(arg3); free(arg4); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
11926   return r_ans; }
R_swig_OBGridData_GetXAxis(SEXP self,SEXP s_swig_copy)11927 SWIGEXPORT SEXP R_swig_OBGridData_GetXAxis ( SEXP self, SEXP s_swig_copy) { OpenBabel::vector3 result;
11928   OpenBabel::OBGridData *arg1 = (OpenBabel::OBGridData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
11929   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11930   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBGridData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11931     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGridData_GetXAxis" "', argument " "1"" of type '" "OpenBabel::OBGridData const *""'");  }
11932    arg1 = reinterpret_cast< OpenBabel::OBGridData * >(argp1); result = ((OpenBabel::OBGridData const *)arg1)->GetXAxis();
11933   r_ans = SWIG_R_NewPointerObj((new OpenBabel::vector3(static_cast< const OpenBabel::vector3& >(result))), SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_OWN |  0 );
11934   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBGridData_GetYAxis(SEXP self,SEXP s_swig_copy)11935 SWIGEXPORT SEXP R_swig_OBGridData_GetYAxis ( SEXP self, SEXP s_swig_copy) { OpenBabel::vector3 result;
11936   OpenBabel::OBGridData *arg1 = (OpenBabel::OBGridData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
11937   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11938   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBGridData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11939     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGridData_GetYAxis" "', argument " "1"" of type '" "OpenBabel::OBGridData const *""'");  }
11940    arg1 = reinterpret_cast< OpenBabel::OBGridData * >(argp1); result = ((OpenBabel::OBGridData const *)arg1)->GetYAxis();
11941   r_ans = SWIG_R_NewPointerObj((new OpenBabel::vector3(static_cast< const OpenBabel::vector3& >(result))), SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_OWN |  0 );
11942   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBGridData_GetZAxis(SEXP self,SEXP s_swig_copy)11943 SWIGEXPORT SEXP R_swig_OBGridData_GetZAxis ( SEXP self, SEXP s_swig_copy) { OpenBabel::vector3 result;
11944   OpenBabel::OBGridData *arg1 = (OpenBabel::OBGridData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
11945   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11946   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBGridData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11947     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGridData_GetZAxis" "', argument " "1"" of type '" "OpenBabel::OBGridData const *""'");  }
11948    arg1 = reinterpret_cast< OpenBabel::OBGridData * >(argp1); result = ((OpenBabel::OBGridData const *)arg1)->GetZAxis();
11949   r_ans = SWIG_R_NewPointerObj((new OpenBabel::vector3(static_cast< const OpenBabel::vector3& >(result))), SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_OWN |  0 );
11950   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBGridData_GetAxes__SWIG_1(SEXP self,SEXP v1,SEXP v2,SEXP v3)11951 SWIGEXPORT SEXP R_swig_OBGridData_GetAxes__SWIG_1 ( SEXP self, SEXP v1, SEXP v2, SEXP v3) {
11952   OpenBabel::OBGridData *arg1 = (OpenBabel::OBGridData *) 0 ; OpenBabel::vector3 *arg2 = 0 ; OpenBabel::vector3 *arg3 = 0 ;
11953   OpenBabel::vector3 *arg4 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ;
11954   int res3 = 0 ; void *argp4 = 0 ; int res4 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
11955   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBGridData, 0 |  0 );
11956   if (!SWIG_IsOK(res1)) {
11957     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGridData_GetAxes" "', argument " "1"" of type '" "OpenBabel::OBGridData const *""'");  }
11958    arg1 = reinterpret_cast< OpenBabel::OBGridData * >(argp1);
11959   res2 = SWIG_R_ConvertPtr(v1, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
11960     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBGridData_GetAxes" "', argument " "2"" of type '" "OpenBabel::vector3 &""'");  }
11961    if (!argp2) {
11962     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBGridData_GetAxes" "', argument " "2"" of type '" "OpenBabel::vector3 &""'"); }
11963    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2);
11964   res3 = SWIG_R_ConvertPtr(v2, &argp3, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res3)) {
11965     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBGridData_GetAxes" "', argument " "3"" of type '" "OpenBabel::vector3 &""'");  }
11966    if (!argp3) {
11967     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBGridData_GetAxes" "', argument " "3"" of type '" "OpenBabel::vector3 &""'"); }
11968    arg3 = reinterpret_cast< OpenBabel::vector3 * >(argp3);
11969   res4 = SWIG_R_ConvertPtr(v3, &argp4, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res4)) {
11970     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "OBGridData_GetAxes" "', argument " "4"" of type '" "OpenBabel::vector3 &""'");  }
11971    if (!argp4) {
11972     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBGridData_GetAxes" "', argument " "4"" of type '" "OpenBabel::vector3 &""'"); }
11973    arg4 = reinterpret_cast< OpenBabel::vector3 * >(argp4); ((OpenBabel::OBGridData const *)arg1)->GetAxes(*arg2,*arg3,*arg4);
11974   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBGridData_GetNumberOfPoints__SWIG_0(SEXP self,SEXP nx,SEXP ny,SEXP nz)11975 SWIGEXPORT SEXP R_swig_OBGridData_GetNumberOfPoints__SWIG_0 ( SEXP self, SEXP nx, SEXP ny, SEXP nz) {
11976   OpenBabel::OBGridData *arg1 = (OpenBabel::OBGridData *) 0 ; int *arg2 = 0 ; int *arg3 = 0 ; int *arg4 = 0 ; void *argp1 = 0 ;
11977   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; void *argp4 = 0 ; int res4 = 0 ;
11978   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11979   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBGridData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
11980     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGridData_GetNumberOfPoints" "', argument " "1"" of type '" "OpenBabel::OBGridData const *""'");  }
11981    arg1 = reinterpret_cast< OpenBabel::OBGridData * >(argp1); res2 = SWIG_R_ConvertPtr(nx, &argp2, SWIGTYPE_p_int,  0 );
11982   if (!SWIG_IsOK(res2)) {
11983     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBGridData_GetNumberOfPoints" "', argument " "2"" of type '" "int &""'");  }
11984    if (!argp2) {
11985     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBGridData_GetNumberOfPoints" "', argument " "2"" of type '" "int &""'"); }
11986    arg2 = reinterpret_cast< int * >(argp2); res3 = SWIG_R_ConvertPtr(ny, &argp3, SWIGTYPE_p_int,  0 ); if (!SWIG_IsOK(res3)) {
11987     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBGridData_GetNumberOfPoints" "', argument " "3"" of type '" "int &""'");  }
11988    if (!argp3) {
11989     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBGridData_GetNumberOfPoints" "', argument " "3"" of type '" "int &""'"); }
11990    arg3 = reinterpret_cast< int * >(argp3); res4 = SWIG_R_ConvertPtr(nz, &argp4, SWIGTYPE_p_int,  0 ); if (!SWIG_IsOK(res4)) {
11991     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "OBGridData_GetNumberOfPoints" "', argument " "4"" of type '" "int &""'");  }
11992    if (!argp4) {
11993     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBGridData_GetNumberOfPoints" "', argument " "4"" of type '" "int &""'"); }
11994    arg4 = reinterpret_cast< int * >(argp4); ((OpenBabel::OBGridData const *)arg1)->GetNumberOfPoints(*arg2,*arg3,*arg4);
11995   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBGridData_GetNumberOfPoints__SWIG_1(SEXP self,SEXP s_swig_copy)11996 SWIGEXPORT SEXP R_swig_OBGridData_GetNumberOfPoints__SWIG_1 ( SEXP self, SEXP s_swig_copy) { int result;
11997   OpenBabel::OBGridData *arg1 = (OpenBabel::OBGridData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
11998   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
11999   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBGridData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
12000     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGridData_GetNumberOfPoints" "', argument " "1"" of type '" "OpenBabel::OBGridData const *""'");  }
12001    arg1 = reinterpret_cast< OpenBabel::OBGridData * >(argp1);
12002   result = (int)((OpenBabel::OBGridData const *)arg1)->GetNumberOfPoints(); r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax);
12003   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBGridData_GetNumberOfSteps(SEXP self,SEXP steps)12004 SWIGEXPORT SEXP R_swig_OBGridData_GetNumberOfSteps ( SEXP self, SEXP steps) {
12005   OpenBabel::OBGridData *arg1 = (OpenBabel::OBGridData *) 0 ; int *arg2 ; void *argp1 = 0 ; int res1 = 0 ;
12006   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12007   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBGridData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
12008     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGridData_GetNumberOfSteps" "', argument " "1"" of type '" "OpenBabel::OBGridData const *""'");  }
12009    arg1 = reinterpret_cast< OpenBabel::OBGridData * >(argp1); { { int _rswigi; int _rswiglen = LENGTH(steps);
12010       arg2 = static_cast< int * >(calloc(sizeof(int), _rswiglen)); for (_rswigi=0; _rswigi< _rswiglen; _rswigi++) {
12011         arg2[_rswigi] = INTEGER(steps)[_rswigi]; }  }  }  ((OpenBabel::OBGridData const *)arg1)->GetNumberOfSteps(arg2);
12012   r_ans = R_NilValue; free(arg2); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBGridData_GetValues(SEXP self,SEXP s_swig_copy)12013 SWIGEXPORT SEXP R_swig_OBGridData_GetValues ( SEXP self, SEXP s_swig_copy) {
12014   std::vector< double,std::allocator< double > > result; OpenBabel::OBGridData *arg1 = (OpenBabel::OBGridData *) 0 ;
12015   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12016   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBGridData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
12017     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGridData_GetValues" "', argument " "1"" of type '" "OpenBabel::OBGridData const *""'");  }
12018    arg1 = reinterpret_cast< OpenBabel::OBGridData * >(argp1); result = ((OpenBabel::OBGridData const *)arg1)->GetValues();
12019   r_ans = swig::from(static_cast< std::vector<double,std::allocator< double > > >(result)); vmaxset(r_vmax);
12020   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBGridData_GetValue__SWIG_0(SEXP self,SEXP i,SEXP j,SEXP k,SEXP s_swig_copy)12021 SWIGEXPORT SEXP R_swig_OBGridData_GetValue__SWIG_0 ( SEXP self, SEXP i, SEXP j, SEXP k, SEXP s_swig_copy) { double result;
12022   OpenBabel::OBGridData *arg1 = (OpenBabel::OBGridData *) 0 ; int arg2 ; int arg3 ; int arg4 ; void *argp1 = 0 ; int res1 = 0 ;
12023   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12024   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBGridData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
12025     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGridData_GetValue" "', argument " "1"" of type '" "OpenBabel::OBGridData const *""'");  }
12026    arg1 = reinterpret_cast< OpenBabel::OBGridData * >(argp1); arg2 = static_cast< int >(INTEGER(i)[0]);
12027   arg3 = static_cast< int >(INTEGER(j)[0]); arg4 = static_cast< int >(INTEGER(k)[0]);
12028   result = (double)((OpenBabel::OBGridData const *)arg1)->GetValue(arg2,arg3,arg4);
12029   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
12030   return r_ans; }
R_swig_OBGridData_GetValue__SWIG_1(SEXP self,SEXP pos,SEXP s_swig_copy)12031 SWIGEXPORT SEXP R_swig_OBGridData_GetValue__SWIG_1 ( SEXP self, SEXP pos, SEXP s_swig_copy) { double result;
12032   OpenBabel::OBGridData *arg1 = (OpenBabel::OBGridData *) 0 ; OpenBabel::vector3 arg2 ; void *argp1 = 0 ; int res1 = 0 ;
12033   void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12034   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBGridData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
12035     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGridData_GetValue" "', argument " "1"" of type '" "OpenBabel::OBGridData const *""'");  }
12036    arg1 = reinterpret_cast< OpenBabel::OBGridData * >(argp1); {
12037     res2 = SWIG_R_ConvertPtr(pos, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
12038       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBGridData_GetValue" "', argument " "2"" of type '" "OpenBabel::vector3""'");  }
12039        if (!argp2) {
12040       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBGridData_GetValue" "', argument " "2"" of type '" "OpenBabel::vector3""'"); }
12041      else { arg2 = *(reinterpret_cast< OpenBabel::vector3 * >(argp2)); }  }
12042   result = (double)((OpenBabel::OBGridData const *)arg1)->GetValue(arg2);
12043   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
12044   return r_ans; }
R_swig_OBGridData_GetUnit(SEXP self,SEXP s_swig_copy)12045 SWIGEXPORT SEXP R_swig_OBGridData_GetUnit ( SEXP self, SEXP s_swig_copy) { OpenBabel::OBGridData::Unit result;
12046   OpenBabel::OBGridData *arg1 = (OpenBabel::OBGridData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
12047   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12048   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBGridData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
12049     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGridData_GetUnit" "', argument " "1"" of type '" "OpenBabel::OBGridData const *""'");  }
12050    arg1 = reinterpret_cast< OpenBabel::OBGridData * >(argp1);
12051   result = (OpenBabel::OBGridData::Unit)((OpenBabel::OBGridData const *)arg1)->GetUnit();
12052   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBGridData_GetMinValue(SEXP self,SEXP s_swig_copy)12053 SWIGEXPORT SEXP R_swig_OBGridData_GetMinValue ( SEXP self, SEXP s_swig_copy) { double result;
12054   OpenBabel::OBGridData *arg1 = (OpenBabel::OBGridData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
12055   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12056   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBGridData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
12057     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGridData_GetMinValue" "', argument " "1"" of type '" "OpenBabel::OBGridData const *""'");  }
12058    arg1 = reinterpret_cast< OpenBabel::OBGridData * >(argp1);
12059   result = (double)((OpenBabel::OBGridData const *)arg1)->GetMinValue();
12060   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
12061   return r_ans; }
R_swig_OBGridData_GetMaxValue(SEXP self,SEXP s_swig_copy)12062 SWIGEXPORT SEXP R_swig_OBGridData_GetMaxValue ( SEXP self, SEXP s_swig_copy) { double result;
12063   OpenBabel::OBGridData *arg1 = (OpenBabel::OBGridData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
12064   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12065   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBGridData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
12066     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGridData_GetMaxValue" "', argument " "1"" of type '" "OpenBabel::OBGridData const *""'");  }
12067    arg1 = reinterpret_cast< OpenBabel::OBGridData * >(argp1);
12068   result = (double)((OpenBabel::OBGridData const *)arg1)->GetMaxValue();
12069   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
12070   return r_ans; }
R_swig_OBGridData_GetOriginVector__SWIG_0(SEXP self,SEXP s_swig_copy)12071 SWIGEXPORT SEXP R_swig_OBGridData_GetOriginVector__SWIG_0 ( SEXP self, SEXP s_swig_copy) { OpenBabel::vector3 result;
12072   OpenBabel::OBGridData *arg1 = (OpenBabel::OBGridData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
12073   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12074   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBGridData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
12075     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGridData_GetOriginVector" "', argument " "1"" of type '" "OpenBabel::OBGridData const *""'");  }
12076    arg1 = reinterpret_cast< OpenBabel::OBGridData * >(argp1); result = ((OpenBabel::OBGridData const *)arg1)->GetOriginVector();
12077   r_ans = SWIG_R_NewPointerObj((new OpenBabel::vector3(static_cast< const OpenBabel::vector3& >(result))), SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_OWN |  0 );
12078   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBGridData_GetOriginVector__SWIG_1(SEXP self,SEXP o)12079 SWIGEXPORT SEXP R_swig_OBGridData_GetOriginVector__SWIG_1 ( SEXP self, SEXP o) {
12080   OpenBabel::OBGridData *arg1 = (OpenBabel::OBGridData *) 0 ; double *arg2 ; void *argp1 = 0 ; int res1 = 0 ;
12081   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12082   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBGridData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
12083     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGridData_GetOriginVector" "', argument " "1"" of type '" "OpenBabel::OBGridData const *""'");  }
12084    arg1 = reinterpret_cast< OpenBabel::OBGridData * >(argp1); { { int _rswigi; int _rswiglen = LENGTH(o);
12085       arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
12086         arg2[_rswigi] = REAL(o)[_rswigi]; }  }  }  ((OpenBabel::OBGridData const *)arg1)->GetOriginVector(arg2);
12087   r_ans = R_NilValue; free(arg2); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBGridData_GetMaxVector(SEXP self,SEXP s_swig_copy)12088 SWIGEXPORT SEXP R_swig_OBGridData_GetMaxVector ( SEXP self, SEXP s_swig_copy) { OpenBabel::vector3 result;
12089   OpenBabel::OBGridData *arg1 = (OpenBabel::OBGridData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
12090   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12091   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBGridData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
12092     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGridData_GetMaxVector" "', argument " "1"" of type '" "OpenBabel::OBGridData const *""'");  }
12093    arg1 = reinterpret_cast< OpenBabel::OBGridData * >(argp1); result = ((OpenBabel::OBGridData const *)arg1)->GetMaxVector();
12094   r_ans = SWIG_R_NewPointerObj((new OpenBabel::vector3(static_cast< const OpenBabel::vector3& >(result))), SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_OWN |  0 );
12095   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBGridData_GetUnrestricted(SEXP self,SEXP s_swig_copy)12096 SWIGEXPORT SEXP R_swig_OBGridData_GetUnrestricted ( SEXP self, SEXP s_swig_copy) { bool result;
12097   OpenBabel::OBGridData *arg1 = (OpenBabel::OBGridData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
12098   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12099   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBGridData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
12100     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGridData_GetUnrestricted" "', argument " "1"" of type '" "OpenBabel::OBGridData const *""'");  }
12101    arg1 = reinterpret_cast< OpenBabel::OBGridData * >(argp1);
12102   result = (bool)((OpenBabel::OBGridData const *)arg1)->GetUnrestricted(); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
12103   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBGridData_GetNumSymmetries(SEXP self,SEXP s_swig_copy)12104 SWIGEXPORT SEXP R_swig_OBGridData_GetNumSymmetries ( SEXP self, SEXP s_swig_copy) { int result;
12105   OpenBabel::OBGridData *arg1 = (OpenBabel::OBGridData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
12106   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12107   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBGridData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
12108     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGridData_GetNumSymmetries" "', argument " "1"" of type '" "OpenBabel::OBGridData const *""'");  }
12109    arg1 = reinterpret_cast< OpenBabel::OBGridData * >(argp1);
12110   result = (int)((OpenBabel::OBGridData const *)arg1)->GetNumSymmetries(); r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax);
12111   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBGridData_SetNumberOfPoints(SEXP self,SEXP nx,SEXP ny,SEXP nz)12112 SWIGEXPORT SEXP R_swig_OBGridData_SetNumberOfPoints ( SEXP self, SEXP nx, SEXP ny, SEXP nz) {
12113   OpenBabel::OBGridData *arg1 = (OpenBabel::OBGridData *) 0 ; int arg2 ; int arg3 ; int arg4 ; void *argp1 = 0 ; int res1 = 0 ;
12114   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12115   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBGridData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
12116     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGridData_SetNumberOfPoints" "', argument " "1"" of type '" "OpenBabel::OBGridData *""'");  }
12117    arg1 = reinterpret_cast< OpenBabel::OBGridData * >(argp1); arg2 = static_cast< int >(INTEGER(nx)[0]);
12118   arg3 = static_cast< int >(INTEGER(ny)[0]); arg4 = static_cast< int >(INTEGER(nz)[0]);
12119   (arg1)->SetNumberOfPoints(arg2,arg3,arg4); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
12120   return r_ans; }
R_swig_OBGridData_SetLimits__SWIG_0(SEXP self,SEXP origin,SEXP x,SEXP y,SEXP z)12121 SWIGEXPORT SEXP R_swig_OBGridData_SetLimits__SWIG_0 ( SEXP self, SEXP origin, SEXP x, SEXP y, SEXP z) {
12122   OpenBabel::OBGridData *arg1 = (OpenBabel::OBGridData *) 0 ; OpenBabel::vector3 *arg2 = 0 ; OpenBabel::vector3 *arg3 = 0 ;
12123   OpenBabel::vector3 *arg4 = 0 ; OpenBabel::vector3 *arg5 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ;
12124   void *argp3 ; int res3 = 0 ; void *argp4 ; int res4 = 0 ; void *argp5 ; int res5 = 0 ; unsigned int r_nprotect = 0;
12125   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12126   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBGridData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
12127     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGridData_SetLimits" "', argument " "1"" of type '" "OpenBabel::OBGridData *""'");  }
12128    arg1 = reinterpret_cast< OpenBabel::OBGridData * >(argp1);
12129   res2 = SWIG_R_ConvertPtr(origin, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
12130     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBGridData_SetLimits" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'");  }
12131    if (!argp2) {
12132     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBGridData_SetLimits" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'"); }
12133    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2);
12134   res3 = SWIG_R_ConvertPtr(x, &argp3, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res3)) {
12135     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBGridData_SetLimits" "', argument " "3"" of type '" "OpenBabel::vector3 const &""'");  }
12136    if (!argp3) {
12137     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBGridData_SetLimits" "', argument " "3"" of type '" "OpenBabel::vector3 const &""'"); }
12138    arg3 = reinterpret_cast< OpenBabel::vector3 * >(argp3);
12139   res4 = SWIG_R_ConvertPtr(y, &argp4, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res4)) {
12140     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "OBGridData_SetLimits" "', argument " "4"" of type '" "OpenBabel::vector3 const &""'");  }
12141    if (!argp4) {
12142     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBGridData_SetLimits" "', argument " "4"" of type '" "OpenBabel::vector3 const &""'"); }
12143    arg4 = reinterpret_cast< OpenBabel::vector3 * >(argp4);
12144   res5 = SWIG_R_ConvertPtr(z, &argp5, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res5)) {
12145     SWIG_exception_fail(SWIG_ArgError(res5), "in method '" "OBGridData_SetLimits" "', argument " "5"" of type '" "OpenBabel::vector3 const &""'");  }
12146    if (!argp5) {
12147     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBGridData_SetLimits" "', argument " "5"" of type '" "OpenBabel::vector3 const &""'"); }
12148    arg5 = reinterpret_cast< OpenBabel::vector3 * >(argp5);
12149   (arg1)->SetLimits((OpenBabel::vector3 const &)*arg2,(OpenBabel::vector3 const &)*arg3,(OpenBabel::vector3 const &)*arg4,(OpenBabel::vector3 const &)*arg5);
12150   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBGridData_SetLimits__SWIG_1(SEXP self,SEXP origin,SEXP x,SEXP y,SEXP z)12151 SWIGEXPORT SEXP R_swig_OBGridData_SetLimits__SWIG_1 ( SEXP self, SEXP origin, SEXP x, SEXP y, SEXP z) {
12152   OpenBabel::OBGridData *arg1 = (OpenBabel::OBGridData *) 0 ; double *arg2 ; double *arg3 ; double *arg4 ; double *arg5 ;
12153   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12154   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBGridData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
12155     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGridData_SetLimits" "', argument " "1"" of type '" "OpenBabel::OBGridData *""'");  }
12156    arg1 = reinterpret_cast< OpenBabel::OBGridData * >(argp1); { { int _rswigi; int _rswiglen = LENGTH(origin);
12157       arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
12158         arg2[_rswigi] = REAL(origin)[_rswigi]; }  }  }  { { int _rswigi; int _rswiglen = LENGTH(x);
12159       arg3 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
12160         arg3[_rswigi] = REAL(x)[_rswigi]; }  }  }  { { int _rswigi; int _rswiglen = LENGTH(y);
12161       arg4 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
12162         arg4[_rswigi] = REAL(y)[_rswigi]; }  }  }  { { int _rswigi; int _rswiglen = LENGTH(z);
12163       arg5 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
12164         arg5[_rswigi] = REAL(z)[_rswigi]; }  }  }
12165   (arg1)->SetLimits((double const (*))arg2,(double const (*))arg3,(double const (*))arg4,(double const (*))arg5);
12166   r_ans = R_NilValue; free(arg2); free(arg3); free(arg4); free(arg5); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
12167   return r_ans; }
R_swig_OBGridData_SetValue(SEXP self,SEXP i,SEXP j,SEXP k,SEXP val,SEXP s_swig_copy)12168 SWIGEXPORT SEXP R_swig_OBGridData_SetValue ( SEXP self, SEXP i, SEXP j, SEXP k, SEXP val, SEXP s_swig_copy) { bool result;
12169   OpenBabel::OBGridData *arg1 = (OpenBabel::OBGridData *) 0 ; int arg2 ; int arg3 ; int arg4 ; double arg5 ; void *argp1 = 0 ;
12170   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12171   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBGridData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
12172     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGridData_SetValue" "', argument " "1"" of type '" "OpenBabel::OBGridData *""'");  }
12173    arg1 = reinterpret_cast< OpenBabel::OBGridData * >(argp1); arg2 = static_cast< int >(INTEGER(i)[0]);
12174   arg3 = static_cast< int >(INTEGER(j)[0]); arg4 = static_cast< int >(INTEGER(k)[0]);
12175   arg5 = static_cast< double >(REAL(val)[0]); result = (bool)(arg1)->SetValue(arg2,arg3,arg4,arg5);
12176   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBGridData_SetValues(SEXP self,SEXP v)12177 SWIGEXPORT SEXP R_swig_OBGridData_SetValues ( SEXP self, SEXP v) { OpenBabel::OBGridData *arg1 = (OpenBabel::OBGridData *) 0 ;
12178   std::vector< double,std::allocator< double > > *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ; int res2 = SWIG_OLDOBJ ;
12179   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12180   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBGridData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
12181     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGridData_SetValues" "', argument " "1"" of type '" "OpenBabel::OBGridData *""'");  }
12182    arg1 = reinterpret_cast< OpenBabel::OBGridData * >(argp1); {
12183     std::vector<double,std::allocator< double > > *ptr = (std::vector<double,std::allocator< double > > *)0;
12184     res2 = swig::asptr(v, &ptr); if (!SWIG_IsOK(res2)) {
12185       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBGridData_SetValues" "', argument " "2"" of type '" "std::vector< double,std::allocator< double > > const &""'"); }
12186      if (!ptr) {
12187       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBGridData_SetValues" "', argument " "2"" of type '" "std::vector< double,std::allocator< double > > const &""'"); }
12188      arg2 = ptr; }  (arg1)->SetValues((std::vector< double,std::allocator< double > > const &)*arg2); r_ans = R_NilValue;
12189   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBGridData_SetUnit(SEXP self,SEXP u)12190 SWIGEXPORT SEXP R_swig_OBGridData_SetUnit ( SEXP self, SEXP u) { OpenBabel::OBGridData *arg1 = (OpenBabel::OBGridData *) 0 ;
12191   OpenBabel::OBGridData::Unit arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0;
12192   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12193   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBGridData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
12194     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGridData_SetUnit" "', argument " "1"" of type '" "OpenBabel::OBGridData *""'");  }
12195    arg1 = reinterpret_cast< OpenBabel::OBGridData * >(argp1); ecode2 = SWIG_AsVal_int(u, &val2); if (!SWIG_IsOK(ecode2)) {
12196     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBGridData_SetUnit" "', argument " "2"" of type '" "OpenBabel::OBGridData::Unit""'"); }
12197     arg2 = static_cast< OpenBabel::OBGridData::Unit >(val2); (arg1)->SetUnit(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
12198   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBGridData_SetUnrestricted(SEXP self,SEXP u)12199 SWIGEXPORT SEXP R_swig_OBGridData_SetUnrestricted ( SEXP self, SEXP u) {
12200   OpenBabel::OBGridData *arg1 = (OpenBabel::OBGridData *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
12201   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12202   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBGridData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
12203     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGridData_SetUnrestricted" "', argument " "1"" of type '" "OpenBabel::OBGridData *""'");  }
12204    arg1 = reinterpret_cast< OpenBabel::OBGridData * >(argp1); arg2 = LOGICAL(u)[0] ? true : false;
12205   (arg1)->SetUnrestricted(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBGridData_SetNumSymmetries(SEXP self,SEXP s)12206 SWIGEXPORT SEXP R_swig_OBGridData_SetNumSymmetries ( SEXP self, SEXP s) {
12207   OpenBabel::OBGridData *arg1 = (OpenBabel::OBGridData *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
12208   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12209   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBGridData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
12210     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGridData_SetNumSymmetries" "', argument " "1"" of type '" "OpenBabel::OBGridData *""'");  }
12211    arg1 = reinterpret_cast< OpenBabel::OBGridData * >(argp1); arg2 = static_cast< int >(INTEGER(s)[0]);
12212   (arg1)->SetNumSymmetries(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBChainsParser()12213 SWIGEXPORT SEXP R_swig_new_OBChainsParser ( ) { OpenBabel::OBChainsParser *result = 0 ; unsigned int r_nprotect = 0;
12214   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBChainsParser *)new OpenBabel::OBChainsParser();
12215   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBChainsParser, R_SWIG_OWNER |  0 );
12216   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBChainsParser(SEXP self)12217 SWIGEXPORT SEXP R_swig_delete_OBChainsParser ( SEXP self) { OpenBabel::OBChainsParser *arg1 = (OpenBabel::OBChainsParser *) 0 ;
12218   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12219   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBChainsParser, SWIG_POINTER_DISOWN |  0 );
12220   if (!SWIG_IsOK(res1)) {
12221     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBChainsParser" "', argument " "1"" of type '" "OpenBabel::OBChainsParser *""'");  }
12222    arg1 = reinterpret_cast< OpenBabel::OBChainsParser * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
12223   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBChainsParser_PerceiveChains__SWIG_0(SEXP self,SEXP mol,SEXP nukeSingleResidue,SEXP s_swig_copy)12224 SWIGEXPORT SEXP R_swig_OBChainsParser_PerceiveChains__SWIG_0 ( SEXP self, SEXP mol, SEXP nukeSingleResidue, SEXP s_swig_copy) {
12225   bool result; OpenBabel::OBChainsParser *arg1 = (OpenBabel::OBChainsParser *) 0 ; OpenBabel::OBMol *arg2 = 0 ; bool arg3 ;
12226   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
12227   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBChainsParser, 0 |  0 );
12228   if (!SWIG_IsOK(res1)) {
12229     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBChainsParser_PerceiveChains" "', argument " "1"" of type '" "OpenBabel::OBChainsParser *""'");  }
12230    arg1 = reinterpret_cast< OpenBabel::OBChainsParser * >(argp1);
12231   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
12232     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBChainsParser_PerceiveChains" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
12233    if (!argp2) {
12234     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBChainsParser_PerceiveChains" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
12235    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); arg3 = LOGICAL(nukeSingleResidue)[0] ? true : false;
12236   result = (bool)(arg1)->PerceiveChains(*arg2,arg3); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
12237   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBChainsParser_PerceiveChains__SWIG_1(SEXP self,SEXP mol,SEXP s_swig_copy)12238 SWIGEXPORT SEXP R_swig_OBChainsParser_PerceiveChains__SWIG_1 ( SEXP self, SEXP mol, SEXP s_swig_copy) { bool result;
12239   OpenBabel::OBChainsParser *arg1 = (OpenBabel::OBChainsParser *) 0 ; OpenBabel::OBMol *arg2 = 0 ; void *argp1 = 0 ;
12240   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
12241   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBChainsParser, 0 |  0 );
12242   if (!SWIG_IsOK(res1)) {
12243     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBChainsParser_PerceiveChains" "', argument " "1"" of type '" "OpenBabel::OBChainsParser *""'");  }
12244    arg1 = reinterpret_cast< OpenBabel::OBChainsParser * >(argp1);
12245   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
12246     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBChainsParser_PerceiveChains" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
12247    if (!argp2) {
12248     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBChainsParser_PerceiveChains" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
12249    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); result = (bool)(arg1)->PerceiveChains(*arg2);
12250   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBAtomTyper()12251 SWIGEXPORT SEXP R_swig_new_OBAtomTyper ( ) { OpenBabel::OBAtomTyper *result = 0 ; unsigned int r_nprotect = 0;
12252   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBAtomTyper *)new OpenBabel::OBAtomTyper();
12253   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtomTyper, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
12254   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBAtomTyper(SEXP self)12255 SWIGEXPORT SEXP R_swig_delete_OBAtomTyper ( SEXP self) { OpenBabel::OBAtomTyper *arg1 = (OpenBabel::OBAtomTyper *) 0 ;
12256   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12257   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomTyper, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
12258     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBAtomTyper" "', argument " "1"" of type '" "OpenBabel::OBAtomTyper *""'");  }
12259    arg1 = reinterpret_cast< OpenBabel::OBAtomTyper * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
12260   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBAtomTyper_AssignHyb(SEXP self,SEXP s_arg2)12261 SWIGEXPORT SEXP R_swig_OBAtomTyper_AssignHyb ( SEXP self, SEXP s_arg2) {
12262   OpenBabel::OBAtomTyper *arg1 = (OpenBabel::OBAtomTyper *) 0 ; OpenBabel::OBMol *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
12263   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12264   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomTyper, 0 |  0 ); if (!SWIG_IsOK(res1)) {
12265     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomTyper_AssignHyb" "', argument " "1"" of type '" "OpenBabel::OBAtomTyper *""'");  }
12266    arg1 = reinterpret_cast< OpenBabel::OBAtomTyper * >(argp1);
12267   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
12268     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomTyper_AssignHyb" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
12269    if (!argp2) {
12270     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtomTyper_AssignHyb" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
12271    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); (arg1)->AssignHyb(*arg2); r_ans = R_NilValue; vmaxset(r_vmax);
12272   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomTyper_AssignTypes(SEXP self,SEXP s_arg2)12273 SWIGEXPORT SEXP R_swig_OBAtomTyper_AssignTypes ( SEXP self, SEXP s_arg2) {
12274   OpenBabel::OBAtomTyper *arg1 = (OpenBabel::OBAtomTyper *) 0 ; OpenBabel::OBMol *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
12275   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12276   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomTyper, 0 |  0 ); if (!SWIG_IsOK(res1)) {
12277     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomTyper_AssignTypes" "', argument " "1"" of type '" "OpenBabel::OBAtomTyper *""'");  }
12278    arg1 = reinterpret_cast< OpenBabel::OBAtomTyper * >(argp1);
12279   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
12280     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomTyper_AssignTypes" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
12281    if (!argp2) {
12282     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtomTyper_AssignTypes" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
12283    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); (arg1)->AssignTypes(*arg2); r_ans = R_NilValue; vmaxset(r_vmax);
12284   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomTyper_AssignImplicitValence__SWIG_0(SEXP self,SEXP s_arg2,SEXP CanBeLessThanActual)12285 SWIGEXPORT SEXP R_swig_OBAtomTyper_AssignImplicitValence__SWIG_0 ( SEXP self, SEXP s_arg2, SEXP CanBeLessThanActual) {
12286   OpenBabel::OBAtomTyper *arg1 = (OpenBabel::OBAtomTyper *) 0 ; OpenBabel::OBMol *arg2 = 0 ; bool arg3 ; void *argp1 = 0 ;
12287   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
12288   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomTyper, 0 |  0 );
12289   if (!SWIG_IsOK(res1)) {
12290     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomTyper_AssignImplicitValence" "', argument " "1"" of type '" "OpenBabel::OBAtomTyper *""'");  }
12291    arg1 = reinterpret_cast< OpenBabel::OBAtomTyper * >(argp1);
12292   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
12293     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomTyper_AssignImplicitValence" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
12294    if (!argp2) {
12295     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtomTyper_AssignImplicitValence" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
12296    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); arg3 = LOGICAL(CanBeLessThanActual)[0] ? true : false;
12297   (arg1)->AssignImplicitValence(*arg2,arg3); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
12298   return r_ans; }
R_swig_OBAtomTyper_AssignImplicitValence__SWIG_1(SEXP self,SEXP s_arg2)12299 SWIGEXPORT SEXP R_swig_OBAtomTyper_AssignImplicitValence__SWIG_1 ( SEXP self, SEXP s_arg2) {
12300   OpenBabel::OBAtomTyper *arg1 = (OpenBabel::OBAtomTyper *) 0 ; OpenBabel::OBMol *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
12301   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12302   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomTyper, 0 |  0 ); if (!SWIG_IsOK(res1)) {
12303     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomTyper_AssignImplicitValence" "', argument " "1"" of type '" "OpenBabel::OBAtomTyper *""'");  }
12304    arg1 = reinterpret_cast< OpenBabel::OBAtomTyper * >(argp1);
12305   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
12306     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomTyper_AssignImplicitValence" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
12307    if (!argp2) {
12308     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtomTyper_AssignImplicitValence" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
12309    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); (arg1)->AssignImplicitValence(*arg2); r_ans = R_NilValue;
12310   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomTyper_CorrectAromaticNitrogens(SEXP self,SEXP s_arg2)12311 SWIGEXPORT SEXP R_swig_OBAtomTyper_CorrectAromaticNitrogens ( SEXP self, SEXP s_arg2) {
12312   OpenBabel::OBAtomTyper *arg1 = (OpenBabel::OBAtomTyper *) 0 ; OpenBabel::OBMol *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
12313   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12314   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomTyper, 0 |  0 ); if (!SWIG_IsOK(res1)) {
12315     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomTyper_CorrectAromaticNitrogens" "', argument " "1"" of type '" "OpenBabel::OBAtomTyper *""'");  }
12316    arg1 = reinterpret_cast< OpenBabel::OBAtomTyper * >(argp1);
12317   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
12318     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomTyper_CorrectAromaticNitrogens" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
12319    if (!argp2) {
12320     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtomTyper_CorrectAromaticNitrogens" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
12321    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); (arg1)->CorrectAromaticNitrogens(*arg2); r_ans = R_NilValue;
12322   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBAromaticTyper()12323 SWIGEXPORT SEXP R_swig_new_OBAromaticTyper ( ) { OpenBabel::OBAromaticTyper *result = 0 ; unsigned int r_nprotect = 0;
12324   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12325   result = (OpenBabel::OBAromaticTyper *)new OpenBabel::OBAromaticTyper();
12326   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAromaticTyper, R_SWIG_OWNER |  0 );
12327   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBAromaticTyper(SEXP self)12328 SWIGEXPORT SEXP R_swig_delete_OBAromaticTyper ( SEXP self) {
12329   OpenBabel::OBAromaticTyper *arg1 = (OpenBabel::OBAromaticTyper *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
12330   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12331   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAromaticTyper, SWIG_POINTER_DISOWN |  0 );
12332   if (!SWIG_IsOK(res1)) {
12333     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBAromaticTyper" "', argument " "1"" of type '" "OpenBabel::OBAromaticTyper *""'");  }
12334    arg1 = reinterpret_cast< OpenBabel::OBAromaticTyper * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
12335   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBAromaticTyper_AssignAromaticFlags(SEXP self,SEXP s_arg2)12336 SWIGEXPORT SEXP R_swig_OBAromaticTyper_AssignAromaticFlags ( SEXP self, SEXP s_arg2) {
12337   OpenBabel::OBAromaticTyper *arg1 = (OpenBabel::OBAromaticTyper *) 0 ; OpenBabel::OBMol *arg2 = 0 ; void *argp1 = 0 ;
12338   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
12339   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAromaticTyper, 0 |  0 );
12340   if (!SWIG_IsOK(res1)) {
12341     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAromaticTyper_AssignAromaticFlags" "', argument " "1"" of type '" "OpenBabel::OBAromaticTyper *""'");  }
12342    arg1 = reinterpret_cast< OpenBabel::OBAromaticTyper * >(argp1);
12343   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
12344     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAromaticTyper_AssignAromaticFlags" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
12345    if (!argp2) {
12346     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAromaticTyper_AssignAromaticFlags" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
12347    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); (arg1)->AssignAromaticFlags(*arg2); r_ans = R_NilValue;
12348   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAromaticTyper_PropagatePotentialAromatic(SEXP self,SEXP s_arg2)12349 SWIGEXPORT SEXP R_swig_OBAromaticTyper_PropagatePotentialAromatic ( SEXP self, SEXP s_arg2) {
12350   OpenBabel::OBAromaticTyper *arg1 = (OpenBabel::OBAromaticTyper *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
12351   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
12352   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAromaticTyper, 0 |  0 );
12353   if (!SWIG_IsOK(res1)) {
12354     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAromaticTyper_PropagatePotentialAromatic" "', argument " "1"" of type '" "OpenBabel::OBAromaticTyper *""'");  }
12355    arg1 = reinterpret_cast< OpenBabel::OBAromaticTyper * >(argp1);
12356   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
12357     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAromaticTyper_PropagatePotentialAromatic" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
12358    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); (arg1)->PropagatePotentialAromatic(arg2); r_ans = R_NilValue;
12359   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAromaticTyper_SelectRootAtoms__SWIG_0(SEXP self,SEXP s_arg2,SEXP avoidInnerRingAtoms)12360 SWIGEXPORT SEXP R_swig_OBAromaticTyper_SelectRootAtoms__SWIG_0 ( SEXP self, SEXP s_arg2, SEXP avoidInnerRingAtoms) {
12361   OpenBabel::OBAromaticTyper *arg1 = (OpenBabel::OBAromaticTyper *) 0 ; OpenBabel::OBMol *arg2 = 0 ; bool arg3 ;
12362   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
12363   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAromaticTyper, 0 |  0 );
12364   if (!SWIG_IsOK(res1)) {
12365     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAromaticTyper_SelectRootAtoms" "', argument " "1"" of type '" "OpenBabel::OBAromaticTyper *""'");  }
12366    arg1 = reinterpret_cast< OpenBabel::OBAromaticTyper * >(argp1);
12367   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
12368     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAromaticTyper_SelectRootAtoms" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
12369    if (!argp2) {
12370     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAromaticTyper_SelectRootAtoms" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
12371    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); arg3 = LOGICAL(avoidInnerRingAtoms)[0] ? true : false;
12372   (arg1)->SelectRootAtoms(*arg2,arg3); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
12373   return r_ans; }
R_swig_OBAromaticTyper_SelectRootAtoms__SWIG_1(SEXP self,SEXP s_arg2)12374 SWIGEXPORT SEXP R_swig_OBAromaticTyper_SelectRootAtoms__SWIG_1 ( SEXP self, SEXP s_arg2) {
12375   OpenBabel::OBAromaticTyper *arg1 = (OpenBabel::OBAromaticTyper *) 0 ; OpenBabel::OBMol *arg2 = 0 ; void *argp1 = 0 ;
12376   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
12377   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAromaticTyper, 0 |  0 );
12378   if (!SWIG_IsOK(res1)) {
12379     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAromaticTyper_SelectRootAtoms" "', argument " "1"" of type '" "OpenBabel::OBAromaticTyper *""'");  }
12380    arg1 = reinterpret_cast< OpenBabel::OBAromaticTyper * >(argp1);
12381   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
12382     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAromaticTyper_SelectRootAtoms" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
12383    if (!argp2) {
12384     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAromaticTyper_SelectRootAtoms" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
12385    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); (arg1)->SelectRootAtoms(*arg2); r_ans = R_NilValue; vmaxset(r_vmax);
12386   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAromaticTyper_ExcludeSmallRing(SEXP self,SEXP s_arg2)12387 SWIGEXPORT SEXP R_swig_OBAromaticTyper_ExcludeSmallRing ( SEXP self, SEXP s_arg2) {
12388   OpenBabel::OBAromaticTyper *arg1 = (OpenBabel::OBAromaticTyper *) 0 ; OpenBabel::OBMol *arg2 = 0 ; void *argp1 = 0 ;
12389   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
12390   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAromaticTyper, 0 |  0 );
12391   if (!SWIG_IsOK(res1)) {
12392     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAromaticTyper_ExcludeSmallRing" "', argument " "1"" of type '" "OpenBabel::OBAromaticTyper *""'");  }
12393    arg1 = reinterpret_cast< OpenBabel::OBAromaticTyper * >(argp1);
12394   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
12395     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAromaticTyper_ExcludeSmallRing" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
12396    if (!argp2) {
12397     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAromaticTyper_ExcludeSmallRing" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
12398    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); (arg1)->ExcludeSmallRing(*arg2); r_ans = R_NilValue; vmaxset(r_vmax);
12399   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAromaticTyper_CheckAromaticity(SEXP self,SEXP root,SEXP searchDepth)12400 SWIGEXPORT SEXP R_swig_OBAromaticTyper_CheckAromaticity ( SEXP self, SEXP root, SEXP searchDepth) {
12401   OpenBabel::OBAromaticTyper *arg1 = (OpenBabel::OBAromaticTyper *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
12402   int arg3 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0;
12403   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12404   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAromaticTyper, 0 |  0 ); if (!SWIG_IsOK(res1)) {
12405     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAromaticTyper_CheckAromaticity" "', argument " "1"" of type '" "OpenBabel::OBAromaticTyper *""'");  }
12406    arg1 = reinterpret_cast< OpenBabel::OBAromaticTyper * >(argp1);
12407   res2 = SWIG_R_ConvertPtr(root, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
12408     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAromaticTyper_CheckAromaticity" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
12409    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); arg3 = static_cast< int >(INTEGER(searchDepth)[0]);
12410   (arg1)->CheckAromaticity(arg2,arg3); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
12411   return r_ans; }
12412 SWIGEXPORT SEXP
R_swig_OBAromaticTyper_TraverseCycle(SEXP self,SEXP root,SEXP atom,SEXP prev,SEXP er,SEXP depth,SEXP s_swig_copy)12413 R_swig_OBAromaticTyper_TraverseCycle ( SEXP self, SEXP root, SEXP atom, SEXP prev, SEXP er, SEXP depth, SEXP s_swig_copy) {
12414   bool result; OpenBabel::OBAromaticTyper *arg1 = (OpenBabel::OBAromaticTyper *) 0 ;
12415   OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; OpenBabel::OBAtom *arg3 = (OpenBabel::OBAtom *) 0 ;
12416   OpenBabel::OBBond *arg4 = (OpenBabel::OBBond *) 0 ; std::pair< int,int > *arg5 = 0 ; int arg6 ; void *argp1 = 0 ;
12417   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; void *argp4 = 0 ; int res4 = 0 ;
12418   void *argp5 = 0 ; int res5 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12419   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAromaticTyper, 0 |  0 ); if (!SWIG_IsOK(res1)) {
12420     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAromaticTyper_TraverseCycle" "', argument " "1"" of type '" "OpenBabel::OBAromaticTyper *""'");  }
12421    arg1 = reinterpret_cast< OpenBabel::OBAromaticTyper * >(argp1);
12422   res2 = SWIG_R_ConvertPtr(root, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
12423     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAromaticTyper_TraverseCycle" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
12424    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2);
12425   res3 = SWIG_R_ConvertPtr(atom, &argp3, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res3)) {
12426     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBAromaticTyper_TraverseCycle" "', argument " "3"" of type '" "OpenBabel::OBAtom *""'");  }
12427    arg3 = reinterpret_cast< OpenBabel::OBAtom * >(argp3);
12428   res4 = SWIG_R_ConvertPtr(prev, &argp4, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res4)) {
12429     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "OBAromaticTyper_TraverseCycle" "', argument " "4"" of type '" "OpenBabel::OBBond *""'");  }
12430    arg4 = reinterpret_cast< OpenBabel::OBBond * >(argp4);
12431   res5 = SWIG_R_ConvertPtr(er, &argp5, SWIGTYPE_p_std__pairT_int_int_t,  0 ); if (!SWIG_IsOK(res5)) {
12432     SWIG_exception_fail(SWIG_ArgError(res5), "in method '" "OBAromaticTyper_TraverseCycle" "', argument " "5"" of type '" "std::pair< int,int > &""'");  }
12433    if (!argp5) {
12434     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAromaticTyper_TraverseCycle" "', argument " "5"" of type '" "std::pair< int,int > &""'"); }
12435    arg5 = reinterpret_cast< std::pair< int,int > * >(argp5); arg6 = static_cast< int >(INTEGER(depth)[0]);
12436   result = (bool)(arg1)->TraverseCycle(arg2,arg3,arg4,*arg5,arg6); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
12437   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBRingTyper()12438 SWIGEXPORT SEXP R_swig_new_OBRingTyper ( ) { OpenBabel::OBRingTyper *result = 0 ; unsigned int r_nprotect = 0;
12439   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBRingTyper *)new OpenBabel::OBRingTyper();
12440   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBRingTyper, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
12441   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBRingTyper(SEXP self)12442 SWIGEXPORT SEXP R_swig_delete_OBRingTyper ( SEXP self) { OpenBabel::OBRingTyper *arg1 = (OpenBabel::OBRingTyper *) 0 ;
12443   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12444   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRingTyper, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
12445     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBRingTyper" "', argument " "1"" of type '" "OpenBabel::OBRingTyper *""'");  }
12446    arg1 = reinterpret_cast< OpenBabel::OBRingTyper * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
12447   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBRingTyper_AssignTypes(SEXP self,SEXP s_arg2)12448 SWIGEXPORT SEXP R_swig_OBRingTyper_AssignTypes ( SEXP self, SEXP s_arg2) {
12449   OpenBabel::OBRingTyper *arg1 = (OpenBabel::OBRingTyper *) 0 ; OpenBabel::OBMol *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
12450   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12451   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRingTyper, 0 |  0 ); if (!SWIG_IsOK(res1)) {
12452     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRingTyper_AssignTypes" "', argument " "1"" of type '" "OpenBabel::OBRingTyper *""'");  }
12453    arg1 = reinterpret_cast< OpenBabel::OBRingTyper * >(argp1);
12454   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
12455     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRingTyper_AssignTypes" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
12456    if (!argp2) {
12457     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRingTyper_AssignTypes" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
12458    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); (arg1)->AssignTypes(*arg2); r_ans = R_NilValue; vmaxset(r_vmax);
12459   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_dummy()12460 SWIGEXPORT SEXP R_swig_new_dummy ( ) { std::binary_function< char const *,char const *,bool > *result = 0 ;
12461   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12462   result = (std::binary_function< char const *,char const *,bool > *)new std::binary_function< char const *,char const *,bool >();
12463   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__binary_functionT_char_const_p_char_const_p_bool_t, R_SWIG_OWNER |  0 );
12464   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_dummy(SEXP self)12465 SWIGEXPORT SEXP R_swig_delete_dummy ( SEXP self) {
12466   std::binary_function< char const *,char const *,bool > *arg1 = (std::binary_function< char const *,char const *,bool > *) 0 ;
12467   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12468   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__binary_functionT_char_const_p_char_const_p_bool_t, SWIG_POINTER_DISOWN |  0 );
12469   if (!SWIG_IsOK(res1)) {
12470     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_dummy" "', argument " "1"" of type '" "std::binary_function< char const *,char const *,bool > *""'");  }
12471    arg1 = reinterpret_cast< std::binary_function< char const *,char const *,bool > * >(argp1); delete arg1; r_ans = R_NilValue;
12472   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_new_CharPtrLess()12473 SWIGEXPORT SEXP R_swig_new_CharPtrLess ( ) { OpenBabel::CharPtrLess *result = 0 ; unsigned int r_nprotect = 0;
12474   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::CharPtrLess *)new OpenBabel::CharPtrLess();
12475   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__CharPtrLess, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
12476   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_CharPtrLess(SEXP self)12477 SWIGEXPORT SEXP R_swig_delete_CharPtrLess ( SEXP self) { OpenBabel::CharPtrLess *arg1 = (OpenBabel::CharPtrLess *) 0 ;
12478   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12479   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__CharPtrLess, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
12480     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_CharPtrLess" "', argument " "1"" of type '" "OpenBabel::CharPtrLess *""'");  }
12481    arg1 = reinterpret_cast< OpenBabel::CharPtrLess * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
12482   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_delete_OBPlugin(SEXP self)12483 SWIGEXPORT SEXP R_swig_delete_OBPlugin ( SEXP self) { OpenBabel::OBPlugin *arg1 = (OpenBabel::OBPlugin *) 0 ; void *argp1 = 0 ;
12484   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12485   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBPlugin, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
12486     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBPlugin" "', argument " "1"" of type '" "OpenBabel::OBPlugin *""'");  }
12487    arg1 = reinterpret_cast< OpenBabel::OBPlugin * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
12488   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBPlugin_Description(SEXP self)12489 SWIGEXPORT SEXP R_swig_OBPlugin_Description ( SEXP self) { char *result = 0 ;
12490   OpenBabel::OBPlugin *arg1 = (OpenBabel::OBPlugin *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
12491   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12492   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBPlugin, 0 |  0 ); if (!SWIG_IsOK(res1)) {
12493     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBPlugin_Description" "', argument " "1"" of type '" "OpenBabel::OBPlugin *""'");  }
12494    arg1 = reinterpret_cast< OpenBabel::OBPlugin * >(argp1); result = (char *)(arg1)->Description();
12495   r_ans = SWIG_FromCharPtr((const char *)result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBPlugin_TypeID(SEXP self)12496 SWIGEXPORT SEXP R_swig_OBPlugin_TypeID ( SEXP self) { char *result = 0 ; OpenBabel::OBPlugin *arg1 = (OpenBabel::OBPlugin *) 0 ;
12497   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12498   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBPlugin, 0 |  0 ); if (!SWIG_IsOK(res1)) {
12499     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBPlugin_TypeID" "', argument " "1"" of type '" "OpenBabel::OBPlugin *""'");  }
12500    arg1 = reinterpret_cast< OpenBabel::OBPlugin * >(argp1); result = (char *)(arg1)->TypeID();
12501   r_ans = SWIG_FromCharPtr((const char *)result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBPlugin_Display__SWIG_0(SEXP self,SEXP txt,SEXP param,SEXP ID,SEXP s_swig_copy)12502 SWIGEXPORT SEXP R_swig_OBPlugin_Display__SWIG_0 ( SEXP self, SEXP txt, SEXP param, SEXP ID, SEXP s_swig_copy) { bool result;
12503   OpenBabel::OBPlugin *arg1 = (OpenBabel::OBPlugin *) 0 ; std::string *arg2 = 0 ; char *arg3 = (char *) 0 ;
12504   char *arg4 = (char *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; int res3 ; char *buf3 = 0 ;
12505   int alloc3 = 0 ; int res4 ; char *buf4 = 0 ; int alloc4 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
12506   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBPlugin, 0 |  0 );
12507   if (!SWIG_IsOK(res1)) {
12508     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBPlugin_Display" "', argument " "1"" of type '" "OpenBabel::OBPlugin *""'");  }
12509    arg1 = reinterpret_cast< OpenBabel::OBPlugin * >(argp1); res2 = SWIG_R_ConvertPtr(txt, &argp2, SWIGTYPE_p_std__string,  0 );
12510   if (!SWIG_IsOK(res2)) {
12511     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBPlugin_Display" "', argument " "2"" of type '" "std::string &""'");  }
12512    if (!argp2) {
12513     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBPlugin_Display" "', argument " "2"" of type '" "std::string &""'"); }
12514    arg2 = reinterpret_cast< std::string * >(argp2); res3 = SWIG_AsCharPtrAndSize(param, &buf3, NULL, &alloc3);
12515   if (!SWIG_IsOK(res3)) {
12516     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBPlugin_Display" "', argument " "3"" of type '" "char const *""'"); }
12517    arg3 = reinterpret_cast< char * >(buf3); res4 = SWIG_AsCharPtrAndSize(ID, &buf4, NULL, &alloc4); if (!SWIG_IsOK(res4)) {
12518     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "OBPlugin_Display" "', argument " "4"" of type '" "char const *""'"); }
12519    arg4 = reinterpret_cast< char * >(buf4); result = (bool)(arg1)->Display(*arg2,(char const *)arg3,(char const *)arg4);
12520   r_ans = Rf_ScalarLogical(result); if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4;
12521   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBPlugin_Display__SWIG_1(SEXP self,SEXP txt,SEXP param,SEXP s_swig_copy)12522 SWIGEXPORT SEXP R_swig_OBPlugin_Display__SWIG_1 ( SEXP self, SEXP txt, SEXP param, SEXP s_swig_copy) { bool result;
12523   OpenBabel::OBPlugin *arg1 = (OpenBabel::OBPlugin *) 0 ; std::string *arg2 = 0 ; char *arg3 = (char *) 0 ; void *argp1 = 0 ;
12524   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; int res3 ; char *buf3 = 0 ; int alloc3 = 0 ; unsigned int r_nprotect = 0;
12525   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12526   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBPlugin, 0 |  0 ); if (!SWIG_IsOK(res1)) {
12527     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBPlugin_Display" "', argument " "1"" of type '" "OpenBabel::OBPlugin *""'");  }
12528    arg1 = reinterpret_cast< OpenBabel::OBPlugin * >(argp1); res2 = SWIG_R_ConvertPtr(txt, &argp2, SWIGTYPE_p_std__string,  0 );
12529   if (!SWIG_IsOK(res2)) {
12530     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBPlugin_Display" "', argument " "2"" of type '" "std::string &""'");  }
12531    if (!argp2) {
12532     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBPlugin_Display" "', argument " "2"" of type '" "std::string &""'"); }
12533    arg2 = reinterpret_cast< std::string * >(argp2); res3 = SWIG_AsCharPtrAndSize(param, &buf3, NULL, &alloc3);
12534   if (!SWIG_IsOK(res3)) {
12535     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBPlugin_Display" "', argument " "3"" of type '" "char const *""'"); }
12536    arg3 = reinterpret_cast< char * >(buf3); result = (bool)(arg1)->Display(*arg2,(char const *)arg3);
12537   r_ans = Rf_ScalarLogical(result); if (alloc3 == SWIG_NEWOBJ) delete[] buf3; vmaxset(r_vmax);
12538   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBPlugin_MakeInstance(SEXP self,SEXP s_arg2)12539 SWIGEXPORT SEXP R_swig_OBPlugin_MakeInstance ( SEXP self, SEXP s_arg2) { OpenBabel::OBPlugin *result = 0 ;
12540   OpenBabel::OBPlugin *arg1 = (OpenBabel::OBPlugin *) 0 ; std::vector< std::string,std::allocator< std::string > > *arg2 = 0 ;
12541   void *argp1 = 0 ; int res1 = 0 ; int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
12542   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBPlugin, 0 |  0 );
12543   if (!SWIG_IsOK(res1)) {
12544     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBPlugin_MakeInstance" "', argument " "1"" of type '" "OpenBabel::OBPlugin *""'");  }
12545    arg1 = reinterpret_cast< OpenBabel::OBPlugin * >(argp1); {
12546     std::vector<std::string,std::allocator< std::string > > *ptr = (std::vector<std::string,std::allocator< std::string > > *)0;
12547     res2 = swig::asptr(s_arg2, &ptr); if (!SWIG_IsOK(res2)) {
12548       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBPlugin_MakeInstance" "', argument " "2"" of type '" "std::vector< std::string,std::allocator< std::string > > const &""'"); }
12549      if (!ptr) {
12550       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBPlugin_MakeInstance" "', argument " "2"" of type '" "std::vector< std::string,std::allocator< std::string > > const &""'"); }
12551      arg2 = ptr; }
12552   result = (OpenBabel::OBPlugin *)(arg1)->MakeInstance((std::vector< std::string,std::allocator< std::string > > const &)*arg2);
12553   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBPlugin, R_SWIG_EXTERNAL |  0 );
12554   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBPlugin_Init(SEXP self)12555 SWIGEXPORT SEXP R_swig_OBPlugin_Init ( SEXP self) { OpenBabel::OBPlugin *arg1 = (OpenBabel::OBPlugin *) 0 ; void *argp1 = 0 ;
12556   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12557   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBPlugin, 0 |  0 ); if (!SWIG_IsOK(res1)) {
12558     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBPlugin_Init" "', argument " "1"" of type '" "OpenBabel::OBPlugin *""'");  }
12559    arg1 = reinterpret_cast< OpenBabel::OBPlugin * >(argp1); (arg1)->Init(); r_ans = R_NilValue; vmaxset(r_vmax);
12560   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBPlugin_GetPlugin(SEXP Type,SEXP ID)12561 SWIGEXPORT SEXP R_swig_OBPlugin_GetPlugin ( SEXP Type, SEXP ID) { OpenBabel::OBPlugin *result = 0 ; char *arg1 = (char *) 0 ;
12562   char *arg2 = (char *) 0 ; int res1 ; char *buf1 = 0 ; int alloc1 = 0 ; int res2 ; char *buf2 = 0 ; int alloc2 = 0 ;
12563   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12564   res1 = SWIG_AsCharPtrAndSize(Type, &buf1, NULL, &alloc1); if (!SWIG_IsOK(res1)) {
12565     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBPlugin_GetPlugin" "', argument " "1"" of type '" "char const *""'"); }
12566    arg1 = reinterpret_cast< char * >(buf1); res2 = SWIG_AsCharPtrAndSize(ID, &buf2, NULL, &alloc2); if (!SWIG_IsOK(res2)) {
12567     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBPlugin_GetPlugin" "', argument " "2"" of type '" "char const *""'"); }
12568    arg2 = reinterpret_cast< char * >(buf2);
12569   result = (OpenBabel::OBPlugin *)OpenBabel::OBPlugin::GetPlugin((char const *)arg1,(char const *)arg2);
12570   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBPlugin, R_SWIG_EXTERNAL |  0 );
12571   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; vmaxset(r_vmax);
12572   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBPlugin_GetID(SEXP self)12573 SWIGEXPORT SEXP R_swig_OBPlugin_GetID ( SEXP self) { char *result = 0 ; OpenBabel::OBPlugin *arg1 = (OpenBabel::OBPlugin *) 0 ;
12574   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12575   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBPlugin, 0 |  0 ); if (!SWIG_IsOK(res1)) {
12576     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBPlugin_GetID" "', argument " "1"" of type '" "OpenBabel::OBPlugin const *""'");  }
12577    arg1 = reinterpret_cast< OpenBabel::OBPlugin * >(argp1); result = (char *)((OpenBabel::OBPlugin const *)arg1)->GetID();
12578   r_ans = SWIG_FromCharPtr((const char *)result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBPlugin_ListAsVector(SEXP PluginID,SEXP param,SEXP vlist,SEXP s_swig_copy)12579 SWIGEXPORT SEXP R_swig_OBPlugin_ListAsVector ( SEXP PluginID, SEXP param, SEXP vlist, SEXP s_swig_copy) { bool result;
12580   char *arg1 = (char *) 0 ; char *arg2 = (char *) 0 ; std::vector< std::string,std::allocator< std::string > > *arg3 = 0 ;
12581   int res1 ; char *buf1 = 0 ; int alloc1 = 0 ; int res2 ; char *buf2 = 0 ; int alloc2 = 0 ; void *argp3 = 0 ; int res3 = 0 ;
12582   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12583   res1 = SWIG_AsCharPtrAndSize(PluginID, &buf1, NULL, &alloc1); if (!SWIG_IsOK(res1)) {
12584     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBPlugin_ListAsVector" "', argument " "1"" of type '" "char const *""'"); }
12585    arg1 = reinterpret_cast< char * >(buf1); res2 = SWIG_AsCharPtrAndSize(param, &buf2, NULL, &alloc2); if (!SWIG_IsOK(res2)) {
12586     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBPlugin_ListAsVector" "', argument " "2"" of type '" "char const *""'"); }
12587    arg2 = reinterpret_cast< char * >(buf2);
12588   res3 = SWIG_R_ConvertPtr(vlist, &argp3, SWIGTYPE_p_std__vectorT_std__string_std__allocatorT_std__string_t_t,  0 );
12589   if (!SWIG_IsOK(res3)) {
12590     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBPlugin_ListAsVector" "', argument " "3"" of type '" "std::vector< std::string,std::allocator< std::string > > &""'");  }
12591    if (!argp3) {
12592     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBPlugin_ListAsVector" "', argument " "3"" of type '" "std::vector< std::string,std::allocator< std::string > > &""'"); }
12593    arg3 = reinterpret_cast< std::vector< std::string,std::allocator< std::string > > * >(argp3);
12594   result = (bool)OpenBabel::OBPlugin::ListAsVector((char const *)arg1,(char const *)arg2,*arg3);
12595   r_ans = Rf_ScalarLogical(result); if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
12596   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBPlugin_List__SWIG_0(SEXP PluginID,SEXP param,SEXP os)12597 SWIGEXPORT SEXP R_swig_OBPlugin_List__SWIG_0 ( SEXP PluginID, SEXP param, SEXP os) { char *arg1 = (char *) 0 ;
12598   char *arg2 = (char *) 0 ; std::ostream *arg3 = (std::ostream *) 0 ; int res1 ; char *buf1 = 0 ; int alloc1 = 0 ; int res2 ;
12599   char *buf2 = 0 ; int alloc2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
12600   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_AsCharPtrAndSize(PluginID, &buf1, NULL, &alloc1); if (!SWIG_IsOK(res1)) {
12601     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBPlugin_List" "', argument " "1"" of type '" "char const *""'"); }
12602   arg1 = reinterpret_cast< char * >(buf1); res2 = SWIG_AsCharPtrAndSize(param, &buf2, NULL, &alloc2); if (!SWIG_IsOK(res2)) {
12603     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBPlugin_List" "', argument " "2"" of type '" "char const *""'"); }
12604   arg2 = reinterpret_cast< char * >(buf2); res3 = SWIG_R_ConvertPtr(os, &argp3, SWIGTYPE_p_std__ostream, 0 |  0 );
12605   if (!SWIG_IsOK(res3)) {
12606     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBPlugin_List" "', argument " "3"" of type '" "std::ostream *""'");  }
12607    arg3 = reinterpret_cast< std::ostream * >(argp3); OpenBabel::OBPlugin::List((char const *)arg1,(char const *)arg2,arg3);
12608   r_ans = R_NilValue; if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; vmaxset(r_vmax);
12609   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBPlugin_List__SWIG_1(SEXP PluginID,SEXP param)12610 SWIGEXPORT SEXP R_swig_OBPlugin_List__SWIG_1 ( SEXP PluginID, SEXP param) { char *arg1 = (char *) 0 ; char *arg2 = (char *) 0 ;
12611   int res1 ; char *buf1 = 0 ; int alloc1 = 0 ; int res2 ; char *buf2 = 0 ; int alloc2 = 0 ; unsigned int r_nprotect = 0;
12612   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_AsCharPtrAndSize(PluginID, &buf1, NULL, &alloc1);
12613   if (!SWIG_IsOK(res1)) {
12614     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBPlugin_List" "', argument " "1"" of type '" "char const *""'"); }
12615   arg1 = reinterpret_cast< char * >(buf1); res2 = SWIG_AsCharPtrAndSize(param, &buf2, NULL, &alloc2); if (!SWIG_IsOK(res2)) {
12616     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBPlugin_List" "', argument " "2"" of type '" "char const *""'"); }
12617   arg2 = reinterpret_cast< char * >(buf2); OpenBabel::OBPlugin::List((char const *)arg1,(char const *)arg2); r_ans = R_NilValue;
12618   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; vmaxset(r_vmax);
12619   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBPlugin_List__SWIG_2(SEXP PluginID)12620 SWIGEXPORT SEXP R_swig_OBPlugin_List__SWIG_2 ( SEXP PluginID) { char *arg1 = (char *) 0 ; int res1 ; char *buf1 = 0 ;
12621   int alloc1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12622   res1 = SWIG_AsCharPtrAndSize(PluginID, &buf1, NULL, &alloc1); if (!SWIG_IsOK(res1)) {
12623     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBPlugin_List" "', argument " "1"" of type '" "char const *""'"); }
12624   arg1 = reinterpret_cast< char * >(buf1); OpenBabel::OBPlugin::List((char const *)arg1); r_ans = R_NilValue;
12625   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBPlugin_ListAsString__SWIG_0(SEXP PluginID,SEXP param,SEXP s_swig_copy)12626 SWIGEXPORT SEXP R_swig_OBPlugin_ListAsString__SWIG_0 ( SEXP PluginID, SEXP param, SEXP s_swig_copy) { std::string result;
12627   char *arg1 = (char *) 0 ; char *arg2 = (char *) 0 ; int res1 ; char *buf1 = 0 ; int alloc1 = 0 ; int res2 ; char *buf2 = 0 ;
12628   int alloc2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12629   res1 = SWIG_AsCharPtrAndSize(PluginID, &buf1, NULL, &alloc1); if (!SWIG_IsOK(res1)) {
12630     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBPlugin_ListAsString" "', argument " "1"" of type '" "char const *""'"); }
12631    arg1 = reinterpret_cast< char * >(buf1); res2 = SWIG_AsCharPtrAndSize(param, &buf2, NULL, &alloc2); if (!SWIG_IsOK(res2)) {
12632     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBPlugin_ListAsString" "', argument " "2"" of type '" "char const *""'"); }
12633    arg2 = reinterpret_cast< char * >(buf2); result = OpenBabel::OBPlugin::ListAsString((char const *)arg1,(char const *)arg2);
12634   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
12635   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBPlugin_ListAsString__SWIG_1(SEXP PluginID,SEXP s_swig_copy)12636 SWIGEXPORT SEXP R_swig_OBPlugin_ListAsString__SWIG_1 ( SEXP PluginID, SEXP s_swig_copy) { std::string result;
12637   char *arg1 = (char *) 0 ; int res1 ; char *buf1 = 0 ; int alloc1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
12638   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_AsCharPtrAndSize(PluginID, &buf1, NULL, &alloc1); if (!SWIG_IsOK(res1)) {
12639     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBPlugin_ListAsString" "', argument " "1"" of type '" "char const *""'"); }
12640    arg1 = reinterpret_cast< char * >(buf1); result = OpenBabel::OBPlugin::ListAsString((char const *)arg1);
12641   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); if (alloc1 == SWIG_NEWOBJ) delete[] buf1; vmaxset(r_vmax);
12642   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBPlugin_FirstLine(SEXP txt,SEXP s_swig_copy)12643 SWIGEXPORT SEXP R_swig_OBPlugin_FirstLine ( SEXP txt, SEXP s_swig_copy) { std::string result; char *arg1 = (char *) 0 ;
12644   int res1 ; char *buf1 = 0 ; int alloc1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
12645   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_AsCharPtrAndSize(txt, &buf1, NULL, &alloc1); if (!SWIG_IsOK(res1)) {
12646     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBPlugin_FirstLine" "', argument " "1"" of type '" "char const *""'"); }
12647    arg1 = reinterpret_cast< char * >(buf1); result = OpenBabel::OBPlugin::FirstLine((char const *)arg1);
12648   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); if (alloc1 == SWIG_NEWOBJ) delete[] buf1; vmaxset(r_vmax);
12649   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBPlugin_Begin(SEXP PluginID,SEXP s_swig_copy)12650 SWIGEXPORT SEXP R_swig_OBPlugin_Begin ( SEXP PluginID, SEXP s_swig_copy) { OpenBabel::OBPlugin::PluginIterator result;
12651   char *arg1 = (char *) 0 ; int res1 ; char *buf1 = 0 ; int alloc1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
12652   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_AsCharPtrAndSize(PluginID, &buf1, NULL, &alloc1); if (!SWIG_IsOK(res1)) {
12653     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBPlugin_Begin" "', argument " "1"" of type '" "char const *""'"); }
12654    arg1 = reinterpret_cast< char * >(buf1); result = OpenBabel::OBPlugin::Begin((char const *)arg1);
12655   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBPlugin::PluginIterator(static_cast< const OpenBabel::OBPlugin::PluginIterator& >(result))), SWIGTYPE_p_OpenBabel__OBPlugin__PluginMapType__const_iterator, SWIG_POINTER_OWN |  0 );
12656   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBPlugin_End(SEXP PluginID,SEXP s_swig_copy)12657 SWIGEXPORT SEXP R_swig_OBPlugin_End ( SEXP PluginID, SEXP s_swig_copy) { OpenBabel::OBPlugin::PluginIterator result;
12658   char *arg1 = (char *) 0 ; int res1 ; char *buf1 = 0 ; int alloc1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
12659   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_AsCharPtrAndSize(PluginID, &buf1, NULL, &alloc1); if (!SWIG_IsOK(res1)) {
12660     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBPlugin_End" "', argument " "1"" of type '" "char const *""'"); }
12661   arg1 = reinterpret_cast< char * >(buf1); result = OpenBabel::OBPlugin::End((char const *)arg1);
12662   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBPlugin::PluginIterator(static_cast< const OpenBabel::OBPlugin::PluginIterator& >(result))), SWIGTYPE_p_OpenBabel__OBPlugin__PluginMapType__const_iterator, SWIG_POINTER_OWN |  0 );
12663   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBPlugin_GetMap(SEXP self,SEXP s_swig_copy)12664 SWIGEXPORT SEXP R_swig_OBPlugin_GetMap ( SEXP self, SEXP s_swig_copy) { OpenBabel::OBPlugin::PluginMapType *result = 0 ;
12665   OpenBabel::OBPlugin *arg1 = (OpenBabel::OBPlugin *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
12666   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12667   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBPlugin, 0 |  0 ); if (!SWIG_IsOK(res1)) {
12668     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBPlugin_GetMap" "', argument " "1"" of type '" "OpenBabel::OBPlugin const *""'");  }
12669    arg1 = reinterpret_cast< OpenBabel::OBPlugin * >(argp1);
12670   result = (OpenBabel::OBPlugin::PluginMapType *) &((OpenBabel::OBPlugin const *)arg1)->GetMap();
12671   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__mapT_char_const_p_OpenBabel__OBPlugin_p_OpenBabel__CharPtrLess_std__allocatorT_std__pairT_char_const_pconst_OpenBabel__OBPlugin_p_t_t_t, R_SWIG_EXTERNAL |  0 );
12672   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_stringbuf()12673 SWIGEXPORT SEXP R_swig_new_stringbuf ( ) { std::stringbuf *result = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
12674   VMAXTYPE r_vmax = vmaxget() ; result = (std::stringbuf *)new std::stringbuf();
12675   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__stringbuf, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
12676   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_stringbuf(SEXP self)12677 SWIGEXPORT SEXP R_swig_delete_stringbuf ( SEXP self) { std::stringbuf *arg1 = (std::stringbuf *) 0 ; void *argp1 = 0 ;
12678   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12679   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_std__stringbuf, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
12680     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_stringbuf" "', argument " "1"" of type '" "std::stringbuf *""'");  }
12681    arg1 = reinterpret_cast< std::stringbuf * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
12682   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
12683 SWIGEXPORT SEXP
R_swig_new_OBError__SWIG_0(SEXP method,SEXP errorMsg,SEXP explanation,SEXP possibleCause,SEXP suggestedRemedy,SEXP s_arg6)12684 R_swig_new_OBError__SWIG_0 ( SEXP method, SEXP errorMsg, SEXP explanation, SEXP possibleCause, SEXP suggestedRemedy, SEXP s_arg6)
12685 { OpenBabel::OBError *result = 0 ; std::string *arg1 = 0 ; std::string *arg2 = 0 ; std::string *arg3 = 0 ;
12686   std::string *arg4 = 0 ; std::string *arg5 = 0 ; OpenBabel::obMessageLevel arg6 ; int res1 = SWIG_OLDOBJ ;
12687   int res2 = SWIG_OLDOBJ ; int res3 = SWIG_OLDOBJ ; int res4 = SWIG_OLDOBJ ; int res5 = SWIG_OLDOBJ ; int val6 ;
12688   int ecode6 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; {
12689     std::string *ptr = (std::string *)0; res1 = SWIG_AsPtr_std_string(method, &ptr); if (!SWIG_IsOK(res1)) {
12690       SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBError" "', argument " "1"" of type '" "std::string const &""'"); }
12691      if (!ptr) {
12692       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBError" "', argument " "1"" of type '" "std::string const &""'"); }
12693      arg1 = ptr; }  { std::string *ptr = (std::string *)0; res2 = SWIG_AsPtr_std_string(errorMsg, &ptr); if (!SWIG_IsOK(res2)) {
12694       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_OBError" "', argument " "2"" of type '" "std::string const &""'"); }
12695      if (!ptr) {
12696       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBError" "', argument " "2"" of type '" "std::string const &""'"); }
12697      arg2 = ptr; }  { std::string *ptr = (std::string *)0; res3 = SWIG_AsPtr_std_string(explanation, &ptr);
12698     if (!SWIG_IsOK(res3)) {
12699       SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "new_OBError" "', argument " "3"" of type '" "std::string const &""'"); }
12700      if (!ptr) {
12701       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBError" "', argument " "3"" of type '" "std::string const &""'"); }
12702      arg3 = ptr; }  { std::string *ptr = (std::string *)0; res4 = SWIG_AsPtr_std_string(possibleCause, &ptr);
12703     if (!SWIG_IsOK(res4)) {
12704       SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "new_OBError" "', argument " "4"" of type '" "std::string const &""'"); }
12705      if (!ptr) {
12706       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBError" "', argument " "4"" of type '" "std::string const &""'"); }
12707      arg4 = ptr; }  { std::string *ptr = (std::string *)0; res5 = SWIG_AsPtr_std_string(suggestedRemedy, &ptr);
12708     if (!SWIG_IsOK(res5)) {
12709       SWIG_exception_fail(SWIG_ArgError(res5), "in method '" "new_OBError" "', argument " "5"" of type '" "std::string const &""'"); }
12710      if (!ptr) {
12711       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBError" "', argument " "5"" of type '" "std::string const &""'"); }
12712      arg5 = ptr; }  ecode6 = SWIG_AsVal_int(s_arg6, &val6); if (!SWIG_IsOK(ecode6)) {
12713     SWIG_exception_fail(SWIG_ArgError(ecode6), "in method '" "new_OBError" "', argument " "6"" of type '" "OpenBabel::obMessageLevel""'"); }
12714     arg6 = static_cast< OpenBabel::obMessageLevel >(val6);
12715   result = (OpenBabel::OBError *)new OpenBabel::OBError((std::string const &)*arg1,(std::string const &)*arg2,(std::string const &)*arg3,(std::string const &)*arg4,(std::string const &)*arg5,arg6);
12716   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBError, R_SWIG_OWNER |  0 );
12717   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
12718   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; vmaxset(r_vmax);
12719   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
12720 SWIGEXPORT SEXP
R_swig_new_OBError__SWIG_1(SEXP method,SEXP errorMsg,SEXP explanation,SEXP possibleCause,SEXP suggestedRemedy)12721 R_swig_new_OBError__SWIG_1 ( SEXP method, SEXP errorMsg, SEXP explanation, SEXP possibleCause, SEXP suggestedRemedy) {
12722   OpenBabel::OBError *result = 0 ; std::string *arg1 = 0 ; std::string *arg2 = 0 ; std::string *arg3 = 0 ;
12723   std::string *arg4 = 0 ; std::string *arg5 = 0 ; int res1 = SWIG_OLDOBJ ; int res2 = SWIG_OLDOBJ ; int res3 = SWIG_OLDOBJ ;
12724   int res4 = SWIG_OLDOBJ ; int res5 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
12725   VMAXTYPE r_vmax = vmaxget() ; { std::string *ptr = (std::string *)0; res1 = SWIG_AsPtr_std_string(method, &ptr);
12726     if (!SWIG_IsOK(res1)) {
12727       SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBError" "', argument " "1"" of type '" "std::string const &""'"); }
12728      if (!ptr) {
12729       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBError" "', argument " "1"" of type '" "std::string const &""'"); }
12730      arg1 = ptr; }  { std::string *ptr = (std::string *)0; res2 = SWIG_AsPtr_std_string(errorMsg, &ptr); if (!SWIG_IsOK(res2)) {
12731       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_OBError" "', argument " "2"" of type '" "std::string const &""'"); }
12732      if (!ptr) {
12733       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBError" "', argument " "2"" of type '" "std::string const &""'"); }
12734      arg2 = ptr; }  { std::string *ptr = (std::string *)0; res3 = SWIG_AsPtr_std_string(explanation, &ptr);
12735     if (!SWIG_IsOK(res3)) {
12736       SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "new_OBError" "', argument " "3"" of type '" "std::string const &""'"); }
12737      if (!ptr) {
12738       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBError" "', argument " "3"" of type '" "std::string const &""'"); }
12739      arg3 = ptr; }  { std::string *ptr = (std::string *)0; res4 = SWIG_AsPtr_std_string(possibleCause, &ptr);
12740     if (!SWIG_IsOK(res4)) {
12741       SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "new_OBError" "', argument " "4"" of type '" "std::string const &""'"); }
12742      if (!ptr) {
12743       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBError" "', argument " "4"" of type '" "std::string const &""'"); }
12744      arg4 = ptr; }  { std::string *ptr = (std::string *)0; res5 = SWIG_AsPtr_std_string(suggestedRemedy, &ptr);
12745     if (!SWIG_IsOK(res5)) {
12746       SWIG_exception_fail(SWIG_ArgError(res5), "in method '" "new_OBError" "', argument " "5"" of type '" "std::string const &""'"); }
12747      if (!ptr) {
12748       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBError" "', argument " "5"" of type '" "std::string const &""'"); }
12749      arg5 = ptr; }
12750   result = (OpenBabel::OBError *)new OpenBabel::OBError((std::string const &)*arg1,(std::string const &)*arg2,(std::string const &)*arg3,(std::string const &)*arg4,(std::string const &)*arg5);
12751   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBError, R_SWIG_OWNER |  0 );
12752   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
12753   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; vmaxset(r_vmax);
12754   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBError__SWIG_2(SEXP method,SEXP errorMsg,SEXP explanation,SEXP possibleCause)12755 SWIGEXPORT SEXP R_swig_new_OBError__SWIG_2 ( SEXP method, SEXP errorMsg, SEXP explanation, SEXP possibleCause) {
12756   OpenBabel::OBError *result = 0 ; std::string *arg1 = 0 ; std::string *arg2 = 0 ; std::string *arg3 = 0 ;
12757   std::string *arg4 = 0 ; int res1 = SWIG_OLDOBJ ; int res2 = SWIG_OLDOBJ ; int res3 = SWIG_OLDOBJ ; int res4 = SWIG_OLDOBJ ;
12758   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; { std::string *ptr = (std::string *)0;
12759     res1 = SWIG_AsPtr_std_string(method, &ptr); if (!SWIG_IsOK(res1)) {
12760       SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBError" "', argument " "1"" of type '" "std::string const &""'"); }
12761      if (!ptr) {
12762       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBError" "', argument " "1"" of type '" "std::string const &""'"); }
12763      arg1 = ptr; }  { std::string *ptr = (std::string *)0; res2 = SWIG_AsPtr_std_string(errorMsg, &ptr); if (!SWIG_IsOK(res2)) {
12764       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_OBError" "', argument " "2"" of type '" "std::string const &""'"); }
12765      if (!ptr) {
12766       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBError" "', argument " "2"" of type '" "std::string const &""'"); }
12767      arg2 = ptr; }  { std::string *ptr = (std::string *)0; res3 = SWIG_AsPtr_std_string(explanation, &ptr);
12768     if (!SWIG_IsOK(res3)) {
12769       SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "new_OBError" "', argument " "3"" of type '" "std::string const &""'"); }
12770      if (!ptr) {
12771       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBError" "', argument " "3"" of type '" "std::string const &""'"); }
12772      arg3 = ptr; }  { std::string *ptr = (std::string *)0; res4 = SWIG_AsPtr_std_string(possibleCause, &ptr);
12773     if (!SWIG_IsOK(res4)) {
12774       SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "new_OBError" "', argument " "4"" of type '" "std::string const &""'"); }
12775      if (!ptr) {
12776       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBError" "', argument " "4"" of type '" "std::string const &""'"); }
12777      arg4 = ptr; }
12778   result = (OpenBabel::OBError *)new OpenBabel::OBError((std::string const &)*arg1,(std::string const &)*arg2,(std::string const &)*arg3,(std::string const &)*arg4);
12779   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBError, R_SWIG_OWNER |  0 );
12780   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
12781   if (SWIG_IsNewObj(res4)) delete arg4; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBError__SWIG_3(SEXP method,SEXP errorMsg,SEXP explanation)12782 SWIGEXPORT SEXP R_swig_new_OBError__SWIG_3 ( SEXP method, SEXP errorMsg, SEXP explanation) { OpenBabel::OBError *result = 0 ;
12783   std::string *arg1 = 0 ; std::string *arg2 = 0 ; std::string *arg3 = 0 ; int res1 = SWIG_OLDOBJ ; int res2 = SWIG_OLDOBJ ;
12784   int res3 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; {
12785     std::string *ptr = (std::string *)0; res1 = SWIG_AsPtr_std_string(method, &ptr); if (!SWIG_IsOK(res1)) {
12786       SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBError" "', argument " "1"" of type '" "std::string const &""'"); }
12787      if (!ptr) {
12788       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBError" "', argument " "1"" of type '" "std::string const &""'"); }
12789      arg1 = ptr; }  { std::string *ptr = (std::string *)0; res2 = SWIG_AsPtr_std_string(errorMsg, &ptr); if (!SWIG_IsOK(res2)) {
12790       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_OBError" "', argument " "2"" of type '" "std::string const &""'"); }
12791      if (!ptr) {
12792       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBError" "', argument " "2"" of type '" "std::string const &""'"); }
12793      arg2 = ptr; }  { std::string *ptr = (std::string *)0; res3 = SWIG_AsPtr_std_string(explanation, &ptr);
12794     if (!SWIG_IsOK(res3)) {
12795       SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "new_OBError" "', argument " "3"" of type '" "std::string const &""'"); }
12796      if (!ptr) {
12797       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBError" "', argument " "3"" of type '" "std::string const &""'"); }
12798      arg3 = ptr; }
12799   result = (OpenBabel::OBError *)new OpenBabel::OBError((std::string const &)*arg1,(std::string const &)*arg2,(std::string const &)*arg3);
12800   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBError, R_SWIG_OWNER |  0 );
12801   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
12802   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBError__SWIG_4(SEXP method,SEXP errorMsg)12803 SWIGEXPORT SEXP R_swig_new_OBError__SWIG_4 ( SEXP method, SEXP errorMsg) { OpenBabel::OBError *result = 0 ;
12804   std::string *arg1 = 0 ; std::string *arg2 = 0 ; int res1 = SWIG_OLDOBJ ; int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0;
12805   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; { std::string *ptr = (std::string *)0;
12806     res1 = SWIG_AsPtr_std_string(method, &ptr); if (!SWIG_IsOK(res1)) {
12807       SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBError" "', argument " "1"" of type '" "std::string const &""'"); }
12808      if (!ptr) {
12809       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBError" "', argument " "1"" of type '" "std::string const &""'"); }
12810      arg1 = ptr; }  { std::string *ptr = (std::string *)0; res2 = SWIG_AsPtr_std_string(errorMsg, &ptr); if (!SWIG_IsOK(res2)) {
12811       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_OBError" "', argument " "2"" of type '" "std::string const &""'"); }
12812      if (!ptr) {
12813       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBError" "', argument " "2"" of type '" "std::string const &""'"); }
12814      arg2 = ptr; }
12815   result = (OpenBabel::OBError *)new OpenBabel::OBError((std::string const &)*arg1,(std::string const &)*arg2);
12816   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBError, R_SWIG_OWNER |  0 );
12817   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax);
12818   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBError__SWIG_5(SEXP method)12819 SWIGEXPORT SEXP R_swig_new_OBError__SWIG_5 ( SEXP method) { OpenBabel::OBError *result = 0 ; std::string *arg1 = 0 ;
12820   int res1 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; {
12821     std::string *ptr = (std::string *)0; res1 = SWIG_AsPtr_std_string(method, &ptr); if (!SWIG_IsOK(res1)) {
12822       SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBError" "', argument " "1"" of type '" "std::string const &""'"); }
12823      if (!ptr) {
12824       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBError" "', argument " "1"" of type '" "std::string const &""'"); }
12825      arg1 = ptr; }  result = (OpenBabel::OBError *)new OpenBabel::OBError((std::string const &)*arg1);
12826   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBError, R_SWIG_OWNER |  0 );
12827   if (SWIG_IsNewObj(res1)) delete arg1; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBError__SWIG_6()12828 SWIGEXPORT SEXP R_swig_new_OBError__SWIG_6 ( ) { OpenBabel::OBError *result = 0 ; unsigned int r_nprotect = 0;
12829   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBError *)new OpenBabel::OBError();
12830   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBError, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
12831   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBError_message(SEXP self,SEXP s_swig_copy)12832 SWIGEXPORT SEXP R_swig_OBError_message ( SEXP self, SEXP s_swig_copy) { std::string result;
12833   OpenBabel::OBError *arg1 = (OpenBabel::OBError *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
12834   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12835   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBError, 0 |  0 ); if (!SWIG_IsOK(res1)) {
12836     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBError_message" "', argument " "1"" of type '" "OpenBabel::OBError const *""'");  }
12837    arg1 = reinterpret_cast< OpenBabel::OBError * >(argp1); result = ((OpenBabel::OBError const *)arg1)->message();
12838   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
12839   return r_ans; }
R_swig_OBError_GetMethod(SEXP self,SEXP s_swig_copy)12840 SWIGEXPORT SEXP R_swig_OBError_GetMethod ( SEXP self, SEXP s_swig_copy) { std::string result;
12841   OpenBabel::OBError *arg1 = (OpenBabel::OBError *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
12842   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12843   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBError, 0 |  0 ); if (!SWIG_IsOK(res1)) {
12844     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBError_GetMethod" "', argument " "1"" of type '" "OpenBabel::OBError const *""'");  }
12845    arg1 = reinterpret_cast< OpenBabel::OBError * >(argp1); result = ((OpenBabel::OBError const *)arg1)->GetMethod();
12846   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
12847   return r_ans; }
R_swig_OBError_GetError(SEXP self,SEXP s_swig_copy)12848 SWIGEXPORT SEXP R_swig_OBError_GetError ( SEXP self, SEXP s_swig_copy) { std::string result;
12849   OpenBabel::OBError *arg1 = (OpenBabel::OBError *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
12850   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12851   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBError, 0 |  0 ); if (!SWIG_IsOK(res1)) {
12852     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBError_GetError" "', argument " "1"" of type '" "OpenBabel::OBError const *""'");  }
12853    arg1 = reinterpret_cast< OpenBabel::OBError * >(argp1); result = ((OpenBabel::OBError const *)arg1)->GetError();
12854   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
12855   return r_ans; }
R_swig_OBError_GetExplanation(SEXP self,SEXP s_swig_copy)12856 SWIGEXPORT SEXP R_swig_OBError_GetExplanation ( SEXP self, SEXP s_swig_copy) { std::string result;
12857   OpenBabel::OBError *arg1 = (OpenBabel::OBError *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
12858   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12859   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBError, 0 |  0 ); if (!SWIG_IsOK(res1)) {
12860     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBError_GetExplanation" "', argument " "1"" of type '" "OpenBabel::OBError const *""'");  }
12861    arg1 = reinterpret_cast< OpenBabel::OBError * >(argp1); result = ((OpenBabel::OBError const *)arg1)->GetExplanation();
12862   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
12863   return r_ans; }
R_swig_OBError_GetPossibleCause(SEXP self,SEXP s_swig_copy)12864 SWIGEXPORT SEXP R_swig_OBError_GetPossibleCause ( SEXP self, SEXP s_swig_copy) { std::string result;
12865   OpenBabel::OBError *arg1 = (OpenBabel::OBError *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
12866   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12867   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBError, 0 |  0 ); if (!SWIG_IsOK(res1)) {
12868     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBError_GetPossibleCause" "', argument " "1"" of type '" "OpenBabel::OBError const *""'");  }
12869    arg1 = reinterpret_cast< OpenBabel::OBError * >(argp1); result = ((OpenBabel::OBError const *)arg1)->GetPossibleCause();
12870   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
12871   return r_ans; }
R_swig_OBError_GetSuggestedRemedy(SEXP self,SEXP s_swig_copy)12872 SWIGEXPORT SEXP R_swig_OBError_GetSuggestedRemedy ( SEXP self, SEXP s_swig_copy) { std::string result;
12873   OpenBabel::OBError *arg1 = (OpenBabel::OBError *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
12874   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12875   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBError, 0 |  0 ); if (!SWIG_IsOK(res1)) {
12876     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBError_GetSuggestedRemedy" "', argument " "1"" of type '" "OpenBabel::OBError const *""'");  }
12877    arg1 = reinterpret_cast< OpenBabel::OBError * >(argp1); result = ((OpenBabel::OBError const *)arg1)->GetSuggestedRemedy();
12878   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
12879   return r_ans; }
R_swig_OBError_GetLevel(SEXP self,SEXP s_swig_copy)12880 SWIGEXPORT SEXP R_swig_OBError_GetLevel ( SEXP self, SEXP s_swig_copy) { OpenBabel::obMessageLevel result;
12881   OpenBabel::OBError *arg1 = (OpenBabel::OBError *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
12882   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12883   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBError, 0 |  0 ); if (!SWIG_IsOK(res1)) {
12884     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBError_GetLevel" "', argument " "1"" of type '" "OpenBabel::OBError const *""'");  }
12885    arg1 = reinterpret_cast< OpenBabel::OBError * >(argp1);
12886   result = (OpenBabel::obMessageLevel)((OpenBabel::OBError const *)arg1)->GetLevel();
12887   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBError(SEXP self)12888 SWIGEXPORT SEXP R_swig_delete_OBError ( SEXP self) { OpenBabel::OBError *arg1 = (OpenBabel::OBError *) 0 ; void *argp1 = 0 ;
12889   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12890   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBError, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
12891     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBError" "', argument " "1"" of type '" "OpenBabel::OBError *""'");  }
12892    arg1 = reinterpret_cast< OpenBabel::OBError * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
12893   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_new_OBMessageHandler()12894 SWIGEXPORT SEXP R_swig_new_OBMessageHandler ( ) { OpenBabel::OBMessageHandler *result = 0 ; unsigned int r_nprotect = 0;
12895   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12896   result = (OpenBabel::OBMessageHandler *)new OpenBabel::OBMessageHandler();
12897   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMessageHandler, R_SWIG_OWNER |  0 );
12898   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBMessageHandler(SEXP self)12899 SWIGEXPORT SEXP R_swig_delete_OBMessageHandler ( SEXP self) {
12900   OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
12901   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12902   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMessageHandler, SWIG_POINTER_DISOWN |  0 );
12903   if (!SWIG_IsOK(res1)) {
12904     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBMessageHandler" "', argument " "1"" of type '" "OpenBabel::OBMessageHandler *""'");  }
12905    arg1 = reinterpret_cast< OpenBabel::OBMessageHandler * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
12906   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBMessageHandler_ThrowError__SWIG_0(SEXP self,SEXP err,SEXP qqualifier)12907 SWIGEXPORT SEXP R_swig_OBMessageHandler_ThrowError__SWIG_0 ( SEXP self, SEXP err, SEXP qqualifier) {
12908   OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; OpenBabel::OBError arg2 ;
12909   OpenBabel::errorQualifier arg3 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ; int val3 ; int ecode3 = 0 ;
12910   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12911   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMessageHandler, 0 |  0 ); if (!SWIG_IsOK(res1)) {
12912     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMessageHandler_ThrowError" "', argument " "1"" of type '" "OpenBabel::OBMessageHandler *""'");  }
12913    arg1 = reinterpret_cast< OpenBabel::OBMessageHandler * >(argp1); {
12914     res2 = SWIG_R_ConvertPtr(err, &argp2, SWIGTYPE_p_OpenBabel__OBError,  0 ); if (!SWIG_IsOK(res2)) {
12915       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMessageHandler_ThrowError" "', argument " "2"" of type '" "OpenBabel::OBError""'");  }
12916        if (!argp2) {
12917       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMessageHandler_ThrowError" "', argument " "2"" of type '" "OpenBabel::OBError""'"); }
12918      else { arg2 = *(reinterpret_cast< OpenBabel::OBError * >(argp2)); }  }  ecode3 = SWIG_AsVal_int(qqualifier, &val3);
12919   if (!SWIG_IsOK(ecode3)) {
12920     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "OBMessageHandler_ThrowError" "', argument " "3"" of type '" "OpenBabel::errorQualifier""'"); }
12921     arg3 = static_cast< OpenBabel::errorQualifier >(val3); (arg1)->ThrowError(arg2,arg3); r_ans = R_NilValue; vmaxset(r_vmax);
12922   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMessageHandler_ThrowError__SWIG_1(SEXP self,SEXP err)12923 SWIGEXPORT SEXP R_swig_OBMessageHandler_ThrowError__SWIG_1 ( SEXP self, SEXP err) {
12924   OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; OpenBabel::OBError arg2 ; void *argp1 = 0 ;
12925   int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
12926   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMessageHandler, 0 |  0 );
12927   if (!SWIG_IsOK(res1)) {
12928     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMessageHandler_ThrowError" "', argument " "1"" of type '" "OpenBabel::OBMessageHandler *""'");  }
12929    arg1 = reinterpret_cast< OpenBabel::OBMessageHandler * >(argp1); {
12930     res2 = SWIG_R_ConvertPtr(err, &argp2, SWIGTYPE_p_OpenBabel__OBError,  0 ); if (!SWIG_IsOK(res2)) {
12931       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMessageHandler_ThrowError" "', argument " "2"" of type '" "OpenBabel::OBError""'");  }
12932        if (!argp2) {
12933       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMessageHandler_ThrowError" "', argument " "2"" of type '" "OpenBabel::OBError""'"); }
12934      else { arg2 = *(reinterpret_cast< OpenBabel::OBError * >(argp2)); }  }  (arg1)->ThrowError(arg2); r_ans = R_NilValue;
12935   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMessageHandler_ThrowError__SWIG_2(SEXP self,SEXP method,SEXP errorMsg,SEXP level,SEXP qualifier)12936 SWIGEXPORT SEXP R_swig_OBMessageHandler_ThrowError__SWIG_2 ( SEXP self, SEXP method, SEXP errorMsg, SEXP level, SEXP qualifier)
12937 { OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; std::string *arg2 = 0 ; std::string *arg3 = 0 ;
12938   OpenBabel::obMessageLevel arg4 ; OpenBabel::errorQualifier arg5 ; void *argp1 = 0 ; int res1 = 0 ; int res2 = SWIG_OLDOBJ ;
12939   int res3 = SWIG_OLDOBJ ; int val4 ; int ecode4 = 0 ; int val5 ; int ecode5 = 0 ; unsigned int r_nprotect = 0;
12940   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12941   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMessageHandler, 0 |  0 ); if (!SWIG_IsOK(res1)) {
12942     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMessageHandler_ThrowError" "', argument " "1"" of type '" "OpenBabel::OBMessageHandler *""'");  }
12943    arg1 = reinterpret_cast< OpenBabel::OBMessageHandler * >(argp1); { std::string *ptr = (std::string *)0;
12944     res2 = SWIG_AsPtr_std_string(method, &ptr); if (!SWIG_IsOK(res2)) {
12945       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMessageHandler_ThrowError" "', argument " "2"" of type '" "std::string const &""'"); }
12946      if (!ptr) {
12947       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMessageHandler_ThrowError" "', argument " "2"" of type '" "std::string const &""'"); }
12948      arg2 = ptr; }  { std::string *ptr = (std::string *)0; res3 = SWIG_AsPtr_std_string(errorMsg, &ptr); if (!SWIG_IsOK(res3)) {
12949       SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBMessageHandler_ThrowError" "', argument " "3"" of type '" "std::string const &""'"); }
12950      if (!ptr) {
12951       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMessageHandler_ThrowError" "', argument " "3"" of type '" "std::string const &""'"); }
12952      arg3 = ptr; }  ecode4 = SWIG_AsVal_int(level, &val4); if (!SWIG_IsOK(ecode4)) {
12953     SWIG_exception_fail(SWIG_ArgError(ecode4), "in method '" "OBMessageHandler_ThrowError" "', argument " "4"" of type '" "OpenBabel::obMessageLevel""'"); }
12954     arg4 = static_cast< OpenBabel::obMessageLevel >(val4); ecode5 = SWIG_AsVal_int(qualifier, &val5); if (!SWIG_IsOK(ecode5)) {
12955     SWIG_exception_fail(SWIG_ArgError(ecode5), "in method '" "OBMessageHandler_ThrowError" "', argument " "5"" of type '" "OpenBabel::errorQualifier""'"); }
12956     arg5 = static_cast< OpenBabel::errorQualifier >(val5);
12957   (arg1)->ThrowError((std::string const &)*arg2,(std::string const &)*arg3,arg4,arg5); r_ans = R_NilValue;
12958   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; vmaxset(r_vmax);
12959   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMessageHandler_ThrowError__SWIG_3(SEXP self,SEXP method,SEXP errorMsg,SEXP level)12960 SWIGEXPORT SEXP R_swig_OBMessageHandler_ThrowError__SWIG_3 ( SEXP self, SEXP method, SEXP errorMsg, SEXP level) {
12961   OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; std::string *arg2 = 0 ; std::string *arg3 = 0 ;
12962   OpenBabel::obMessageLevel arg4 ; void *argp1 = 0 ; int res1 = 0 ; int res2 = SWIG_OLDOBJ ; int res3 = SWIG_OLDOBJ ; int val4 ;
12963   int ecode4 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12964   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMessageHandler, 0 |  0 ); if (!SWIG_IsOK(res1)) {
12965     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMessageHandler_ThrowError" "', argument " "1"" of type '" "OpenBabel::OBMessageHandler *""'");  }
12966    arg1 = reinterpret_cast< OpenBabel::OBMessageHandler * >(argp1); { std::string *ptr = (std::string *)0;
12967     res2 = SWIG_AsPtr_std_string(method, &ptr); if (!SWIG_IsOK(res2)) {
12968       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMessageHandler_ThrowError" "', argument " "2"" of type '" "std::string const &""'"); }
12969      if (!ptr) {
12970       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMessageHandler_ThrowError" "', argument " "2"" of type '" "std::string const &""'"); }
12971      arg2 = ptr; }  { std::string *ptr = (std::string *)0; res3 = SWIG_AsPtr_std_string(errorMsg, &ptr); if (!SWIG_IsOK(res3)) {
12972       SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBMessageHandler_ThrowError" "', argument " "3"" of type '" "std::string const &""'"); }
12973      if (!ptr) {
12974       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMessageHandler_ThrowError" "', argument " "3"" of type '" "std::string const &""'"); }
12975      arg3 = ptr; }  ecode4 = SWIG_AsVal_int(level, &val4); if (!SWIG_IsOK(ecode4)) {
12976     SWIG_exception_fail(SWIG_ArgError(ecode4), "in method '" "OBMessageHandler_ThrowError" "', argument " "4"" of type '" "OpenBabel::obMessageLevel""'"); }
12977     arg4 = static_cast< OpenBabel::obMessageLevel >(val4);
12978   (arg1)->ThrowError((std::string const &)*arg2,(std::string const &)*arg3,arg4); r_ans = R_NilValue;
12979   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; vmaxset(r_vmax);
12980   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMessageHandler_ThrowError__SWIG_4(SEXP self,SEXP method,SEXP errorMsg)12981 SWIGEXPORT SEXP R_swig_OBMessageHandler_ThrowError__SWIG_4 ( SEXP self, SEXP method, SEXP errorMsg) {
12982   OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; std::string *arg2 = 0 ; std::string *arg3 = 0 ;
12983   void *argp1 = 0 ; int res1 = 0 ; int res2 = SWIG_OLDOBJ ; int res3 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0;
12984   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
12985   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMessageHandler, 0 |  0 ); if (!SWIG_IsOK(res1)) {
12986     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMessageHandler_ThrowError" "', argument " "1"" of type '" "OpenBabel::OBMessageHandler *""'");  }
12987    arg1 = reinterpret_cast< OpenBabel::OBMessageHandler * >(argp1); { std::string *ptr = (std::string *)0;
12988     res2 = SWIG_AsPtr_std_string(method, &ptr); if (!SWIG_IsOK(res2)) {
12989       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMessageHandler_ThrowError" "', argument " "2"" of type '" "std::string const &""'"); }
12990      if (!ptr) {
12991       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMessageHandler_ThrowError" "', argument " "2"" of type '" "std::string const &""'"); }
12992      arg2 = ptr; }  { std::string *ptr = (std::string *)0; res3 = SWIG_AsPtr_std_string(errorMsg, &ptr); if (!SWIG_IsOK(res3)) {
12993       SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBMessageHandler_ThrowError" "', argument " "3"" of type '" "std::string const &""'"); }
12994      if (!ptr) {
12995       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMessageHandler_ThrowError" "', argument " "3"" of type '" "std::string const &""'"); }
12996      arg3 = ptr; }  (arg1)->ThrowError((std::string const &)*arg2,(std::string const &)*arg3); r_ans = R_NilValue;
12997   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; vmaxset(r_vmax);
12998   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMessageHandler_GetMessagesOfLevel(SEXP self,SEXP s_arg2,SEXP s_swig_copy)12999 SWIGEXPORT SEXP R_swig_OBMessageHandler_GetMessagesOfLevel ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) {
13000   std::vector< std::string,std::allocator< std::string > > result;
13001   OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; OpenBabel::obMessageLevel arg2 ; void *argp1 = 0 ;
13002   int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
13003   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMessageHandler, 0 |  0 );
13004   if (!SWIG_IsOK(res1)) {
13005     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMessageHandler_GetMessagesOfLevel" "', argument " "1"" of type '" "OpenBabel::OBMessageHandler *""'");  }
13006    arg1 = reinterpret_cast< OpenBabel::OBMessageHandler * >(argp1); ecode2 = SWIG_AsVal_int(s_arg2, &val2);
13007   if (!SWIG_IsOK(ecode2)) {
13008     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMessageHandler_GetMessagesOfLevel" "', argument " "2"" of type '" "OpenBabel::obMessageLevel""'"); }
13009     arg2 = static_cast< OpenBabel::obMessageLevel >(val2); result = (arg1)->GetMessagesOfLevel(arg2);
13010   r_ans = swig::from(static_cast< std::vector<std::string,std::allocator< std::string > > >(result)); vmaxset(r_vmax);
13011   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMessageHandler_StartLogging(SEXP self)13012 SWIGEXPORT SEXP R_swig_OBMessageHandler_StartLogging ( SEXP self) {
13013   OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
13014   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13015   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMessageHandler, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13016     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMessageHandler_StartLogging" "', argument " "1"" of type '" "OpenBabel::OBMessageHandler *""'");  }
13017    arg1 = reinterpret_cast< OpenBabel::OBMessageHandler * >(argp1); (arg1)->StartLogging(); r_ans = R_NilValue; vmaxset(r_vmax);
13018   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMessageHandler_StopLogging(SEXP self)13019 SWIGEXPORT SEXP R_swig_OBMessageHandler_StopLogging ( SEXP self) {
13020   OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
13021   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13022   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMessageHandler, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13023     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMessageHandler_StopLogging" "', argument " "1"" of type '" "OpenBabel::OBMessageHandler *""'");  }
13024    arg1 = reinterpret_cast< OpenBabel::OBMessageHandler * >(argp1); (arg1)->StopLogging(); r_ans = R_NilValue; vmaxset(r_vmax);
13025   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMessageHandler_SetMaxLogEntries(SEXP self,SEXP max)13026 SWIGEXPORT SEXP R_swig_OBMessageHandler_SetMaxLogEntries ( SEXP self, SEXP max) {
13027   OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
13028   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13029   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMessageHandler, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13030     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMessageHandler_SetMaxLogEntries" "', argument " "1"" of type '" "OpenBabel::OBMessageHandler *""'");  }
13031    arg1 = reinterpret_cast< OpenBabel::OBMessageHandler * >(argp1); ecode2 = SWIG_AsVal_int(max, &val2);
13032   if (!SWIG_IsOK(ecode2)) {
13033     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMessageHandler_SetMaxLogEntries" "', argument " "2"" of type '" "unsigned int""'"); }
13034     arg2 = static_cast< unsigned int >(val2); (arg1)->SetMaxLogEntries(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
13035   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMessageHandler_GetMaxLogEntries(SEXP self,SEXP s_swig_copy)13036 SWIGEXPORT SEXP R_swig_OBMessageHandler_GetMaxLogEntries ( SEXP self, SEXP s_swig_copy) { unsigned int result;
13037   OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
13038   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13039   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMessageHandler, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13040     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMessageHandler_GetMaxLogEntries" "', argument " "1"" of type '" "OpenBabel::OBMessageHandler *""'");  }
13041    arg1 = reinterpret_cast< OpenBabel::OBMessageHandler * >(argp1); result = (unsigned int)(arg1)->GetMaxLogEntries();
13042   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMessageHandler_ClearLog(SEXP self)13043 SWIGEXPORT SEXP R_swig_OBMessageHandler_ClearLog ( SEXP self) {
13044   OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
13045   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13046   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMessageHandler, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13047     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMessageHandler_ClearLog" "', argument " "1"" of type '" "OpenBabel::OBMessageHandler *""'");  }
13048    arg1 = reinterpret_cast< OpenBabel::OBMessageHandler * >(argp1); (arg1)->ClearLog(); r_ans = R_NilValue; vmaxset(r_vmax);
13049   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMessageHandler_SetOutputLevel(SEXP self,SEXP level)13050 SWIGEXPORT SEXP R_swig_OBMessageHandler_SetOutputLevel ( SEXP self, SEXP level) {
13051   OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; OpenBabel::obMessageLevel arg2 ; void *argp1 = 0 ;
13052   int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
13053   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMessageHandler, 0 |  0 );
13054   if (!SWIG_IsOK(res1)) {
13055     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMessageHandler_SetOutputLevel" "', argument " "1"" of type '" "OpenBabel::OBMessageHandler *""'");  }
13056    arg1 = reinterpret_cast< OpenBabel::OBMessageHandler * >(argp1); ecode2 = SWIG_AsVal_int(level, &val2);
13057   if (!SWIG_IsOK(ecode2)) {
13058     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMessageHandler_SetOutputLevel" "', argument " "2"" of type '" "OpenBabel::obMessageLevel""'"); }
13059     arg2 = static_cast< OpenBabel::obMessageLevel >(val2); (arg1)->SetOutputLevel(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
13060   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMessageHandler_GetOutputLevel(SEXP self,SEXP s_swig_copy)13061 SWIGEXPORT SEXP R_swig_OBMessageHandler_GetOutputLevel ( SEXP self, SEXP s_swig_copy) { OpenBabel::obMessageLevel result;
13062   OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
13063   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13064   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMessageHandler, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13065     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMessageHandler_GetOutputLevel" "', argument " "1"" of type '" "OpenBabel::OBMessageHandler *""'");  }
13066    arg1 = reinterpret_cast< OpenBabel::OBMessageHandler * >(argp1);
13067   result = (OpenBabel::obMessageLevel)(arg1)->GetOutputLevel(); r_ans = SWIG_From_int(static_cast< int >(result));
13068   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMessageHandler_SetOutputStream(SEXP self,SEXP os)13069 SWIGEXPORT SEXP R_swig_OBMessageHandler_SetOutputStream ( SEXP self, SEXP os) {
13070   OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; std::ostream *arg2 = (std::ostream *) 0 ;
13071   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
13072   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMessageHandler, 0 |  0 );
13073   if (!SWIG_IsOK(res1)) {
13074     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMessageHandler_SetOutputStream" "', argument " "1"" of type '" "OpenBabel::OBMessageHandler *""'");  }
13075    arg1 = reinterpret_cast< OpenBabel::OBMessageHandler * >(argp1);
13076   res2 = SWIG_R_ConvertPtr(os, &argp2, SWIGTYPE_p_std__ostream, 0 |  0 ); if (!SWIG_IsOK(res2)) {
13077     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMessageHandler_SetOutputStream" "', argument " "2"" of type '" "std::ostream *""'");  }
13078    arg2 = reinterpret_cast< std::ostream * >(argp2); (arg1)->SetOutputStream(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
13079   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMessageHandler_GetOutputStream(SEXP self)13080 SWIGEXPORT SEXP R_swig_OBMessageHandler_GetOutputStream ( SEXP self) { std::ostream *result = 0 ;
13081   OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
13082   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13083   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMessageHandler, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13084     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMessageHandler_GetOutputStream" "', argument " "1"" of type '" "OpenBabel::OBMessageHandler *""'");  }
13085    arg1 = reinterpret_cast< OpenBabel::OBMessageHandler * >(argp1); result = (std::ostream *)(arg1)->GetOutputStream();
13086   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__ostream, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
13087   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMessageHandler_StartErrorWrap(SEXP self,SEXP s_swig_copy)13088 SWIGEXPORT SEXP R_swig_OBMessageHandler_StartErrorWrap ( SEXP self, SEXP s_swig_copy) { bool result;
13089   OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
13090   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13091   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMessageHandler, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13092     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMessageHandler_StartErrorWrap" "', argument " "1"" of type '" "OpenBabel::OBMessageHandler *""'");  }
13093    arg1 = reinterpret_cast< OpenBabel::OBMessageHandler * >(argp1); result = (bool)(arg1)->StartErrorWrap();
13094   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMessageHandler_StopErrorWrap(SEXP self,SEXP s_swig_copy)13095 SWIGEXPORT SEXP R_swig_OBMessageHandler_StopErrorWrap ( SEXP self, SEXP s_swig_copy) { bool result;
13096   OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
13097   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13098   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMessageHandler, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13099     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMessageHandler_StopErrorWrap" "', argument " "1"" of type '" "OpenBabel::OBMessageHandler *""'");  }
13100    arg1 = reinterpret_cast< OpenBabel::OBMessageHandler * >(argp1); result = (bool)(arg1)->StopErrorWrap();
13101   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMessageHandler_GetErrorMessageCount(SEXP self,SEXP s_swig_copy)13102 SWIGEXPORT SEXP R_swig_OBMessageHandler_GetErrorMessageCount ( SEXP self, SEXP s_swig_copy) { unsigned int result;
13103   OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
13104   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13105   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMessageHandler, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13106     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMessageHandler_GetErrorMessageCount" "', argument " "1"" of type '" "OpenBabel::OBMessageHandler *""'");  }
13107    arg1 = reinterpret_cast< OpenBabel::OBMessageHandler * >(argp1); result = (unsigned int)(arg1)->GetErrorMessageCount();
13108   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMessageHandler_GetWarningMessageCount(SEXP self,SEXP s_swig_copy)13109 SWIGEXPORT SEXP R_swig_OBMessageHandler_GetWarningMessageCount ( SEXP self, SEXP s_swig_copy) { unsigned int result;
13110   OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
13111   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13112   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMessageHandler, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13113     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMessageHandler_GetWarningMessageCount" "', argument " "1"" of type '" "OpenBabel::OBMessageHandler *""'");  }
13114    arg1 = reinterpret_cast< OpenBabel::OBMessageHandler * >(argp1); result = (unsigned int)(arg1)->GetWarningMessageCount();
13115   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMessageHandler_GetInfoMessageCount(SEXP self,SEXP s_swig_copy)13116 SWIGEXPORT SEXP R_swig_OBMessageHandler_GetInfoMessageCount ( SEXP self, SEXP s_swig_copy) { unsigned int result;
13117   OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
13118   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13119   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMessageHandler, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13120     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMessageHandler_GetInfoMessageCount" "', argument " "1"" of type '" "OpenBabel::OBMessageHandler *""'");  }
13121    arg1 = reinterpret_cast< OpenBabel::OBMessageHandler * >(argp1); result = (unsigned int)(arg1)->GetInfoMessageCount();
13122   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMessageHandler_GetAuditMessageCount(SEXP self,SEXP s_swig_copy)13123 SWIGEXPORT SEXP R_swig_OBMessageHandler_GetAuditMessageCount ( SEXP self, SEXP s_swig_copy) { unsigned int result;
13124   OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
13125   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13126   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMessageHandler, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13127     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMessageHandler_GetAuditMessageCount" "', argument " "1"" of type '" "OpenBabel::OBMessageHandler *""'");  }
13128    arg1 = reinterpret_cast< OpenBabel::OBMessageHandler * >(argp1); result = (unsigned int)(arg1)->GetAuditMessageCount();
13129   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMessageHandler_GetDebugMessageCount(SEXP self,SEXP s_swig_copy)13130 SWIGEXPORT SEXP R_swig_OBMessageHandler_GetDebugMessageCount ( SEXP self, SEXP s_swig_copy) { unsigned int result;
13131   OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
13132   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13133   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMessageHandler, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13134     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMessageHandler_GetDebugMessageCount" "', argument " "1"" of type '" "OpenBabel::OBMessageHandler *""'");  }
13135    arg1 = reinterpret_cast< OpenBabel::OBMessageHandler * >(argp1); result = (unsigned int)(arg1)->GetDebugMessageCount();
13136   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMessageHandler_GetMessageSummary(SEXP self,SEXP s_swig_copy)13137 SWIGEXPORT SEXP R_swig_OBMessageHandler_GetMessageSummary ( SEXP self, SEXP s_swig_copy) { std::string result;
13138   OpenBabel::OBMessageHandler *arg1 = (OpenBabel::OBMessageHandler *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
13139   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13140   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMessageHandler, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13141     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMessageHandler_GetMessageSummary" "', argument " "1"" of type '" "OpenBabel::OBMessageHandler *""'");  }
13142    arg1 = reinterpret_cast< OpenBabel::OBMessageHandler * >(argp1); result = (arg1)->GetMessageSummary();
13143   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
13144   return r_ans; }
R_swig_obErrorLog_set(SEXP s_obErrorLog)13145 SWIGEXPORT SEXP R_swig_obErrorLog_set ( SEXP s_obErrorLog) { OpenBabel::OBMessageHandler *arg1 = 0 ; void *argp1 ;
13146   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13147   res1 = SWIG_R_ConvertPtr(s_obErrorLog, &argp1, SWIGTYPE_p_OpenBabel__OBMessageHandler,  0 ); if (!SWIG_IsOK(res1)) {
13148     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "obErrorLog_set" "', argument " "1"" of type '" "OpenBabel::OBMessageHandler const &""'");  }
13149    if (!argp1) {
13150     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "obErrorLog_set" "', argument " "1"" of type '" "OpenBabel::OBMessageHandler const &""'"); }
13151    arg1 = reinterpret_cast< OpenBabel::OBMessageHandler * >(argp1); OpenBabel::obErrorLog = *arg1; r_ans = R_NilValue;
13152   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_obErrorLog_get(SEXP s_swig_copy)13153 SWIGEXPORT SEXP R_swig_obErrorLog_get ( SEXP s_swig_copy) { OpenBabel::OBMessageHandler *result = 0 ;
13154   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13155   result = (OpenBabel::OBMessageHandler *) &OpenBabel::obErrorLog;
13156   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMessageHandler, R_SWIG_EXTERNAL |  0 );
13157   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_obLogBuf(SEXP self)13158 SWIGEXPORT SEXP R_swig_delete_obLogBuf ( SEXP self) { OpenBabel::obLogBuf *arg1 = (OpenBabel::obLogBuf *) 0 ; void *argp1 = 0 ;
13159   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13160   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__obLogBuf, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
13161     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_obLogBuf" "', argument " "1"" of type '" "OpenBabel::obLogBuf *""'");  }
13162    arg1 = reinterpret_cast< OpenBabel::obLogBuf * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
13163   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_new_obLogBuf()13164 SWIGEXPORT SEXP R_swig_new_obLogBuf ( ) { OpenBabel::obLogBuf *result = 0 ; unsigned int r_nprotect = 0;
13165   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::obLogBuf *)new OpenBabel::obLogBuf();
13166   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__obLogBuf, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
13167   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFormat_Default(SEXP s_swig_copy)13168 SWIGEXPORT SEXP R_swig_OBFormat_Default ( SEXP s_swig_copy) { OpenBabel::OBFormat **result = 0 ; unsigned int r_nprotect = 0;
13169   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBFormat **) &OpenBabel::OBFormat::Default();
13170   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_p_OpenBabel__OBFormat, R_SWIG_EXTERNAL |  0 );
13171   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFormat_FindType(SEXP ID)13172 SWIGEXPORT SEXP R_swig_OBFormat_FindType ( SEXP ID) { OpenBabel::OBFormat *result = 0 ; char *arg1 = (char *) 0 ; int res1 ;
13173   char *buf1 = 0 ; int alloc1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13174   res1 = SWIG_AsCharPtrAndSize(ID, &buf1, NULL, &alloc1); if (!SWIG_IsOK(res1)) {
13175     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFormat_FindType" "', argument " "1"" of type '" "char const *""'"); }
13176    arg1 = reinterpret_cast< char * >(buf1); result = (OpenBabel::OBFormat *)OpenBabel::OBFormat::FindType((char const *)arg1);
13177   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBFormat, R_SWIG_EXTERNAL |  0 );
13178   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFormat_ReadMolecule(SEXP self,SEXP s_arg2,SEXP s_arg3,SEXP s_swig_copy)13179 SWIGEXPORT SEXP R_swig_OBFormat_ReadMolecule ( SEXP self, SEXP s_arg2, SEXP s_arg3, SEXP s_swig_copy) { bool result;
13180   OpenBabel::OBFormat *arg1 = (OpenBabel::OBFormat *) 0 ; OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ;
13181   OpenBabel::OBConversion *arg3 = (OpenBabel::OBConversion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
13182   int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
13183   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFormat, 0 |  0 );
13184   if (!SWIG_IsOK(res1)) {
13185     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFormat_ReadMolecule" "', argument " "1"" of type '" "OpenBabel::OBFormat *""'");  }
13186    arg1 = reinterpret_cast< OpenBabel::OBFormat * >(argp1);
13187   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res2)) {
13188     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBFormat_ReadMolecule" "', argument " "2"" of type '" "OpenBabel::OBBase *""'");  }
13189    arg2 = reinterpret_cast< OpenBabel::OBBase * >(argp2);
13190   res3 = SWIG_R_ConvertPtr(s_arg3, &argp3, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res3)) {
13191     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBFormat_ReadMolecule" "', argument " "3"" of type '" "OpenBabel::OBConversion *""'");  }
13192    arg3 = reinterpret_cast< OpenBabel::OBConversion * >(argp3); result = (bool)(arg1)->ReadMolecule(arg2,arg3);
13193   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFormat_ReadChemObject(SEXP self,SEXP s_arg2,SEXP s_swig_copy)13194 SWIGEXPORT SEXP R_swig_OBFormat_ReadChemObject ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
13195   OpenBabel::OBFormat *arg1 = (OpenBabel::OBFormat *) 0 ; OpenBabel::OBConversion *arg2 = (OpenBabel::OBConversion *) 0 ;
13196   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
13197   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFormat, 0 |  0 );
13198   if (!SWIG_IsOK(res1)) {
13199     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFormat_ReadChemObject" "', argument " "1"" of type '" "OpenBabel::OBFormat *""'");  }
13200    arg1 = reinterpret_cast< OpenBabel::OBFormat * >(argp1);
13201   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res2)) {
13202     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBFormat_ReadChemObject" "', argument " "2"" of type '" "OpenBabel::OBConversion *""'");  }
13203    arg2 = reinterpret_cast< OpenBabel::OBConversion * >(argp2); result = (bool)(arg1)->ReadChemObject(arg2);
13204   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFormat_WriteMolecule(SEXP self,SEXP s_arg2,SEXP s_arg3,SEXP s_swig_copy)13205 SWIGEXPORT SEXP R_swig_OBFormat_WriteMolecule ( SEXP self, SEXP s_arg2, SEXP s_arg3, SEXP s_swig_copy) { bool result;
13206   OpenBabel::OBFormat *arg1 = (OpenBabel::OBFormat *) 0 ; OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ;
13207   OpenBabel::OBConversion *arg3 = (OpenBabel::OBConversion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
13208   int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
13209   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFormat, 0 |  0 );
13210   if (!SWIG_IsOK(res1)) {
13211     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFormat_WriteMolecule" "', argument " "1"" of type '" "OpenBabel::OBFormat *""'");  }
13212    arg1 = reinterpret_cast< OpenBabel::OBFormat * >(argp1);
13213   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res2)) {
13214     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBFormat_WriteMolecule" "', argument " "2"" of type '" "OpenBabel::OBBase *""'");  }
13215    arg2 = reinterpret_cast< OpenBabel::OBBase * >(argp2);
13216   res3 = SWIG_R_ConvertPtr(s_arg3, &argp3, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res3)) {
13217     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBFormat_WriteMolecule" "', argument " "3"" of type '" "OpenBabel::OBConversion *""'");  }
13218    arg3 = reinterpret_cast< OpenBabel::OBConversion * >(argp3); result = (bool)(arg1)->WriteMolecule(arg2,arg3);
13219   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFormat_WriteChemObject(SEXP self,SEXP s_arg2,SEXP s_swig_copy)13220 SWIGEXPORT SEXP R_swig_OBFormat_WriteChemObject ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
13221   OpenBabel::OBFormat *arg1 = (OpenBabel::OBFormat *) 0 ; OpenBabel::OBConversion *arg2 = (OpenBabel::OBConversion *) 0 ;
13222   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
13223   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFormat, 0 |  0 );
13224   if (!SWIG_IsOK(res1)) {
13225     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFormat_WriteChemObject" "', argument " "1"" of type '" "OpenBabel::OBFormat *""'");  }
13226    arg1 = reinterpret_cast< OpenBabel::OBFormat * >(argp1);
13227   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res2)) {
13228     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBFormat_WriteChemObject" "', argument " "2"" of type '" "OpenBabel::OBConversion *""'");  }
13229    arg2 = reinterpret_cast< OpenBabel::OBConversion * >(argp2); result = (bool)(arg1)->WriteChemObject(arg2);
13230   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFormat_TargetClassDescription(SEXP self)13231 SWIGEXPORT SEXP R_swig_OBFormat_TargetClassDescription ( SEXP self) { char *result = 0 ;
13232   OpenBabel::OBFormat *arg1 = (OpenBabel::OBFormat *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
13233   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13234   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFormat, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13235     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFormat_TargetClassDescription" "', argument " "1"" of type '" "OpenBabel::OBFormat *""'");  }
13236    arg1 = reinterpret_cast< OpenBabel::OBFormat * >(argp1); result = (char *)(arg1)->TargetClassDescription();
13237   r_ans = SWIG_FromCharPtr((const char *)result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFormat_GetType(SEXP self,SEXP s_swig_copy)13238 SWIGEXPORT SEXP R_swig_OBFormat_GetType ( SEXP self, SEXP s_swig_copy) { std::type_info *result = 0 ;
13239   OpenBabel::OBFormat *arg1 = (OpenBabel::OBFormat *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
13240   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13241   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFormat, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13242     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFormat_GetType" "', argument " "1"" of type '" "OpenBabel::OBFormat *""'");  }
13243    arg1 = reinterpret_cast< OpenBabel::OBFormat * >(argp1); result = (std::type_info *) &(arg1)->GetType();
13244   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__type_info, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
13245   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFormat_SpecificationURL(SEXP self)13246 SWIGEXPORT SEXP R_swig_OBFormat_SpecificationURL ( SEXP self) { char *result = 0 ;
13247   OpenBabel::OBFormat *arg1 = (OpenBabel::OBFormat *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
13248   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13249   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFormat, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13250     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFormat_SpecificationURL" "', argument " "1"" of type '" "OpenBabel::OBFormat *""'");  }
13251    arg1 = reinterpret_cast< OpenBabel::OBFormat * >(argp1); result = (char *)(arg1)->SpecificationURL();
13252   r_ans = SWIG_FromCharPtr((const char *)result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFormat_GetMIMEType(SEXP self)13253 SWIGEXPORT SEXP R_swig_OBFormat_GetMIMEType ( SEXP self) { char *result = 0 ;
13254   OpenBabel::OBFormat *arg1 = (OpenBabel::OBFormat *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
13255   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13256   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFormat, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13257     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFormat_GetMIMEType" "', argument " "1"" of type '" "OpenBabel::OBFormat *""'");  }
13258    arg1 = reinterpret_cast< OpenBabel::OBFormat * >(argp1); result = (char *)(arg1)->GetMIMEType();
13259   r_ans = SWIG_FromCharPtr((const char *)result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFormat_Flags(SEXP self,SEXP s_swig_copy)13260 SWIGEXPORT SEXP R_swig_OBFormat_Flags ( SEXP self, SEXP s_swig_copy) { unsigned int result;
13261   OpenBabel::OBFormat *arg1 = (OpenBabel::OBFormat *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
13262   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13263   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFormat, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13264     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFormat_Flags" "', argument " "1"" of type '" "OpenBabel::OBFormat *""'");  }
13265    arg1 = reinterpret_cast< OpenBabel::OBFormat * >(argp1); result = (unsigned int)(arg1)->Flags();
13266   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFormat_SkipObjects(SEXP self,SEXP s_arg2,SEXP s_arg3,SEXP s_swig_copy)13267 SWIGEXPORT SEXP R_swig_OBFormat_SkipObjects ( SEXP self, SEXP s_arg2, SEXP s_arg3, SEXP s_swig_copy) { int result;
13268   OpenBabel::OBFormat *arg1 = (OpenBabel::OBFormat *) 0 ; int arg2 ;
13269   OpenBabel::OBConversion *arg3 = (OpenBabel::OBConversion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp3 = 0 ;
13270   int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13271   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFormat, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13272     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFormat_SkipObjects" "', argument " "1"" of type '" "OpenBabel::OBFormat *""'");  }
13273    arg1 = reinterpret_cast< OpenBabel::OBFormat * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
13274   res3 = SWIG_R_ConvertPtr(s_arg3, &argp3, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res3)) {
13275     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBFormat_SkipObjects" "', argument " "3"" of type '" "OpenBabel::OBConversion *""'");  }
13276    arg3 = reinterpret_cast< OpenBabel::OBConversion * >(argp3); result = (int)(arg1)->SkipObjects(arg2,arg3);
13277   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFormat_MakeNewInstance(SEXP self)13278 SWIGEXPORT SEXP R_swig_OBFormat_MakeNewInstance ( SEXP self) { OpenBabel::OBFormat *result = 0 ;
13279   OpenBabel::OBFormat *arg1 = (OpenBabel::OBFormat *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
13280   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13281   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFormat, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13282     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFormat_MakeNewInstance" "', argument " "1"" of type '" "OpenBabel::OBFormat *""'");  }
13283    arg1 = reinterpret_cast< OpenBabel::OBFormat * >(argp1); result = (OpenBabel::OBFormat *)(arg1)->MakeNewInstance();
13284   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBFormat, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
13285   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFormat_RegisterFormat__SWIG_0(SEXP self,SEXP ID,SEXP MIME,SEXP s_swig_copy)13286 SWIGEXPORT SEXP R_swig_OBFormat_RegisterFormat__SWIG_0 ( SEXP self, SEXP ID, SEXP MIME, SEXP s_swig_copy) { int result;
13287   OpenBabel::OBFormat *arg1 = (OpenBabel::OBFormat *) 0 ; char *arg2 = (char *) 0 ; char *arg3 = (char *) 0 ; void *argp1 = 0 ;
13288   int res1 = 0 ; int res2 ; char *buf2 = 0 ; int alloc2 = 0 ; int res3 ; char *buf3 = 0 ; int alloc3 = 0 ;
13289   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13290   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFormat, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13291     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFormat_RegisterFormat" "', argument " "1"" of type '" "OpenBabel::OBFormat *""'");  }
13292    arg1 = reinterpret_cast< OpenBabel::OBFormat * >(argp1); res2 = SWIG_AsCharPtrAndSize(ID, &buf2, NULL, &alloc2);
13293   if (!SWIG_IsOK(res2)) {
13294     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBFormat_RegisterFormat" "', argument " "2"" of type '" "char const *""'"); }
13295    arg2 = reinterpret_cast< char * >(buf2); res3 = SWIG_AsCharPtrAndSize(MIME, &buf3, NULL, &alloc3); if (!SWIG_IsOK(res3)) {
13296     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBFormat_RegisterFormat" "', argument " "3"" of type '" "char const *""'"); }
13297    arg3 = reinterpret_cast< char * >(buf3); result = (int)(arg1)->RegisterFormat((char const *)arg2,(char const *)arg3);
13298   r_ans = Rf_ScalarInteger(result); if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
13299   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFormat_RegisterFormat__SWIG_1(SEXP self,SEXP ID,SEXP s_swig_copy)13300 SWIGEXPORT SEXP R_swig_OBFormat_RegisterFormat__SWIG_1 ( SEXP self, SEXP ID, SEXP s_swig_copy) { int result;
13301   OpenBabel::OBFormat *arg1 = (OpenBabel::OBFormat *) 0 ; char *arg2 = (char *) 0 ; void *argp1 = 0 ; int res1 = 0 ; int res2 ;
13302   char *buf2 = 0 ; int alloc2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13303   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFormat, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13304     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFormat_RegisterFormat" "', argument " "1"" of type '" "OpenBabel::OBFormat *""'");  }
13305    arg1 = reinterpret_cast< OpenBabel::OBFormat * >(argp1); res2 = SWIG_AsCharPtrAndSize(ID, &buf2, NULL, &alloc2);
13306   if (!SWIG_IsOK(res2)) {
13307     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBFormat_RegisterFormat" "', argument " "2"" of type '" "char const *""'"); }
13308    arg2 = reinterpret_cast< char * >(buf2); result = (int)(arg1)->RegisterFormat((char const *)arg2);
13309   r_ans = Rf_ScalarInteger(result); if (alloc2 == SWIG_NEWOBJ) delete[] buf2; vmaxset(r_vmax);
13310   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFormat_Display__SWIG_0(SEXP self,SEXP txt,SEXP param,SEXP ID,SEXP s_swig_copy)13311 SWIGEXPORT SEXP R_swig_OBFormat_Display__SWIG_0 ( SEXP self, SEXP txt, SEXP param, SEXP ID, SEXP s_swig_copy) { bool result;
13312   OpenBabel::OBFormat *arg1 = (OpenBabel::OBFormat *) 0 ; std::string *arg2 = 0 ; char *arg3 = (char *) 0 ;
13313   char *arg4 = (char *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; int res3 ; char *buf3 = 0 ;
13314   int alloc3 = 0 ; int res4 ; char *buf4 = 0 ; int alloc4 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
13315   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFormat, 0 |  0 );
13316   if (!SWIG_IsOK(res1)) {
13317     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFormat_Display" "', argument " "1"" of type '" "OpenBabel::OBFormat *""'");  }
13318    arg1 = reinterpret_cast< OpenBabel::OBFormat * >(argp1); res2 = SWIG_R_ConvertPtr(txt, &argp2, SWIGTYPE_p_std__string,  0 );
13319   if (!SWIG_IsOK(res2)) {
13320     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBFormat_Display" "', argument " "2"" of type '" "std::string &""'");  }
13321    if (!argp2) {
13322     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBFormat_Display" "', argument " "2"" of type '" "std::string &""'"); }
13323    arg2 = reinterpret_cast< std::string * >(argp2); res3 = SWIG_AsCharPtrAndSize(param, &buf3, NULL, &alloc3);
13324   if (!SWIG_IsOK(res3)) {
13325     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBFormat_Display" "', argument " "3"" of type '" "char const *""'"); }
13326    arg3 = reinterpret_cast< char * >(buf3); res4 = SWIG_AsCharPtrAndSize(ID, &buf4, NULL, &alloc4); if (!SWIG_IsOK(res4)) {
13327     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "OBFormat_Display" "', argument " "4"" of type '" "char const *""'"); }
13328    arg4 = reinterpret_cast< char * >(buf4); result = (bool)(arg1)->Display(*arg2,(char const *)arg3,(char const *)arg4);
13329   r_ans = Rf_ScalarLogical(result); if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4;
13330   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFormat_Display__SWIG_1(SEXP self,SEXP txt,SEXP param,SEXP s_swig_copy)13331 SWIGEXPORT SEXP R_swig_OBFormat_Display__SWIG_1 ( SEXP self, SEXP txt, SEXP param, SEXP s_swig_copy) { bool result;
13332   OpenBabel::OBFormat *arg1 = (OpenBabel::OBFormat *) 0 ; std::string *arg2 = 0 ; char *arg3 = (char *) 0 ; void *argp1 = 0 ;
13333   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; int res3 ; char *buf3 = 0 ; int alloc3 = 0 ; unsigned int r_nprotect = 0;
13334   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13335   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFormat, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13336     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFormat_Display" "', argument " "1"" of type '" "OpenBabel::OBFormat *""'");  }
13337    arg1 = reinterpret_cast< OpenBabel::OBFormat * >(argp1); res2 = SWIG_R_ConvertPtr(txt, &argp2, SWIGTYPE_p_std__string,  0 );
13338   if (!SWIG_IsOK(res2)) {
13339     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBFormat_Display" "', argument " "2"" of type '" "std::string &""'");  }
13340    if (!argp2) {
13341     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBFormat_Display" "', argument " "2"" of type '" "std::string &""'"); }
13342    arg2 = reinterpret_cast< std::string * >(argp2); res3 = SWIG_AsCharPtrAndSize(param, &buf3, NULL, &alloc3);
13343   if (!SWIG_IsOK(res3)) {
13344     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBFormat_Display" "', argument " "3"" of type '" "char const *""'"); }
13345    arg3 = reinterpret_cast< char * >(buf3); result = (bool)(arg1)->Display(*arg2,(char const *)arg3);
13346   r_ans = Rf_ScalarLogical(result); if (alloc3 == SWIG_NEWOBJ) delete[] buf3; vmaxset(r_vmax);
13347   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFormat_FormatFromMIME(SEXP MIME)13348 SWIGEXPORT SEXP R_swig_OBFormat_FormatFromMIME ( SEXP MIME) { OpenBabel::OBFormat *result = 0 ; char *arg1 = (char *) 0 ;
13349   int res1 ; char *buf1 = 0 ; int alloc1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
13350   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_AsCharPtrAndSize(MIME, &buf1, NULL, &alloc1); if (!SWIG_IsOK(res1)) {
13351     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFormat_FormatFromMIME" "', argument " "1"" of type '" "char const *""'"); }
13352    arg1 = reinterpret_cast< char * >(buf1);
13353   result = (OpenBabel::OBFormat *)OpenBabel::OBFormat::FormatFromMIME((char const *)arg1);
13354   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBFormat, R_SWIG_EXTERNAL |  0 );
13355   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBFormat(SEXP self)13356 SWIGEXPORT SEXP R_swig_delete_OBFormat ( SEXP self) { OpenBabel::OBFormat *arg1 = (OpenBabel::OBFormat *) 0 ; void *argp1 = 0 ;
13357   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13358   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFormat, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
13359     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBFormat" "', argument " "1"" of type '" "OpenBabel::OBFormat *""'");  }
13360    arg1 = reinterpret_cast< OpenBabel::OBFormat * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
13361   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_new_OBConversion__SWIG_0(SEXP is,SEXP os)13362 SWIGEXPORT SEXP R_swig_new_OBConversion__SWIG_0 ( SEXP is, SEXP os) { OpenBabel::OBConversion *result = 0 ;
13363   std::istream *arg1 = (std::istream *) 0 ; std::ostream *arg2 = (std::ostream *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
13364   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13365   res1 = SWIG_R_ConvertPtr(is, &argp1, SWIGTYPE_p_std__istream, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13366     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBConversion" "', argument " "1"" of type '" "std::istream *""'");  }
13367    arg1 = reinterpret_cast< std::istream * >(argp1); res2 = SWIG_R_ConvertPtr(os, &argp2, SWIGTYPE_p_std__ostream, 0 |  0 );
13368   if (!SWIG_IsOK(res2)) {
13369     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_OBConversion" "', argument " "2"" of type '" "std::ostream *""'");  }
13370    arg2 = reinterpret_cast< std::ostream * >(argp2); result = (OpenBabel::OBConversion *)new OpenBabel::OBConversion(arg1,arg2);
13371   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBConversion, R_SWIG_OWNER |  0 );
13372   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBConversion__SWIG_1(SEXP is)13373 SWIGEXPORT SEXP R_swig_new_OBConversion__SWIG_1 ( SEXP is) { OpenBabel::OBConversion *result = 0 ;
13374   std::istream *arg1 = (std::istream *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
13375   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13376   res1 = SWIG_R_ConvertPtr(is, &argp1, SWIGTYPE_p_std__istream, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13377     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBConversion" "', argument " "1"" of type '" "std::istream *""'");  }
13378    arg1 = reinterpret_cast< std::istream * >(argp1); result = (OpenBabel::OBConversion *)new OpenBabel::OBConversion(arg1);
13379   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBConversion, R_SWIG_OWNER |  0 );
13380   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBConversion__SWIG_2()13381 SWIGEXPORT SEXP R_swig_new_OBConversion__SWIG_2 ( ) { OpenBabel::OBConversion *result = 0 ; unsigned int r_nprotect = 0;
13382   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBConversion *)new OpenBabel::OBConversion();
13383   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBConversion, R_SWIG_OWNER |  0 );
13384   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBConversion__SWIG_3(SEXP o)13385 SWIGEXPORT SEXP R_swig_new_OBConversion__SWIG_3 ( SEXP o) { OpenBabel::OBConversion *result = 0 ;
13386   OpenBabel::OBConversion *arg1 = 0 ; void *argp1 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
13387   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(o, &argp1, SWIGTYPE_p_OpenBabel__OBConversion,  0 );
13388   if (!SWIG_IsOK(res1)) {
13389     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBConversion" "', argument " "1"" of type '" "OpenBabel::OBConversion const &""'");  }
13390    if (!argp1) {
13391     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBConversion" "', argument " "1"" of type '" "OpenBabel::OBConversion const &""'"); }
13392    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1);
13393   result = (OpenBabel::OBConversion *)new OpenBabel::OBConversion((OpenBabel::OBConversion const &)*arg1);
13394   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBConversion, R_SWIG_OWNER |  0 );
13395   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBConversion(SEXP self)13396 SWIGEXPORT SEXP R_swig_delete_OBConversion ( SEXP self) { OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ;
13397   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13398   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
13399     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBConversion" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
13400    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
13401   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBConversion_RegisterFormat__SWIG_0(SEXP ID,SEXP pFormat,SEXP MIME,SEXP s_swig_copy)13402 SWIGEXPORT SEXP R_swig_OBConversion_RegisterFormat__SWIG_0 ( SEXP ID, SEXP pFormat, SEXP MIME, SEXP s_swig_copy) { int result;
13403   char *arg1 = (char *) 0 ; OpenBabel::OBFormat *arg2 = (OpenBabel::OBFormat *) 0 ; char *arg3 = (char *) 0 ; int res1 ;
13404   char *buf1 = 0 ; int alloc1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; int res3 ; char *buf3 = 0 ; int alloc3 = 0 ;
13405   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13406   res1 = SWIG_AsCharPtrAndSize(ID, &buf1, NULL, &alloc1); if (!SWIG_IsOK(res1)) {
13407     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_RegisterFormat" "', argument " "1"" of type '" "char const *""'"); }
13408    arg1 = reinterpret_cast< char * >(buf1); res2 = SWIG_R_ConvertPtr(pFormat, &argp2, SWIGTYPE_p_OpenBabel__OBFormat, 0 |  0 );
13409   if (!SWIG_IsOK(res2)) {
13410     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConversion_RegisterFormat" "', argument " "2"" of type '" "OpenBabel::OBFormat *""'");  }
13411    arg2 = reinterpret_cast< OpenBabel::OBFormat * >(argp2); res3 = SWIG_AsCharPtrAndSize(MIME, &buf3, NULL, &alloc3);
13412   if (!SWIG_IsOK(res3)) {
13413     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBConversion_RegisterFormat" "', argument " "3"" of type '" "char const *""'"); }
13414    arg3 = reinterpret_cast< char * >(buf3);
13415   result = (int)OpenBabel::OBConversion::RegisterFormat((char const *)arg1,arg2,(char const *)arg3);
13416   r_ans = Rf_ScalarInteger(result); if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
13417   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_RegisterFormat__SWIG_1(SEXP ID,SEXP pFormat,SEXP s_swig_copy)13418 SWIGEXPORT SEXP R_swig_OBConversion_RegisterFormat__SWIG_1 ( SEXP ID, SEXP pFormat, SEXP s_swig_copy) { int result;
13419   char *arg1 = (char *) 0 ; OpenBabel::OBFormat *arg2 = (OpenBabel::OBFormat *) 0 ; int res1 ; char *buf1 = 0 ; int alloc1 = 0 ;
13420   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13421   res1 = SWIG_AsCharPtrAndSize(ID, &buf1, NULL, &alloc1); if (!SWIG_IsOK(res1)) {
13422     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_RegisterFormat" "', argument " "1"" of type '" "char const *""'"); }
13423    arg1 = reinterpret_cast< char * >(buf1); res2 = SWIG_R_ConvertPtr(pFormat, &argp2, SWIGTYPE_p_OpenBabel__OBFormat, 0 |  0 );
13424   if (!SWIG_IsOK(res2)) {
13425     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConversion_RegisterFormat" "', argument " "2"" of type '" "OpenBabel::OBFormat *""'");  }
13426    arg2 = reinterpret_cast< OpenBabel::OBFormat * >(argp2);
13427   result = (int)OpenBabel::OBConversion::RegisterFormat((char const *)arg1,arg2); r_ans = Rf_ScalarInteger(result);
13428   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_FindFormat(SEXP ID)13429 SWIGEXPORT SEXP R_swig_OBConversion_FindFormat ( SEXP ID) { OpenBabel::OBFormat *result = 0 ; std::string arg1 ;
13430   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; { std::string *ptr = (std::string *)0;
13431     int res = SWIG_AsPtr_std_string(ID, &ptr); if (!SWIG_IsOK(res) || !ptr) {
13432       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBConversion_FindFormat" "', argument " "1"" of type '" "std::string const""'");  }
13433      arg1 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }
13434   result = (OpenBabel::OBFormat *)OpenBabel::OBConversion::FindFormat(arg1);
13435   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBFormat, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
13436   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_FormatFromExt(SEXP filename)13437 SWIGEXPORT SEXP R_swig_OBConversion_FormatFromExt ( SEXP filename) { OpenBabel::OBFormat *result = 0 ; std::string arg1 ;
13438   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; { std::string *ptr = (std::string *)0;
13439     int res = SWIG_AsPtr_std_string(filename, &ptr); if (!SWIG_IsOK(res) || !ptr) {
13440       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBConversion_FormatFromExt" "', argument " "1"" of type '" "std::string const""'");  }
13441      arg1 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }
13442   result = (OpenBabel::OBFormat *)OpenBabel::OBConversion::FormatFromExt(arg1);
13443   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBFormat, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
13444   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_FormatFromMIME(SEXP MIME)13445 SWIGEXPORT SEXP R_swig_OBConversion_FormatFromMIME ( SEXP MIME) { OpenBabel::OBFormat *result = 0 ; char *arg1 = (char *) 0 ;
13446   int res1 ; char *buf1 = 0 ; int alloc1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
13447   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_AsCharPtrAndSize(MIME, &buf1, NULL, &alloc1); if (!SWIG_IsOK(res1)) {
13448     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_FormatFromMIME" "', argument " "1"" of type '" "char const *""'"); }
13449    arg1 = reinterpret_cast< char * >(buf1);
13450   result = (OpenBabel::OBFormat *)OpenBabel::OBConversion::FormatFromMIME((char const *)arg1);
13451   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBFormat, R_SWIG_EXTERNAL |  0 );
13452   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_GetNextFormat(SEXP itr,SEXP str,SEXP pFormat,SEXP s_swig_copy)13453 SWIGEXPORT SEXP R_swig_OBConversion_GetNextFormat ( SEXP itr, SEXP str, SEXP pFormat, SEXP s_swig_copy) { bool result;
13454   OpenBabel::Formatpos *arg1 = 0 ; char **arg2 = 0 ; OpenBabel::OBFormat **arg3 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
13455   int res2 ; char *buf2 = 0 ; int alloc2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0;
13456   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13457   res1 = SWIG_R_ConvertPtr(itr, &argp1, SWIGTYPE_p_OpenBabel__OBPlugin__PluginMapType__const_iterator,  0 );
13458   if (!SWIG_IsOK(res1)) {
13459     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_GetNextFormat" "', argument " "1"" of type '" "OpenBabel::Formatpos &""'");  }
13460    if (!argp1) {
13461     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBConversion_GetNextFormat" "', argument " "1"" of type '" "OpenBabel::Formatpos &""'"); }
13462    arg1 = reinterpret_cast< OpenBabel::Formatpos * >(argp1); res2 = SWIG_AsCharPtrAndSize(str, &buf2, NULL, &alloc2);
13463   if (!SWIG_IsOK(res2)) {
13464     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConversion_GetNextFormat" "', argument " "2"" of type '" "char const *&""'"); }
13465    arg2 = &buf2; res3 = SWIG_R_ConvertPtr(pFormat, &argp3, SWIGTYPE_p_p_OpenBabel__OBFormat,  0 ); if (!SWIG_IsOK(res3)) {
13466     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBConversion_GetNextFormat" "', argument " "3"" of type '" "OpenBabel::OBFormat *&""'");  }
13467    if (!argp3) {
13468     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBConversion_GetNextFormat" "', argument " "3"" of type '" "OpenBabel::OBFormat *&""'"); }
13469    arg3 = reinterpret_cast< OpenBabel::OBFormat ** >(argp3);
13470   result = (bool)OpenBabel::OBConversion::GetNextFormat(*arg1,(char const *&)*arg2,*arg3); r_ans = Rf_ScalarLogical(result);
13471   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_Description()13472 SWIGEXPORT SEXP R_swig_OBConversion_Description ( ) { char *result = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
13473   VMAXTYPE r_vmax = vmaxget() ; result = (char *)OpenBabel::OBConversion::Description();
13474   r_ans = SWIG_FromCharPtr((const char *)result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_GetInStream(SEXP self)13475 SWIGEXPORT SEXP R_swig_OBConversion_GetInStream ( SEXP self) { std::istream *result = 0 ;
13476   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
13477   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13478   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13479     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_GetInStream" "', argument " "1"" of type '" "OpenBabel::OBConversion const *""'");  }
13480    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1);
13481   result = (std::istream *)((OpenBabel::OBConversion const *)arg1)->GetInStream();
13482   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__istream, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
13483   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_GetOutStream(SEXP self)13484 SWIGEXPORT SEXP R_swig_OBConversion_GetOutStream ( SEXP self) { std::ostream *result = 0 ;
13485   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
13486   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13487   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13488     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_GetOutStream" "', argument " "1"" of type '" "OpenBabel::OBConversion const *""'");  }
13489    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1);
13490   result = (std::ostream *)((OpenBabel::OBConversion const *)arg1)->GetOutStream();
13491   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__ostream, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
13492   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_SetInStream(SEXP self,SEXP pIn)13493 SWIGEXPORT SEXP R_swig_OBConversion_SetInStream ( SEXP self, SEXP pIn) {
13494   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; std::istream *arg2 = (std::istream *) 0 ; void *argp1 = 0 ;
13495   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
13496   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 );
13497   if (!SWIG_IsOK(res1)) {
13498     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_SetInStream" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
13499    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1);
13500   res2 = SWIG_R_ConvertPtr(pIn, &argp2, SWIGTYPE_p_std__istream, 0 |  0 ); if (!SWIG_IsOK(res2)) {
13501     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConversion_SetInStream" "', argument " "2"" of type '" "std::istream *""'");  }
13502    arg2 = reinterpret_cast< std::istream * >(argp2); (arg1)->SetInStream(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
13503   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_SetOutStream(SEXP self,SEXP pOut)13504 SWIGEXPORT SEXP R_swig_OBConversion_SetOutStream ( SEXP self, SEXP pOut) {
13505   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; std::ostream *arg2 = (std::ostream *) 0 ; void *argp1 = 0 ;
13506   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
13507   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 );
13508   if (!SWIG_IsOK(res1)) {
13509     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_SetOutStream" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
13510    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1);
13511   res2 = SWIG_R_ConvertPtr(pOut, &argp2, SWIGTYPE_p_std__ostream, 0 |  0 ); if (!SWIG_IsOK(res2)) {
13512     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConversion_SetOutStream" "', argument " "2"" of type '" "std::ostream *""'");  }
13513    arg2 = reinterpret_cast< std::ostream * >(argp2); (arg1)->SetOutStream(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
13514   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_SetInAndOutFormats__SWIG_0(SEXP self,SEXP inID,SEXP outID,SEXP s_swig_copy)13515 SWIGEXPORT SEXP R_swig_OBConversion_SetInAndOutFormats__SWIG_0 ( SEXP self, SEXP inID, SEXP outID, SEXP s_swig_copy) {
13516   bool result; OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; char *arg2 = (char *) 0 ;
13517   char *arg3 = (char *) 0 ; void *argp1 = 0 ; int res1 = 0 ; int res2 ; char *buf2 = 0 ; int alloc2 = 0 ; int res3 ;
13518   char *buf3 = 0 ; int alloc3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13519   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13520     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_SetInAndOutFormats" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
13521    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1); res2 = SWIG_AsCharPtrAndSize(inID, &buf2, NULL, &alloc2);
13522   if (!SWIG_IsOK(res2)) {
13523     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConversion_SetInAndOutFormats" "', argument " "2"" of type '" "char const *""'"); }
13524    arg2 = reinterpret_cast< char * >(buf2); res3 = SWIG_AsCharPtrAndSize(outID, &buf3, NULL, &alloc3); if (!SWIG_IsOK(res3)) {
13525     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBConversion_SetInAndOutFormats" "', argument " "3"" of type '" "char const *""'"); }
13526    arg3 = reinterpret_cast< char * >(buf3); result = (bool)(arg1)->SetInAndOutFormats((char const *)arg2,(char const *)arg3);
13527   r_ans = Rf_ScalarLogical(result); if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
13528   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_SetInAndOutFormats__SWIG_1(SEXP self,SEXP pIn,SEXP pOut,SEXP s_swig_copy)13529 SWIGEXPORT SEXP R_swig_OBConversion_SetInAndOutFormats__SWIG_1 ( SEXP self, SEXP pIn, SEXP pOut, SEXP s_swig_copy) {
13530   bool result; OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ;
13531   OpenBabel::OBFormat *arg2 = (OpenBabel::OBFormat *) 0 ; OpenBabel::OBFormat *arg3 = (OpenBabel::OBFormat *) 0 ;
13532   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ;
13533   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13534   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13535     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_SetInAndOutFormats" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
13536    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1);
13537   res2 = SWIG_R_ConvertPtr(pIn, &argp2, SWIGTYPE_p_OpenBabel__OBFormat, 0 |  0 ); if (!SWIG_IsOK(res2)) {
13538     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConversion_SetInAndOutFormats" "', argument " "2"" of type '" "OpenBabel::OBFormat *""'");  }
13539    arg2 = reinterpret_cast< OpenBabel::OBFormat * >(argp2);
13540   res3 = SWIG_R_ConvertPtr(pOut, &argp3, SWIGTYPE_p_OpenBabel__OBFormat, 0 |  0 ); if (!SWIG_IsOK(res3)) {
13541     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBConversion_SetInAndOutFormats" "', argument " "3"" of type '" "OpenBabel::OBFormat *""'");  }
13542    arg3 = reinterpret_cast< OpenBabel::OBFormat * >(argp3); result = (bool)(arg1)->SetInAndOutFormats(arg2,arg3);
13543   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_SetInFormat__SWIG_0(SEXP self,SEXP inID,SEXP s_swig_copy)13544 SWIGEXPORT SEXP R_swig_OBConversion_SetInFormat__SWIG_0 ( SEXP self, SEXP inID, SEXP s_swig_copy) { bool result;
13545   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; char *arg2 = (char *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
13546   int res2 ; char *buf2 = 0 ; int alloc2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
13547   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 );
13548   if (!SWIG_IsOK(res1)) {
13549     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_SetInFormat" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
13550    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1); res2 = SWIG_AsCharPtrAndSize(inID, &buf2, NULL, &alloc2);
13551   if (!SWIG_IsOK(res2)) {
13552     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConversion_SetInFormat" "', argument " "2"" of type '" "char const *""'"); }
13553    arg2 = reinterpret_cast< char * >(buf2); result = (bool)(arg1)->SetInFormat((char const *)arg2);
13554   r_ans = Rf_ScalarLogical(result); if (alloc2 == SWIG_NEWOBJ) delete[] buf2; vmaxset(r_vmax);
13555   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_SetInFormat__SWIG_1(SEXP self,SEXP pIn,SEXP s_swig_copy)13556 SWIGEXPORT SEXP R_swig_OBConversion_SetInFormat__SWIG_1 ( SEXP self, SEXP pIn, SEXP s_swig_copy) { bool result;
13557   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; OpenBabel::OBFormat *arg2 = (OpenBabel::OBFormat *) 0 ;
13558   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
13559   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 );
13560   if (!SWIG_IsOK(res1)) {
13561     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_SetInFormat" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
13562    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1);
13563   res2 = SWIG_R_ConvertPtr(pIn, &argp2, SWIGTYPE_p_OpenBabel__OBFormat, 0 |  0 ); if (!SWIG_IsOK(res2)) {
13564     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConversion_SetInFormat" "', argument " "2"" of type '" "OpenBabel::OBFormat *""'");  }
13565    arg2 = reinterpret_cast< OpenBabel::OBFormat * >(argp2); result = (bool)(arg1)->SetInFormat(arg2);
13566   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_SetOutFormat__SWIG_0(SEXP self,SEXP outID,SEXP s_swig_copy)13567 SWIGEXPORT SEXP R_swig_OBConversion_SetOutFormat__SWIG_0 ( SEXP self, SEXP outID, SEXP s_swig_copy) { bool result;
13568   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; char *arg2 = (char *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
13569   int res2 ; char *buf2 = 0 ; int alloc2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
13570   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 );
13571   if (!SWIG_IsOK(res1)) {
13572     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_SetOutFormat" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
13573    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1); res2 = SWIG_AsCharPtrAndSize(outID, &buf2, NULL, &alloc2);
13574   if (!SWIG_IsOK(res2)) {
13575     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConversion_SetOutFormat" "', argument " "2"" of type '" "char const *""'"); }
13576    arg2 = reinterpret_cast< char * >(buf2); result = (bool)(arg1)->SetOutFormat((char const *)arg2);
13577   r_ans = Rf_ScalarLogical(result); if (alloc2 == SWIG_NEWOBJ) delete[] buf2; vmaxset(r_vmax);
13578   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_SetOutFormat__SWIG_1(SEXP self,SEXP pOut,SEXP s_swig_copy)13579 SWIGEXPORT SEXP R_swig_OBConversion_SetOutFormat__SWIG_1 ( SEXP self, SEXP pOut, SEXP s_swig_copy) { bool result;
13580   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; OpenBabel::OBFormat *arg2 = (OpenBabel::OBFormat *) 0 ;
13581   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
13582   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 );
13583   if (!SWIG_IsOK(res1)) {
13584     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_SetOutFormat" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
13585    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1);
13586   res2 = SWIG_R_ConvertPtr(pOut, &argp2, SWIGTYPE_p_OpenBabel__OBFormat, 0 |  0 ); if (!SWIG_IsOK(res2)) {
13587     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConversion_SetOutFormat" "', argument " "2"" of type '" "OpenBabel::OBFormat *""'");  }
13588    arg2 = reinterpret_cast< OpenBabel::OBFormat * >(argp2); result = (bool)(arg1)->SetOutFormat(arg2);
13589   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_GetInFormat(SEXP self)13590 SWIGEXPORT SEXP R_swig_OBConversion_GetInFormat ( SEXP self) { OpenBabel::OBFormat *result = 0 ;
13591   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
13592   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13593   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13594     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_GetInFormat" "', argument " "1"" of type '" "OpenBabel::OBConversion const *""'");  }
13595    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1);
13596   result = (OpenBabel::OBFormat *)((OpenBabel::OBConversion const *)arg1)->GetInFormat();
13597   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBFormat, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
13598   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_GetOutFormat(SEXP self)13599 SWIGEXPORT SEXP R_swig_OBConversion_GetOutFormat ( SEXP self) { OpenBabel::OBFormat *result = 0 ;
13600   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
13601   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13602   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13603     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_GetOutFormat" "', argument " "1"" of type '" "OpenBabel::OBConversion const *""'");  }
13604    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1);
13605   result = (OpenBabel::OBFormat *)((OpenBabel::OBConversion const *)arg1)->GetOutFormat();
13606   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBFormat, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
13607   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_GetInFilename(SEXP self,SEXP s_swig_copy)13608 SWIGEXPORT SEXP R_swig_OBConversion_GetInFilename ( SEXP self, SEXP s_swig_copy) { std::string result;
13609   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
13610   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13611   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13612     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_GetInFilename" "', argument " "1"" of type '" "OpenBabel::OBConversion const *""'");  }
13613    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1);
13614   result = ((OpenBabel::OBConversion const *)arg1)->GetInFilename();
13615   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
13616   return r_ans; }
R_swig_OBConversion_GetOutFilename(SEXP self,SEXP s_swig_copy)13617 SWIGEXPORT SEXP R_swig_OBConversion_GetOutFilename ( SEXP self, SEXP s_swig_copy) { std::string result;
13618   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
13619   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13620   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13621     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_GetOutFilename" "', argument " "1"" of type '" "OpenBabel::OBConversion const *""'");  }
13622    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1);
13623   result = ((OpenBabel::OBConversion const *)arg1)->GetOutFilename();
13624   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
13625   return r_ans; }
R_swig_OBConversion_GetInPos(SEXP self,SEXP s_swig_copy)13626 SWIGEXPORT SEXP R_swig_OBConversion_GetInPos ( SEXP self, SEXP s_swig_copy) { std::streampos result;
13627   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
13628   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13629   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13630     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_GetInPos" "', argument " "1"" of type '" "OpenBabel::OBConversion const *""'");  }
13631    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1); result = ((OpenBabel::OBConversion const *)arg1)->GetInPos();
13632   r_ans = SWIG_R_NewPointerObj((new std::streampos(static_cast< const std::streampos& >(result))), SWIGTYPE_p_std__streampos, SWIG_POINTER_OWN |  0 );
13633   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_GetInLen(SEXP self,SEXP s_swig_copy)13634 SWIGEXPORT SEXP R_swig_OBConversion_GetInLen ( SEXP self, SEXP s_swig_copy) { size_t result;
13635   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
13636   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13637   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13638     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_GetInLen" "', argument " "1"" of type '" "OpenBabel::OBConversion const *""'");  }
13639    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1); result = ((OpenBabel::OBConversion const *)arg1)->GetInLen();
13640   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_GetTitle(SEXP self)13641 SWIGEXPORT SEXP R_swig_OBConversion_GetTitle ( SEXP self) { char *result = 0 ;
13642   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
13643   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13644   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13645     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_GetTitle" "', argument " "1"" of type '" "OpenBabel::OBConversion const *""'");  }
13646    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1);
13647   result = (char *)((OpenBabel::OBConversion const *)arg1)->GetTitle(); r_ans = SWIG_FromCharPtr((const char *)result);
13648   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_GetAuxConv(SEXP self)13649 SWIGEXPORT SEXP R_swig_OBConversion_GetAuxConv ( SEXP self) { OpenBabel::OBConversion *result = 0 ;
13650   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
13651   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13652   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13653     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_GetAuxConv" "', argument " "1"" of type '" "OpenBabel::OBConversion const *""'");  }
13654    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1);
13655   result = (OpenBabel::OBConversion *)((OpenBabel::OBConversion const *)arg1)->GetAuxConv();
13656   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBConversion, R_SWIG_EXTERNAL |  0 );
13657   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_SetAuxConv(SEXP self,SEXP pConv)13658 SWIGEXPORT SEXP R_swig_OBConversion_SetAuxConv ( SEXP self, SEXP pConv) {
13659   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ;
13660   OpenBabel::OBConversion *arg2 = (OpenBabel::OBConversion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
13661   int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13662   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13663     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_SetAuxConv" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
13664    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1);
13665   res2 = SWIG_R_ConvertPtr(pConv, &argp2, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res2)) {
13666     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConversion_SetAuxConv" "', argument " "2"" of type '" "OpenBabel::OBConversion *""'");  }
13667    arg2 = reinterpret_cast< OpenBabel::OBConversion * >(argp2); (arg1)->SetAuxConv(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
13668   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_IsOption__SWIG_0(SEXP self,SEXP opt,SEXP opttyp)13669 SWIGEXPORT SEXP R_swig_OBConversion_IsOption__SWIG_0 ( SEXP self, SEXP opt, SEXP opttyp) { char *result = 0 ;
13670   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; char *arg2 = (char *) 0 ;
13671   OpenBabel::OBConversion::Option_type arg3 ; void *argp1 = 0 ; int res1 = 0 ; int res2 ; char *buf2 = 0 ; int alloc2 = 0 ;
13672   int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13673   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13674     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_IsOption" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
13675    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1); res2 = SWIG_AsCharPtrAndSize(opt, &buf2, NULL, &alloc2);
13676   if (!SWIG_IsOK(res2)) {
13677     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConversion_IsOption" "', argument " "2"" of type '" "char const *""'"); }
13678    arg2 = reinterpret_cast< char * >(buf2); ecode3 = SWIG_AsVal_int(opttyp, &val3); if (!SWIG_IsOK(ecode3)) {
13679     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "OBConversion_IsOption" "', argument " "3"" of type '" "OpenBabel::OBConversion::Option_type""'"); }
13680     arg3 = static_cast< OpenBabel::OBConversion::Option_type >(val3);
13681   result = (char *)(arg1)->IsOption((char const *)arg2,arg3); r_ans = SWIG_FromCharPtr((const char *)result);
13682   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_IsOption__SWIG_1(SEXP self,SEXP opt)13683 SWIGEXPORT SEXP R_swig_OBConversion_IsOption__SWIG_1 ( SEXP self, SEXP opt) { char *result = 0 ;
13684   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; char *arg2 = (char *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
13685   int res2 ; char *buf2 = 0 ; int alloc2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
13686   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 );
13687   if (!SWIG_IsOK(res1)) {
13688     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_IsOption" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
13689    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1); res2 = SWIG_AsCharPtrAndSize(opt, &buf2, NULL, &alloc2);
13690   if (!SWIG_IsOK(res2)) {
13691     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConversion_IsOption" "', argument " "2"" of type '" "char const *""'"); }
13692    arg2 = reinterpret_cast< char * >(buf2); result = (char *)(arg1)->IsOption((char const *)arg2);
13693   r_ans = SWIG_FromCharPtr((const char *)result); if (alloc2 == SWIG_NEWOBJ) delete[] buf2; vmaxset(r_vmax);
13694   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_GetOptions(SEXP self,SEXP opttyp)13695 SWIGEXPORT SEXP R_swig_OBConversion_GetOptions ( SEXP self, SEXP opttyp) {
13696   std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > *result = 0 ;
13697   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; OpenBabel::OBConversion::Option_type arg2 ; void *argp1 = 0 ;
13698   int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
13699   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 );
13700   if (!SWIG_IsOK(res1)) {
13701     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_GetOptions" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
13702    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1); ecode2 = SWIG_AsVal_int(opttyp, &val2);
13703   if (!SWIG_IsOK(ecode2)) {
13704     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBConversion_GetOptions" "', argument " "2"" of type '" "OpenBabel::OBConversion::Option_type""'"); }
13705     arg2 = static_cast< OpenBabel::OBConversion::Option_type >(val2);
13706   result = (std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > *)(arg1)->GetOptions(arg2);
13707   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__mapT_std__string_std__string_std__lessT_std__string_t_std__allocatorT_std__pairT_std__string_const_std__string_t_t_t, R_SWIG_EXTERNAL |  0 );
13708   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_AddOption__SWIG_0(SEXP self,SEXP opt,SEXP opttyp,SEXP txt)13709 SWIGEXPORT SEXP R_swig_OBConversion_AddOption__SWIG_0 ( SEXP self, SEXP opt, SEXP opttyp, SEXP txt) {
13710   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; char *arg2 = (char *) 0 ;
13711   OpenBabel::OBConversion::Option_type arg3 ; char *arg4 = (char *) 0 ; void *argp1 = 0 ; int res1 = 0 ; int res2 ;
13712   char *buf2 = 0 ; int alloc2 = 0 ; int val3 ; int ecode3 = 0 ; int res4 ; char *buf4 = 0 ; int alloc4 = 0 ;
13713   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13714   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13715     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_AddOption" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
13716    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1); res2 = SWIG_AsCharPtrAndSize(opt, &buf2, NULL, &alloc2);
13717   if (!SWIG_IsOK(res2)) {
13718     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConversion_AddOption" "', argument " "2"" of type '" "char const *""'"); }
13719    arg2 = reinterpret_cast< char * >(buf2); ecode3 = SWIG_AsVal_int(opttyp, &val3); if (!SWIG_IsOK(ecode3)) {
13720     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "OBConversion_AddOption" "', argument " "3"" of type '" "OpenBabel::OBConversion::Option_type""'"); }
13721     arg3 = static_cast< OpenBabel::OBConversion::Option_type >(val3); res4 = SWIG_AsCharPtrAndSize(txt, &buf4, NULL, &alloc4);
13722   if (!SWIG_IsOK(res4)) {
13723     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "OBConversion_AddOption" "', argument " "4"" of type '" "char const *""'"); }
13724    arg4 = reinterpret_cast< char * >(buf4); (arg1)->AddOption((char const *)arg2,arg3,(char const *)arg4); r_ans = R_NilValue;
13725   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; vmaxset(r_vmax);
13726   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_AddOption__SWIG_1(SEXP self,SEXP opt,SEXP opttyp)13727 SWIGEXPORT SEXP R_swig_OBConversion_AddOption__SWIG_1 ( SEXP self, SEXP opt, SEXP opttyp) {
13728   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; char *arg2 = (char *) 0 ;
13729   OpenBabel::OBConversion::Option_type arg3 ; void *argp1 = 0 ; int res1 = 0 ; int res2 ; char *buf2 = 0 ; int alloc2 = 0 ;
13730   int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13731   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13732     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_AddOption" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
13733    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1); res2 = SWIG_AsCharPtrAndSize(opt, &buf2, NULL, &alloc2);
13734   if (!SWIG_IsOK(res2)) {
13735     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConversion_AddOption" "', argument " "2"" of type '" "char const *""'"); }
13736    arg2 = reinterpret_cast< char * >(buf2); ecode3 = SWIG_AsVal_int(opttyp, &val3); if (!SWIG_IsOK(ecode3)) {
13737     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "OBConversion_AddOption" "', argument " "3"" of type '" "OpenBabel::OBConversion::Option_type""'"); }
13738     arg3 = static_cast< OpenBabel::OBConversion::Option_type >(val3); (arg1)->AddOption((char const *)arg2,arg3);
13739   r_ans = R_NilValue; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
13740   return r_ans; }
R_swig_OBConversion_AddOption__SWIG_2(SEXP self,SEXP opt)13741 SWIGEXPORT SEXP R_swig_OBConversion_AddOption__SWIG_2 ( SEXP self, SEXP opt) {
13742   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; char *arg2 = (char *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
13743   int res2 ; char *buf2 = 0 ; int alloc2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
13744   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 );
13745   if (!SWIG_IsOK(res1)) {
13746     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_AddOption" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
13747    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1); res2 = SWIG_AsCharPtrAndSize(opt, &buf2, NULL, &alloc2);
13748   if (!SWIG_IsOK(res2)) {
13749     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConversion_AddOption" "', argument " "2"" of type '" "char const *""'"); }
13750    arg2 = reinterpret_cast< char * >(buf2); (arg1)->AddOption((char const *)arg2); r_ans = R_NilValue;
13751   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_RemoveOption(SEXP self,SEXP opt,SEXP optype,SEXP s_swig_copy)13752 SWIGEXPORT SEXP R_swig_OBConversion_RemoveOption ( SEXP self, SEXP opt, SEXP optype, SEXP s_swig_copy) { bool result;
13753   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; char *arg2 = (char *) 0 ;
13754   OpenBabel::OBConversion::Option_type arg3 ; void *argp1 = 0 ; int res1 = 0 ; int res2 ; char *buf2 = 0 ; int alloc2 = 0 ;
13755   int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13756   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13757     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_RemoveOption" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
13758    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1); res2 = SWIG_AsCharPtrAndSize(opt, &buf2, NULL, &alloc2);
13759   if (!SWIG_IsOK(res2)) {
13760     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConversion_RemoveOption" "', argument " "2"" of type '" "char const *""'"); }
13761    arg2 = reinterpret_cast< char * >(buf2); ecode3 = SWIG_AsVal_int(optype, &val3); if (!SWIG_IsOK(ecode3)) {
13762     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "OBConversion_RemoveOption" "', argument " "3"" of type '" "OpenBabel::OBConversion::Option_type""'"); }
13763     arg3 = static_cast< OpenBabel::OBConversion::Option_type >(val3);
13764   result = (bool)(arg1)->RemoveOption((char const *)arg2,arg3); r_ans = Rf_ScalarLogical(result);
13765   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_SetOptions(SEXP self,SEXP options,SEXP opttyp)13766 SWIGEXPORT SEXP R_swig_OBConversion_SetOptions ( SEXP self, SEXP options, SEXP opttyp) {
13767   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; char *arg2 = (char *) 0 ;
13768   OpenBabel::OBConversion::Option_type arg3 ; void *argp1 = 0 ; int res1 = 0 ; int res2 ; char *buf2 = 0 ; int alloc2 = 0 ;
13769   int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13770   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13771     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_SetOptions" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
13772    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1); res2 = SWIG_AsCharPtrAndSize(options, &buf2, NULL, &alloc2);
13773   if (!SWIG_IsOK(res2)) {
13774     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConversion_SetOptions" "', argument " "2"" of type '" "char const *""'"); }
13775    arg2 = reinterpret_cast< char * >(buf2); ecode3 = SWIG_AsVal_int(opttyp, &val3); if (!SWIG_IsOK(ecode3)) {
13776     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "OBConversion_SetOptions" "', argument " "3"" of type '" "OpenBabel::OBConversion::Option_type""'"); }
13777     arg3 = static_cast< OpenBabel::OBConversion::Option_type >(val3); (arg1)->SetOptions((char const *)arg2,arg3);
13778   r_ans = R_NilValue; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
13779   return r_ans; }
R_swig_OBConversion_RegisterOptionParam__SWIG_0(SEXP name,SEXP pFormat,SEXP numberParams,SEXP typ)13780 SWIGEXPORT SEXP R_swig_OBConversion_RegisterOptionParam__SWIG_0 ( SEXP name, SEXP pFormat, SEXP numberParams, SEXP typ) {
13781   std::string arg1 ; OpenBabel::OBFormat *arg2 = (OpenBabel::OBFormat *) 0 ; int arg3 ;
13782   OpenBabel::OBConversion::Option_type arg4 ; void *argp2 = 0 ; int res2 = 0 ; int val4 ; int ecode4 = 0 ;
13783   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; { std::string *ptr = (std::string *)0;
13784     int res = SWIG_AsPtr_std_string(name, &ptr); if (!SWIG_IsOK(res) || !ptr) {
13785       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBConversion_RegisterOptionParam" "', argument " "1"" of type '" "std::string""'");  }
13786      arg1 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }
13787   res2 = SWIG_R_ConvertPtr(pFormat, &argp2, SWIGTYPE_p_OpenBabel__OBFormat, 0 |  0 ); if (!SWIG_IsOK(res2)) {
13788     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConversion_RegisterOptionParam" "', argument " "2"" of type '" "OpenBabel::OBFormat *""'");  }
13789    arg2 = reinterpret_cast< OpenBabel::OBFormat * >(argp2); arg3 = static_cast< int >(INTEGER(numberParams)[0]);
13790   ecode4 = SWIG_AsVal_int(typ, &val4); if (!SWIG_IsOK(ecode4)) {
13791     SWIG_exception_fail(SWIG_ArgError(ecode4), "in method '" "OBConversion_RegisterOptionParam" "', argument " "4"" of type '" "OpenBabel::OBConversion::Option_type""'"); }
13792     arg4 = static_cast< OpenBabel::OBConversion::Option_type >(val4);
13793   OpenBabel::OBConversion::RegisterOptionParam(arg1,arg2,arg3,arg4); r_ans = R_NilValue; vmaxset(r_vmax);
13794   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_RegisterOptionParam__SWIG_1(SEXP name,SEXP pFormat,SEXP numberParams)13795 SWIGEXPORT SEXP R_swig_OBConversion_RegisterOptionParam__SWIG_1 ( SEXP name, SEXP pFormat, SEXP numberParams) {
13796   std::string arg1 ; OpenBabel::OBFormat *arg2 = (OpenBabel::OBFormat *) 0 ; int arg3 ; void *argp2 = 0 ; int res2 = 0 ;
13797   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; { std::string *ptr = (std::string *)0;
13798     int res = SWIG_AsPtr_std_string(name, &ptr); if (!SWIG_IsOK(res) || !ptr) {
13799       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBConversion_RegisterOptionParam" "', argument " "1"" of type '" "std::string""'");  }
13800      arg1 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }
13801   res2 = SWIG_R_ConvertPtr(pFormat, &argp2, SWIGTYPE_p_OpenBabel__OBFormat, 0 |  0 ); if (!SWIG_IsOK(res2)) {
13802     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConversion_RegisterOptionParam" "', argument " "2"" of type '" "OpenBabel::OBFormat *""'");  }
13803    arg2 = reinterpret_cast< OpenBabel::OBFormat * >(argp2); arg3 = static_cast< int >(INTEGER(numberParams)[0]);
13804   OpenBabel::OBConversion::RegisterOptionParam(arg1,arg2,arg3); r_ans = R_NilValue; vmaxset(r_vmax);
13805   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_RegisterOptionParam__SWIG_2(SEXP name,SEXP pFormat)13806 SWIGEXPORT SEXP R_swig_OBConversion_RegisterOptionParam__SWIG_2 ( SEXP name, SEXP pFormat) { std::string arg1 ;
13807   OpenBabel::OBFormat *arg2 = (OpenBabel::OBFormat *) 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0;
13808   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; { std::string *ptr = (std::string *)0;
13809     int res = SWIG_AsPtr_std_string(name, &ptr); if (!SWIG_IsOK(res) || !ptr) {
13810       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBConversion_RegisterOptionParam" "', argument " "1"" of type '" "std::string""'");  }
13811      arg1 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }
13812   res2 = SWIG_R_ConvertPtr(pFormat, &argp2, SWIGTYPE_p_OpenBabel__OBFormat, 0 |  0 ); if (!SWIG_IsOK(res2)) {
13813     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConversion_RegisterOptionParam" "', argument " "2"" of type '" "OpenBabel::OBFormat *""'");  }
13814    arg2 = reinterpret_cast< OpenBabel::OBFormat * >(argp2); OpenBabel::OBConversion::RegisterOptionParam(arg1,arg2);
13815   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_GetOptionParams(SEXP name,SEXP typ,SEXP s_swig_copy)13816 SWIGEXPORT SEXP R_swig_OBConversion_GetOptionParams ( SEXP name, SEXP typ, SEXP s_swig_copy) { int result; std::string arg1 ;
13817   OpenBabel::OBConversion::Option_type arg2 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
13818   VMAXTYPE r_vmax = vmaxget() ; { std::string *ptr = (std::string *)0; int res = SWIG_AsPtr_std_string(name, &ptr);
13819     if (!SWIG_IsOK(res) || !ptr) {
13820       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBConversion_GetOptionParams" "', argument " "1"" of type '" "std::string""'");  }
13821      arg1 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  ecode2 = SWIG_AsVal_int(typ, &val2); if (!SWIG_IsOK(ecode2)) {
13822     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBConversion_GetOptionParams" "', argument " "2"" of type '" "OpenBabel::OBConversion::Option_type""'"); }
13823     arg2 = static_cast< OpenBabel::OBConversion::Option_type >(val2);
13824   result = (int)OpenBabel::OBConversion::GetOptionParams(arg1,arg2); r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax);
13825   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_CopyOptions__SWIG_0(SEXP self,SEXP pSourceConv,SEXP typ)13826 SWIGEXPORT SEXP R_swig_OBConversion_CopyOptions__SWIG_0 ( SEXP self, SEXP pSourceConv, SEXP typ) {
13827   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ;
13828   OpenBabel::OBConversion *arg2 = (OpenBabel::OBConversion *) 0 ; OpenBabel::OBConversion::Option_type arg3 ; void *argp1 = 0 ;
13829   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0;
13830   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13831   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13832     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_CopyOptions" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
13833    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1);
13834   res2 = SWIG_R_ConvertPtr(pSourceConv, &argp2, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res2)) {
13835     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConversion_CopyOptions" "', argument " "2"" of type '" "OpenBabel::OBConversion *""'");  }
13836    arg2 = reinterpret_cast< OpenBabel::OBConversion * >(argp2); ecode3 = SWIG_AsVal_int(typ, &val3); if (!SWIG_IsOK(ecode3)) {
13837     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "OBConversion_CopyOptions" "', argument " "3"" of type '" "OpenBabel::OBConversion::Option_type""'"); }
13838     arg3 = static_cast< OpenBabel::OBConversion::Option_type >(val3); (arg1)->CopyOptions(arg2,arg3); r_ans = R_NilValue;
13839   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_CopyOptions__SWIG_1(SEXP self,SEXP pSourceConv)13840 SWIGEXPORT SEXP R_swig_OBConversion_CopyOptions__SWIG_1 ( SEXP self, SEXP pSourceConv) {
13841   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ;
13842   OpenBabel::OBConversion *arg2 = (OpenBabel::OBConversion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
13843   int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13844   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13845     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_CopyOptions" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
13846    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1);
13847   res2 = SWIG_R_ConvertPtr(pSourceConv, &argp2, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res2)) {
13848     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConversion_CopyOptions" "', argument " "2"" of type '" "OpenBabel::OBConversion *""'");  }
13849    arg2 = reinterpret_cast< OpenBabel::OBConversion * >(argp2); (arg1)->CopyOptions(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
13850   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_GetSupportedInputFormat(SEXP self,SEXP s_swig_copy)13851 SWIGEXPORT SEXP R_swig_OBConversion_GetSupportedInputFormat ( SEXP self, SEXP s_swig_copy) {
13852   std::vector< std::string,std::allocator< std::string > > result;
13853   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
13854   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13855   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13856     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_GetSupportedInputFormat" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
13857    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1); result = (arg1)->GetSupportedInputFormat();
13858   r_ans = swig::from(static_cast< std::vector<std::string,std::allocator< std::string > > >(result)); vmaxset(r_vmax);
13859   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_GetSupportedOutputFormat(SEXP self,SEXP s_swig_copy)13860 SWIGEXPORT SEXP R_swig_OBConversion_GetSupportedOutputFormat ( SEXP self, SEXP s_swig_copy) {
13861   std::vector< std::string,std::allocator< std::string > > result;
13862   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
13863   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13864   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13865     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_GetSupportedOutputFormat" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
13866    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1); result = (arg1)->GetSupportedOutputFormat();
13867   r_ans = swig::from(static_cast< std::vector<std::string,std::allocator< std::string > > >(result)); vmaxset(r_vmax);
13868   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_Convert__SWIG_0(SEXP self,SEXP is,SEXP os,SEXP s_swig_copy)13869 SWIGEXPORT SEXP R_swig_OBConversion_Convert__SWIG_0 ( SEXP self, SEXP is, SEXP os, SEXP s_swig_copy) { int result;
13870   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; std::istream *arg2 = (std::istream *) 0 ;
13871   std::ostream *arg3 = (std::ostream *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ;
13872   int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13873   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13874     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_Convert" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
13875    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1);
13876   res2 = SWIG_R_ConvertPtr(is, &argp2, SWIGTYPE_p_std__istream, 0 |  0 ); if (!SWIG_IsOK(res2)) {
13877     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConversion_Convert" "', argument " "2"" of type '" "std::istream *""'");  }
13878    arg2 = reinterpret_cast< std::istream * >(argp2); res3 = SWIG_R_ConvertPtr(os, &argp3, SWIGTYPE_p_std__ostream, 0 |  0 );
13879   if (!SWIG_IsOK(res3)) {
13880     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBConversion_Convert" "', argument " "3"" of type '" "std::ostream *""'");  }
13881    arg3 = reinterpret_cast< std::ostream * >(argp3); result = (int)(arg1)->Convert(arg2,arg3); r_ans = Rf_ScalarInteger(result);
13882   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_Convert__SWIG_1(SEXP self,SEXP s_swig_copy)13883 SWIGEXPORT SEXP R_swig_OBConversion_Convert__SWIG_1 ( SEXP self, SEXP s_swig_copy) { int result;
13884   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
13885   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13886   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13887     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_Convert" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
13888    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1); result = (int)(arg1)->Convert();
13889   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
13890 SWIGEXPORT SEXP
R_swig_OBConversion_FullConvert(SEXP self,SEXP FileList,SEXP OutputFileName,SEXP OutputFileList,SEXP s_swig_copy)13891 R_swig_OBConversion_FullConvert ( SEXP self, SEXP FileList, SEXP OutputFileName, SEXP OutputFileList, SEXP s_swig_copy) {
13892   int result; OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ;
13893   std::vector< std::string,std::allocator< std::string > > *arg2 = 0 ; std::string *arg3 = 0 ;
13894   std::vector< std::string,std::allocator< std::string > > *arg4 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
13895   int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; void *argp4 = 0 ; int res4 = 0 ; unsigned int r_nprotect = 0;
13896   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13897   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13898     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_FullConvert" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
13899    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1);
13900   res2 = SWIG_R_ConvertPtr(FileList, &argp2, SWIGTYPE_p_std__vectorT_std__string_std__allocatorT_std__string_t_t,  0 );
13901   if (!SWIG_IsOK(res2)) {
13902     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConversion_FullConvert" "', argument " "2"" of type '" "std::vector< std::string,std::allocator< std::string > > &""'");  }
13903    if (!argp2) {
13904     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBConversion_FullConvert" "', argument " "2"" of type '" "std::vector< std::string,std::allocator< std::string > > &""'"); }
13905    arg2 = reinterpret_cast< std::vector< std::string,std::allocator< std::string > > * >(argp2);
13906   res3 = SWIG_R_ConvertPtr(OutputFileName, &argp3, SWIGTYPE_p_std__string,  0 ); if (!SWIG_IsOK(res3)) {
13907     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBConversion_FullConvert" "', argument " "3"" of type '" "std::string &""'");  }
13908    if (!argp3) {
13909     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBConversion_FullConvert" "', argument " "3"" of type '" "std::string &""'"); }
13910    arg3 = reinterpret_cast< std::string * >(argp3);
13911   res4 = SWIG_R_ConvertPtr(OutputFileList, &argp4, SWIGTYPE_p_std__vectorT_std__string_std__allocatorT_std__string_t_t,  0 );
13912   if (!SWIG_IsOK(res4)) {
13913     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "OBConversion_FullConvert" "', argument " "4"" of type '" "std::vector< std::string,std::allocator< std::string > > &""'");  }
13914    if (!argp4) {
13915     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBConversion_FullConvert" "', argument " "4"" of type '" "std::vector< std::string,std::allocator< std::string > > &""'"); }
13916    arg4 = reinterpret_cast< std::vector< std::string,std::allocator< std::string > > * >(argp4);
13917   result = (int)(arg1)->FullConvert(*arg2,*arg3,*arg4); r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax);
13918   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_AddChemObject(SEXP self,SEXP pOb,SEXP s_swig_copy)13919 SWIGEXPORT SEXP R_swig_OBConversion_AddChemObject ( SEXP self, SEXP pOb, SEXP s_swig_copy) { int result;
13920   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ;
13921   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
13922   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 );
13923   if (!SWIG_IsOK(res1)) {
13924     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_AddChemObject" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
13925    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1);
13926   res2 = SWIG_R_ConvertPtr(pOb, &argp2, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res2)) {
13927     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConversion_AddChemObject" "', argument " "2"" of type '" "OpenBabel::OBBase *""'");  }
13928    arg2 = reinterpret_cast< OpenBabel::OBBase * >(argp2); result = (int)(arg1)->AddChemObject(arg2);
13929   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_GetChemObject(SEXP self)13930 SWIGEXPORT SEXP R_swig_OBConversion_GetChemObject ( SEXP self) { OpenBabel::OBBase *result = 0 ;
13931   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
13932   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13933   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13934     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_GetChemObject" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
13935    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1); result = (OpenBabel::OBBase *)(arg1)->GetChemObject();
13936   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBase, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
13937   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_IsLast(SEXP self,SEXP s_swig_copy)13938 SWIGEXPORT SEXP R_swig_OBConversion_IsLast ( SEXP self, SEXP s_swig_copy) { bool result;
13939   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
13940   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13941   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13942     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_IsLast" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
13943    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1); result = (bool)(arg1)->IsLast();
13944   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_IsFirstInput(SEXP self,SEXP s_swig_copy)13945 SWIGEXPORT SEXP R_swig_OBConversion_IsFirstInput ( SEXP self, SEXP s_swig_copy) { bool result;
13946   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
13947   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13948   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13949     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_IsFirstInput" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
13950    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1); result = (bool)(arg1)->IsFirstInput();
13951   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_SetFirstInput__SWIG_0(SEXP self,SEXP b)13952 SWIGEXPORT SEXP R_swig_OBConversion_SetFirstInput__SWIG_0 ( SEXP self, SEXP b) {
13953   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
13954   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13955   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13956     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_SetFirstInput" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
13957    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1); arg2 = LOGICAL(b)[0] ? true : false;
13958   (arg1)->SetFirstInput(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_SetFirstInput__SWIG_1(SEXP self)13959 SWIGEXPORT SEXP R_swig_OBConversion_SetFirstInput__SWIG_1 ( SEXP self) {
13960   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
13961   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13962   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13963     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_SetFirstInput" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
13964    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1); (arg1)->SetFirstInput(); r_ans = R_NilValue; vmaxset(r_vmax);
13965   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_GetOutputIndex(SEXP self,SEXP s_swig_copy)13966 SWIGEXPORT SEXP R_swig_OBConversion_GetOutputIndex ( SEXP self, SEXP s_swig_copy) { int result;
13967   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
13968   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13969   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13970     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_GetOutputIndex" "', argument " "1"" of type '" "OpenBabel::OBConversion const *""'");  }
13971    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1);
13972   result = (int)((OpenBabel::OBConversion const *)arg1)->GetOutputIndex(); r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax);
13973   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_SetOutputIndex(SEXP self,SEXP indx)13974 SWIGEXPORT SEXP R_swig_OBConversion_SetOutputIndex ( SEXP self, SEXP indx) {
13975   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
13976   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13977   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13978     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_SetOutputIndex" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
13979    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1); arg2 = static_cast< int >(INTEGER(indx)[0]);
13980   (arg1)->SetOutputIndex(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_SetMoreFilesToCome(SEXP self)13981 SWIGEXPORT SEXP R_swig_OBConversion_SetMoreFilesToCome ( SEXP self) {
13982   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
13983   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13984   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13985     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_SetMoreFilesToCome" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
13986    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1); (arg1)->SetMoreFilesToCome(); r_ans = R_NilValue;
13987   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_SetOneObjectOnly__SWIG_0(SEXP self,SEXP b)13988 SWIGEXPORT SEXP R_swig_OBConversion_SetOneObjectOnly__SWIG_0 ( SEXP self, SEXP b) {
13989   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
13990   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13991   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13992     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_SetOneObjectOnly" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
13993    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1); arg2 = LOGICAL(b)[0] ? true : false;
13994   (arg1)->SetOneObjectOnly(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_SetOneObjectOnly__SWIG_1(SEXP self)13995 SWIGEXPORT SEXP R_swig_OBConversion_SetOneObjectOnly__SWIG_1 ( SEXP self) {
13996   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
13997   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
13998   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
13999     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_SetOneObjectOnly" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
14000    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1); (arg1)->SetOneObjectOnly(); r_ans = R_NilValue; vmaxset(r_vmax);
14001   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_SetLast(SEXP self,SEXP b)14002 SWIGEXPORT SEXP R_swig_OBConversion_SetLast ( SEXP self, SEXP b) {
14003   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
14004   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14005   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14006     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_SetLast" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
14007    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1); arg2 = LOGICAL(b)[0] ? true : false; (arg1)->SetLast(arg2);
14008   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_IsLastFile(SEXP self,SEXP s_swig_copy)14009 SWIGEXPORT SEXP R_swig_OBConversion_IsLastFile ( SEXP self, SEXP s_swig_copy) { bool result;
14010   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
14011   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14012   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14013     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_IsLastFile" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
14014    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1); result = (bool)(arg1)->IsLastFile();
14015   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_GetCount(SEXP self,SEXP s_swig_copy)14016 SWIGEXPORT SEXP R_swig_OBConversion_GetCount ( SEXP self, SEXP s_swig_copy) { int result;
14017   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
14018   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14019   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14020     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_GetCount" "', argument " "1"" of type '" "OpenBabel::OBConversion const *""'");  }
14021    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1);
14022   result = (int)((OpenBabel::OBConversion const *)arg1)->GetCount(); r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax);
14023   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_GetDefaultFormat()14024 SWIGEXPORT SEXP R_swig_OBConversion_GetDefaultFormat ( ) { OpenBabel::OBFormat *result = 0 ; unsigned int r_nprotect = 0;
14025   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14026   result = (OpenBabel::OBFormat *)OpenBabel::OBConversion::GetDefaultFormat();
14027   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBFormat, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
14028   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_Write__SWIG_0(SEXP self,SEXP pOb,SEXP pout,SEXP s_swig_copy)14029 SWIGEXPORT SEXP R_swig_OBConversion_Write__SWIG_0 ( SEXP self, SEXP pOb, SEXP pout, SEXP s_swig_copy) { bool result;
14030   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ;
14031   std::ostream *arg3 = (std::ostream *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ;
14032   int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14033   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14034     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_Write" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
14035    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1);
14036   res2 = SWIG_R_ConvertPtr(pOb, &argp2, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res2)) {
14037     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConversion_Write" "', argument " "2"" of type '" "OpenBabel::OBBase *""'");  }
14038    arg2 = reinterpret_cast< OpenBabel::OBBase * >(argp2);
14039   res3 = SWIG_R_ConvertPtr(pout, &argp3, SWIGTYPE_p_std__ostream, 0 |  0 ); if (!SWIG_IsOK(res3)) {
14040     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBConversion_Write" "', argument " "3"" of type '" "std::ostream *""'");  }
14041    arg3 = reinterpret_cast< std::ostream * >(argp3); result = (bool)(arg1)->Write(arg2,arg3); r_ans = Rf_ScalarLogical(result);
14042   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_Write__SWIG_1(SEXP self,SEXP pOb,SEXP s_swig_copy)14043 SWIGEXPORT SEXP R_swig_OBConversion_Write__SWIG_1 ( SEXP self, SEXP pOb, SEXP s_swig_copy) { bool result;
14044   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ;
14045   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
14046   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 );
14047   if (!SWIG_IsOK(res1)) {
14048     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_Write" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
14049    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1);
14050   res2 = SWIG_R_ConvertPtr(pOb, &argp2, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res2)) {
14051     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConversion_Write" "', argument " "2"" of type '" "OpenBabel::OBBase *""'");  }
14052    arg2 = reinterpret_cast< OpenBabel::OBBase * >(argp2); result = (bool)(arg1)->Write(arg2); r_ans = Rf_ScalarLogical(result);
14053   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_WriteString__SWIG_0(SEXP self,SEXP pOb,SEXP trimWhitespace,SEXP s_swig_copy)14054 SWIGEXPORT SEXP R_swig_OBConversion_WriteString__SWIG_0 ( SEXP self, SEXP pOb, SEXP trimWhitespace, SEXP s_swig_copy) {
14055   std::string result; OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ;
14056   OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ; bool arg3 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
14057   int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14058   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14059     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_WriteString" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
14060    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1);
14061   res2 = SWIG_R_ConvertPtr(pOb, &argp2, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res2)) {
14062     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConversion_WriteString" "', argument " "2"" of type '" "OpenBabel::OBBase *""'");  }
14063    arg2 = reinterpret_cast< OpenBabel::OBBase * >(argp2); arg3 = LOGICAL(trimWhitespace)[0] ? true : false;
14064   result = (arg1)->WriteString(arg2,arg3); r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax);
14065   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_WriteString__SWIG_1(SEXP self,SEXP pOb,SEXP s_swig_copy)14066 SWIGEXPORT SEXP R_swig_OBConversion_WriteString__SWIG_1 ( SEXP self, SEXP pOb, SEXP s_swig_copy) { std::string result;
14067   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ;
14068   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
14069   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 );
14070   if (!SWIG_IsOK(res1)) {
14071     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_WriteString" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
14072    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1);
14073   res2 = SWIG_R_ConvertPtr(pOb, &argp2, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res2)) {
14074     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConversion_WriteString" "', argument " "2"" of type '" "OpenBabel::OBBase *""'");  }
14075    arg2 = reinterpret_cast< OpenBabel::OBBase * >(argp2); result = (arg1)->WriteString(arg2);
14076   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
14077   return r_ans; }
R_swig_OBConversion_WriteFile(SEXP self,SEXP pOb,SEXP filePath,SEXP s_swig_copy)14078 SWIGEXPORT SEXP R_swig_OBConversion_WriteFile ( SEXP self, SEXP pOb, SEXP filePath, SEXP s_swig_copy) { bool result;
14079   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ;
14080   std::string arg3 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0;
14081   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14082   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14083     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_WriteFile" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
14084    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1);
14085   res2 = SWIG_R_ConvertPtr(pOb, &argp2, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res2)) {
14086     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConversion_WriteFile" "', argument " "2"" of type '" "OpenBabel::OBBase *""'");  }
14087    arg2 = reinterpret_cast< OpenBabel::OBBase * >(argp2); { std::string *ptr = (std::string *)0;
14088     int res = SWIG_AsPtr_std_string(filePath, &ptr); if (!SWIG_IsOK(res) || !ptr) {
14089       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBConversion_WriteFile" "', argument " "3"" of type '" "std::string""'");  }
14090      arg3 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  result = (bool)(arg1)->WriteFile(arg2,arg3);
14091   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_CloseOutFile(SEXP self)14092 SWIGEXPORT SEXP R_swig_OBConversion_CloseOutFile ( SEXP self) { OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ;
14093   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14094   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14095     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_CloseOutFile" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
14096    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1); (arg1)->CloseOutFile(); r_ans = R_NilValue; vmaxset(r_vmax);
14097   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_Read__SWIG_0(SEXP self,SEXP pOb,SEXP pin,SEXP s_swig_copy)14098 SWIGEXPORT SEXP R_swig_OBConversion_Read__SWIG_0 ( SEXP self, SEXP pOb, SEXP pin, SEXP s_swig_copy) { bool result;
14099   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ;
14100   std::istream *arg3 = (std::istream *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ;
14101   int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14102   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14103     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_Read" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
14104    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1);
14105   res2 = SWIG_R_ConvertPtr(pOb, &argp2, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res2)) {
14106     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConversion_Read" "', argument " "2"" of type '" "OpenBabel::OBBase *""'");  }
14107    arg2 = reinterpret_cast< OpenBabel::OBBase * >(argp2);
14108   res3 = SWIG_R_ConvertPtr(pin, &argp3, SWIGTYPE_p_std__istream, 0 |  0 ); if (!SWIG_IsOK(res3)) {
14109     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBConversion_Read" "', argument " "3"" of type '" "std::istream *""'");  }
14110    arg3 = reinterpret_cast< std::istream * >(argp3); result = (bool)(arg1)->Read(arg2,arg3); r_ans = Rf_ScalarLogical(result);
14111   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_Read__SWIG_1(SEXP self,SEXP pOb,SEXP s_swig_copy)14112 SWIGEXPORT SEXP R_swig_OBConversion_Read__SWIG_1 ( SEXP self, SEXP pOb, SEXP s_swig_copy) { bool result;
14113   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ;
14114   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
14115   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 );
14116   if (!SWIG_IsOK(res1)) {
14117     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_Read" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
14118    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1);
14119   res2 = SWIG_R_ConvertPtr(pOb, &argp2, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res2)) {
14120     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConversion_Read" "', argument " "2"" of type '" "OpenBabel::OBBase *""'");  }
14121    arg2 = reinterpret_cast< OpenBabel::OBBase * >(argp2); result = (bool)(arg1)->Read(arg2); r_ans = Rf_ScalarLogical(result);
14122   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_ReadString(SEXP self,SEXP pOb,SEXP input,SEXP s_swig_copy)14123 SWIGEXPORT SEXP R_swig_OBConversion_ReadString ( SEXP self, SEXP pOb, SEXP input, SEXP s_swig_copy) { bool result;
14124   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ;
14125   std::string arg3 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0;
14126   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14127   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14128     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_ReadString" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
14129    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1);
14130   res2 = SWIG_R_ConvertPtr(pOb, &argp2, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res2)) {
14131     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConversion_ReadString" "', argument " "2"" of type '" "OpenBabel::OBBase *""'");  }
14132    arg2 = reinterpret_cast< OpenBabel::OBBase * >(argp2); { std::string *ptr = (std::string *)0;
14133     int res = SWIG_AsPtr_std_string(input, &ptr); if (!SWIG_IsOK(res) || !ptr) {
14134       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBConversion_ReadString" "', argument " "3"" of type '" "std::string""'");  }
14135      arg3 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  result = (bool)(arg1)->ReadString(arg2,arg3);
14136   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_ReadFile(SEXP self,SEXP pOb,SEXP filePath,SEXP s_swig_copy)14137 SWIGEXPORT SEXP R_swig_OBConversion_ReadFile ( SEXP self, SEXP pOb, SEXP filePath, SEXP s_swig_copy) { bool result;
14138   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ;
14139   std::string arg3 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0;
14140   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14141   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14142     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_ReadFile" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
14143    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1);
14144   res2 = SWIG_R_ConvertPtr(pOb, &argp2, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res2)) {
14145     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConversion_ReadFile" "', argument " "2"" of type '" "OpenBabel::OBBase *""'");  }
14146    arg2 = reinterpret_cast< OpenBabel::OBBase * >(argp2); { std::string *ptr = (std::string *)0;
14147     int res = SWIG_AsPtr_std_string(filePath, &ptr); if (!SWIG_IsOK(res) || !ptr) {
14148       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBConversion_ReadFile" "', argument " "3"" of type '" "std::string""'");  }
14149      arg3 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  result = (bool)(arg1)->ReadFile(arg2,arg3);
14150   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_OpenInAndOutFiles(SEXP self,SEXP infilepath,SEXP outfilepath,SEXP s_swig_copy)14151 SWIGEXPORT SEXP R_swig_OBConversion_OpenInAndOutFiles ( SEXP self, SEXP infilepath, SEXP outfilepath, SEXP s_swig_copy) {
14152   bool result; OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; std::string arg2 ; std::string arg3 ;
14153   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14154   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14155     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_OpenInAndOutFiles" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
14156    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1); { std::string *ptr = (std::string *)0;
14157     int res = SWIG_AsPtr_std_string(infilepath, &ptr); if (!SWIG_IsOK(res) || !ptr) {
14158       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBConversion_OpenInAndOutFiles" "', argument " "2"" of type '" "std::string""'");  }
14159      arg2 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  { std::string *ptr = (std::string *)0;
14160     int res = SWIG_AsPtr_std_string(outfilepath, &ptr); if (!SWIG_IsOK(res) || !ptr) {
14161       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBConversion_OpenInAndOutFiles" "', argument " "3"" of type '" "std::string""'");  }
14162      arg3 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  result = (bool)(arg1)->OpenInAndOutFiles(arg2,arg3);
14163   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_ReportNumberConverted__SWIG_0(SEXP self,SEXP count,SEXP pFormat)14164 SWIGEXPORT SEXP R_swig_OBConversion_ReportNumberConverted__SWIG_0 ( SEXP self, SEXP count, SEXP pFormat) {
14165   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; int arg2 ;
14166   OpenBabel::OBFormat *arg3 = (OpenBabel::OBFormat *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp3 = 0 ; int res3 = 0 ;
14167   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14168   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14169     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_ReportNumberConverted" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
14170    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1); arg2 = static_cast< int >(INTEGER(count)[0]);
14171   res3 = SWIG_R_ConvertPtr(pFormat, &argp3, SWIGTYPE_p_OpenBabel__OBFormat, 0 |  0 ); if (!SWIG_IsOK(res3)) {
14172     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBConversion_ReportNumberConverted" "', argument " "3"" of type '" "OpenBabel::OBFormat *""'");  }
14173    arg3 = reinterpret_cast< OpenBabel::OBFormat * >(argp3); (arg1)->ReportNumberConverted(arg2,arg3); r_ans = R_NilValue;
14174   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConversion_ReportNumberConverted__SWIG_1(SEXP self,SEXP count)14175 SWIGEXPORT SEXP R_swig_OBConversion_ReportNumberConverted__SWIG_1 ( SEXP self, SEXP count) {
14176   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
14177   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14178   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14179     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_ReportNumberConverted" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
14180    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1); arg2 = static_cast< int >(INTEGER(count)[0]);
14181   (arg1)->ReportNumberConverted(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
14182   return r_ans; }
R_swig_OBConversion_NumInputObjects(SEXP self,SEXP s_swig_copy)14183 SWIGEXPORT SEXP R_swig_OBConversion_NumInputObjects ( SEXP self, SEXP s_swig_copy) { int result;
14184   OpenBabel::OBConversion *arg1 = (OpenBabel::OBConversion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
14185   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14186   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14187     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConversion_NumInputObjects" "', argument " "1"" of type '" "OpenBabel::OBConversion *""'");  }
14188    arg1 = reinterpret_cast< OpenBabel::OBConversion * >(argp1); result = (int)(arg1)->NumInputObjects();
14189   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBResidue__SWIG_0()14190 SWIGEXPORT SEXP R_swig_new_OBResidue__SWIG_0 ( ) { OpenBabel::OBResidue *result = 0 ; unsigned int r_nprotect = 0;
14191   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBResidue *)new OpenBabel::OBResidue();
14192   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBResidue, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
14193   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBResidue__SWIG_1(SEXP s_arg1)14194 SWIGEXPORT SEXP R_swig_new_OBResidue__SWIG_1 ( SEXP s_arg1) { OpenBabel::OBResidue *result = 0 ;
14195   OpenBabel::OBResidue *arg1 = 0 ; void *argp1 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
14196   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(s_arg1, &argp1, SWIGTYPE_p_OpenBabel__OBResidue,  0 );
14197   if (!SWIG_IsOK(res1)) {
14198     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBResidue" "', argument " "1"" of type '" "OpenBabel::OBResidue const &""'");  }
14199    if (!argp1) {
14200     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBResidue" "', argument " "1"" of type '" "OpenBabel::OBResidue const &""'"); }
14201    arg1 = reinterpret_cast< OpenBabel::OBResidue * >(argp1);
14202   result = (OpenBabel::OBResidue *)new OpenBabel::OBResidue((OpenBabel::OBResidue const &)*arg1);
14203   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBResidue, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
14204   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBResidue(SEXP self)14205 SWIGEXPORT SEXP R_swig_delete_OBResidue ( SEXP self) { OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ;
14206   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14207   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidue, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
14208     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBResidue" "', argument " "1"" of type '" "OpenBabel::OBResidue *""'");  }
14209    arg1 = reinterpret_cast< OpenBabel::OBResidue * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
14210   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBResidue_AddAtom(SEXP self,SEXP atom)14211 SWIGEXPORT SEXP R_swig_OBResidue_AddAtom ( SEXP self, SEXP atom) { OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ;
14212   OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
14213   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14214   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14215     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidue_AddAtom" "', argument " "1"" of type '" "OpenBabel::OBResidue *""'");  }
14216    arg1 = reinterpret_cast< OpenBabel::OBResidue * >(argp1);
14217   res2 = SWIG_R_ConvertPtr(atom, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
14218     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidue_AddAtom" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
14219    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); (arg1)->AddAtom(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
14220   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidue_InsertAtom(SEXP self,SEXP atom)14221 SWIGEXPORT SEXP R_swig_OBResidue_InsertAtom ( SEXP self, SEXP atom) { OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ;
14222   OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
14223   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14224   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14225     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidue_InsertAtom" "', argument " "1"" of type '" "OpenBabel::OBResidue *""'");  }
14226    arg1 = reinterpret_cast< OpenBabel::OBResidue * >(argp1);
14227   res2 = SWIG_R_ConvertPtr(atom, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
14228     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidue_InsertAtom" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
14229    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); (arg1)->InsertAtom(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
14230   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidue_RemoveAtom(SEXP self,SEXP atom)14231 SWIGEXPORT SEXP R_swig_OBResidue_RemoveAtom ( SEXP self, SEXP atom) { OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ;
14232   OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
14233   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14234   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14235     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidue_RemoveAtom" "', argument " "1"" of type '" "OpenBabel::OBResidue *""'");  }
14236    arg1 = reinterpret_cast< OpenBabel::OBResidue * >(argp1);
14237   res2 = SWIG_R_ConvertPtr(atom, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
14238     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidue_RemoveAtom" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
14239    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); (arg1)->RemoveAtom(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
14240   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidue_SetName(SEXP self,SEXP resname)14241 SWIGEXPORT SEXP R_swig_OBResidue_SetName ( SEXP self, SEXP resname) { OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ;
14242   std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ; int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0;
14243   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14244   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14245     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidue_SetName" "', argument " "1"" of type '" "OpenBabel::OBResidue *""'");  }
14246    arg1 = reinterpret_cast< OpenBabel::OBResidue * >(argp1); { std::string *ptr = (std::string *)0;
14247     res2 = SWIG_AsPtr_std_string(resname, &ptr); if (!SWIG_IsOK(res2)) {
14248       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidue_SetName" "', argument " "2"" of type '" "std::string const &""'"); }
14249      if (!ptr) {
14250       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidue_SetName" "', argument " "2"" of type '" "std::string const &""'"); }
14251      arg2 = ptr; }  (arg1)->SetName((std::string const &)*arg2); r_ans = R_NilValue; if (SWIG_IsNewObj(res2)) delete arg2;
14252   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidue_SetNum__SWIG_0(SEXP self,SEXP resnum)14253 SWIGEXPORT SEXP R_swig_OBResidue_SetNum__SWIG_0 ( SEXP self, SEXP resnum) {
14254   OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ;
14255   int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14256   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14257     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidue_SetNum" "', argument " "1"" of type '" "OpenBabel::OBResidue *""'");  }
14258    arg1 = reinterpret_cast< OpenBabel::OBResidue * >(argp1); ecode2 = SWIG_AsVal_int(resnum, &val2); if (!SWIG_IsOK(ecode2)) {
14259     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBResidue_SetNum" "', argument " "2"" of type '" "unsigned int""'"); }
14260     arg2 = static_cast< unsigned int >(val2); (arg1)->SetNum(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
14261   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidue_SetNum__SWIG_1(SEXP self,SEXP resnum)14262 SWIGEXPORT SEXP R_swig_OBResidue_SetNum__SWIG_1 ( SEXP self, SEXP resnum) {
14263   OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; std::string arg2 ; void *argp1 = 0 ; int res1 = 0 ;
14264   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14265   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14266     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidue_SetNum" "', argument " "1"" of type '" "OpenBabel::OBResidue *""'");  }
14267    arg1 = reinterpret_cast< OpenBabel::OBResidue * >(argp1); { std::string *ptr = (std::string *)0;
14268     int res = SWIG_AsPtr_std_string(resnum, &ptr); if (!SWIG_IsOK(res) || !ptr) {
14269       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBResidue_SetNum" "', argument " "2"" of type '" "std::string const""'");  }
14270      arg2 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  (arg1)->SetNum(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
14271   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidue_SetChain(SEXP self,SEXP chain)14272 SWIGEXPORT SEXP R_swig_OBResidue_SetChain ( SEXP self, SEXP chain) { OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ;
14273   char arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
14274   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 );
14275   if (!SWIG_IsOK(res1)) {
14276     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidue_SetChain" "', argument " "1"" of type '" "OpenBabel::OBResidue *""'");  }
14277    arg1 = reinterpret_cast< OpenBabel::OBResidue * >(argp1); arg2 = static_cast< char >(CHAR(STRING_ELT(chain, 0))[0]);
14278   (arg1)->SetChain(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidue_SetChainNum(SEXP self,SEXP chainnum)14279 SWIGEXPORT SEXP R_swig_OBResidue_SetChainNum ( SEXP self, SEXP chainnum) {
14280   OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ;
14281   int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14282   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14283     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidue_SetChainNum" "', argument " "1"" of type '" "OpenBabel::OBResidue *""'");  }
14284    arg1 = reinterpret_cast< OpenBabel::OBResidue * >(argp1); ecode2 = SWIG_AsVal_int(chainnum, &val2); if (!SWIG_IsOK(ecode2)) {
14285     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBResidue_SetChainNum" "', argument " "2"" of type '" "unsigned int""'"); }
14286     arg2 = static_cast< unsigned int >(val2); (arg1)->SetChainNum(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
14287   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidue_SetIdx(SEXP self,SEXP idx)14288 SWIGEXPORT SEXP R_swig_OBResidue_SetIdx ( SEXP self, SEXP idx) { OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ;
14289   unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0;
14290   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14291   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14292     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidue_SetIdx" "', argument " "1"" of type '" "OpenBabel::OBResidue *""'");  }
14293    arg1 = reinterpret_cast< OpenBabel::OBResidue * >(argp1); ecode2 = SWIG_AsVal_int(idx, &val2); if (!SWIG_IsOK(ecode2)) {
14294     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBResidue_SetIdx" "', argument " "2"" of type '" "unsigned int""'"); }
14295     arg2 = static_cast< unsigned int >(val2); (arg1)->SetIdx(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
14296   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidue_SetAtomID(SEXP self,SEXP atom,SEXP id)14297 SWIGEXPORT SEXP R_swig_OBResidue_SetAtomID ( SEXP self, SEXP atom, SEXP id) {
14298   OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
14299   std::string *arg3 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; int res3 = SWIG_OLDOBJ ;
14300   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14301   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14302     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidue_SetAtomID" "', argument " "1"" of type '" "OpenBabel::OBResidue *""'");  }
14303    arg1 = reinterpret_cast< OpenBabel::OBResidue * >(argp1);
14304   res2 = SWIG_R_ConvertPtr(atom, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
14305     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidue_SetAtomID" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
14306    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); { std::string *ptr = (std::string *)0;
14307     res3 = SWIG_AsPtr_std_string(id, &ptr); if (!SWIG_IsOK(res3)) {
14308       SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBResidue_SetAtomID" "', argument " "3"" of type '" "std::string const &""'"); }
14309      if (!ptr) {
14310       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidue_SetAtomID" "', argument " "3"" of type '" "std::string const &""'"); }
14311      arg3 = ptr; }  (arg1)->SetAtomID(arg2,(std::string const &)*arg3); r_ans = R_NilValue;
14312   if (SWIG_IsNewObj(res3)) delete arg3; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidue_SetHetAtom(SEXP self,SEXP atom,SEXP hetatm)14313 SWIGEXPORT SEXP R_swig_OBResidue_SetHetAtom ( SEXP self, SEXP atom, SEXP hetatm) {
14314   OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; bool arg3 ;
14315   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
14316   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 );
14317   if (!SWIG_IsOK(res1)) {
14318     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidue_SetHetAtom" "', argument " "1"" of type '" "OpenBabel::OBResidue *""'");  }
14319    arg1 = reinterpret_cast< OpenBabel::OBResidue * >(argp1);
14320   res2 = SWIG_R_ConvertPtr(atom, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
14321     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidue_SetHetAtom" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
14322    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); arg3 = LOGICAL(hetatm)[0] ? true : false;
14323   (arg1)->SetHetAtom(arg2,arg3); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidue_SetSerialNum(SEXP self,SEXP atom,SEXP sernum)14324 SWIGEXPORT SEXP R_swig_OBResidue_SetSerialNum ( SEXP self, SEXP atom, SEXP sernum) {
14325   OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
14326   unsigned int arg3 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; int val3 ; int ecode3 = 0 ;
14327   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14328   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14329     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidue_SetSerialNum" "', argument " "1"" of type '" "OpenBabel::OBResidue *""'");  }
14330    arg1 = reinterpret_cast< OpenBabel::OBResidue * >(argp1);
14331   res2 = SWIG_R_ConvertPtr(atom, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
14332     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidue_SetSerialNum" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
14333    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); ecode3 = SWIG_AsVal_int(sernum, &val3); if (!SWIG_IsOK(ecode3)) {
14334     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "OBResidue_SetSerialNum" "', argument " "3"" of type '" "unsigned int""'"); }
14335     arg3 = static_cast< unsigned int >(val3); (arg1)->SetSerialNum(arg2,arg3); r_ans = R_NilValue; vmaxset(r_vmax);
14336   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidue_GetName(SEXP self,SEXP s_swig_copy)14337 SWIGEXPORT SEXP R_swig_OBResidue_GetName ( SEXP self, SEXP s_swig_copy) { std::string result;
14338   OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
14339   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14340   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14341     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidue_GetName" "', argument " "1"" of type '" "OpenBabel::OBResidue const *""'");  }
14342    arg1 = reinterpret_cast< OpenBabel::OBResidue * >(argp1); result = ((OpenBabel::OBResidue const *)arg1)->GetName();
14343   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
14344   return r_ans; }
R_swig_OBResidue_GetNum(SEXP self,SEXP s_swig_copy)14345 SWIGEXPORT SEXP R_swig_OBResidue_GetNum ( SEXP self, SEXP s_swig_copy) { unsigned int result;
14346   OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
14347   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14348   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14349     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidue_GetNum" "', argument " "1"" of type '" "OpenBabel::OBResidue *""'");  }
14350    arg1 = reinterpret_cast< OpenBabel::OBResidue * >(argp1); result = (unsigned int)(arg1)->GetNum();
14351   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidue_GetNumString(SEXP self,SEXP s_swig_copy)14352 SWIGEXPORT SEXP R_swig_OBResidue_GetNumString ( SEXP self, SEXP s_swig_copy) { std::string result;
14353   OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
14354   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14355   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14356     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidue_GetNumString" "', argument " "1"" of type '" "OpenBabel::OBResidue *""'");  }
14357    arg1 = reinterpret_cast< OpenBabel::OBResidue * >(argp1); result = (arg1)->GetNumString();
14358   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
14359   return r_ans; }
R_swig_OBResidue_GetNumAtoms(SEXP self,SEXP s_swig_copy)14360 SWIGEXPORT SEXP R_swig_OBResidue_GetNumAtoms ( SEXP self, SEXP s_swig_copy) { unsigned int result;
14361   OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
14362   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14363   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14364     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidue_GetNumAtoms" "', argument " "1"" of type '" "OpenBabel::OBResidue const *""'");  }
14365    arg1 = reinterpret_cast< OpenBabel::OBResidue * >(argp1);
14366   result = (unsigned int)((OpenBabel::OBResidue const *)arg1)->GetNumAtoms(); r_ans = SWIG_From_int(static_cast< int >(result));
14367   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidue_GetChain(SEXP self,SEXP s_swig_copy)14368 SWIGEXPORT SEXP R_swig_OBResidue_GetChain ( SEXP self, SEXP s_swig_copy) { char result;
14369   OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
14370   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14371   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14372     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidue_GetChain" "', argument " "1"" of type '" "OpenBabel::OBResidue const *""'");  }
14373    arg1 = reinterpret_cast< OpenBabel::OBResidue * >(argp1); result = (char)((OpenBabel::OBResidue const *)arg1)->GetChain(); {
14374     char tmp[2] = "x"; tmp[0] = result;     r_ans = Rf_mkString(tmp);  }  vmaxset(r_vmax);
14375   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidue_GetChainNum(SEXP self,SEXP s_swig_copy)14376 SWIGEXPORT SEXP R_swig_OBResidue_GetChainNum ( SEXP self, SEXP s_swig_copy) { unsigned int result;
14377   OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
14378   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14379   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14380     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidue_GetChainNum" "', argument " "1"" of type '" "OpenBabel::OBResidue const *""'");  }
14381    arg1 = reinterpret_cast< OpenBabel::OBResidue * >(argp1);
14382   result = (unsigned int)((OpenBabel::OBResidue const *)arg1)->GetChainNum(); r_ans = SWIG_From_int(static_cast< int >(result));
14383   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidue_GetIdx(SEXP self,SEXP s_swig_copy)14384 SWIGEXPORT SEXP R_swig_OBResidue_GetIdx ( SEXP self, SEXP s_swig_copy) { unsigned int result;
14385   OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
14386   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14387   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14388     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidue_GetIdx" "', argument " "1"" of type '" "OpenBabel::OBResidue const *""'");  }
14389    arg1 = reinterpret_cast< OpenBabel::OBResidue * >(argp1);
14390   result = (unsigned int)((OpenBabel::OBResidue const *)arg1)->GetIdx(); r_ans = SWIG_From_int(static_cast< int >(result));
14391   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidue_GetResKey(SEXP self,SEXP s_swig_copy)14392 SWIGEXPORT SEXP R_swig_OBResidue_GetResKey ( SEXP self, SEXP s_swig_copy) { unsigned int result;
14393   OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
14394   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14395   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14396     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidue_GetResKey" "', argument " "1"" of type '" "OpenBabel::OBResidue const *""'");  }
14397    arg1 = reinterpret_cast< OpenBabel::OBResidue * >(argp1);
14398   result = (unsigned int)((OpenBabel::OBResidue const *)arg1)->GetResKey(); r_ans = SWIG_From_int(static_cast< int >(result));
14399   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidue_GetAtoms(SEXP self,SEXP s_swig_copy)14400 SWIGEXPORT SEXP R_swig_OBResidue_GetAtoms ( SEXP self, SEXP s_swig_copy) {
14401   SwigValueWrapper< std::vector< OpenBabel::OBAtom *,std::allocator< OpenBabel::OBAtom * > > > result;
14402   OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
14403   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14404   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14405     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidue_GetAtoms" "', argument " "1"" of type '" "OpenBabel::OBResidue const *""'");  }
14406    arg1 = reinterpret_cast< OpenBabel::OBResidue * >(argp1); result = ((OpenBabel::OBResidue const *)arg1)->GetAtoms();
14407   r_ans = SWIG_R_NewPointerObj((new std::vector< OpenBabel::OBAtom *,std::allocator< OpenBabel::OBAtom * > >(static_cast< const std::vector< OpenBabel::OBAtom *,std::allocator< OpenBabel::OBAtom * > >& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBAtom_p_std__allocatorT_OpenBabel__OBAtom_p_t_t, SWIG_POINTER_OWN |  0 );
14408   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidue_GetBonds__SWIG_0(SEXP self,SEXP exterior,SEXP s_swig_copy)14409 SWIGEXPORT SEXP R_swig_OBResidue_GetBonds__SWIG_0 ( SEXP self, SEXP exterior, SEXP s_swig_copy) {
14410   SwigValueWrapper< std::vector< OpenBabel::OBBond *,std::allocator< OpenBabel::OBBond * > > > result;
14411   OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
14412   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14413   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14414     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidue_GetBonds" "', argument " "1"" of type '" "OpenBabel::OBResidue const *""'");  }
14415    arg1 = reinterpret_cast< OpenBabel::OBResidue * >(argp1); arg2 = LOGICAL(exterior)[0] ? true : false;
14416   result = ((OpenBabel::OBResidue const *)arg1)->GetBonds(arg2);
14417   r_ans = SWIG_R_NewPointerObj((new std::vector< OpenBabel::OBBond *,std::allocator< OpenBabel::OBBond * > >(static_cast< const std::vector< OpenBabel::OBBond *,std::allocator< OpenBabel::OBBond * > >& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t, SWIG_POINTER_OWN |  0 );
14418   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidue_GetBonds__SWIG_1(SEXP self,SEXP s_swig_copy)14419 SWIGEXPORT SEXP R_swig_OBResidue_GetBonds__SWIG_1 ( SEXP self, SEXP s_swig_copy) {
14420   SwigValueWrapper< std::vector< OpenBabel::OBBond *,std::allocator< OpenBabel::OBBond * > > > result;
14421   OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
14422   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14423   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14424     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidue_GetBonds" "', argument " "1"" of type '" "OpenBabel::OBResidue const *""'");  }
14425    arg1 = reinterpret_cast< OpenBabel::OBResidue * >(argp1); result = ((OpenBabel::OBResidue const *)arg1)->GetBonds();
14426   r_ans = SWIG_R_NewPointerObj((new std::vector< OpenBabel::OBBond *,std::allocator< OpenBabel::OBBond * > >(static_cast< const std::vector< OpenBabel::OBBond *,std::allocator< OpenBabel::OBBond * > >& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t, SWIG_POINTER_OWN |  0 );
14427   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidue_GetAtomID(SEXP self,SEXP atom,SEXP s_swig_copy)14428 SWIGEXPORT SEXP R_swig_OBResidue_GetAtomID ( SEXP self, SEXP atom, SEXP s_swig_copy) { std::string result;
14429   OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
14430   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
14431   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 );
14432   if (!SWIG_IsOK(res1)) {
14433     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidue_GetAtomID" "', argument " "1"" of type '" "OpenBabel::OBResidue const *""'");  }
14434    arg1 = reinterpret_cast< OpenBabel::OBResidue * >(argp1);
14435   res2 = SWIG_R_ConvertPtr(atom, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
14436     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidue_GetAtomID" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
14437    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = ((OpenBabel::OBResidue const *)arg1)->GetAtomID(arg2);
14438   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
14439   return r_ans; }
R_swig_OBResidue_GetSerialNum(SEXP self,SEXP atom,SEXP s_swig_copy)14440 SWIGEXPORT SEXP R_swig_OBResidue_GetSerialNum ( SEXP self, SEXP atom, SEXP s_swig_copy) { unsigned int result;
14441   OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
14442   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
14443   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 );
14444   if (!SWIG_IsOK(res1)) {
14445     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidue_GetSerialNum" "', argument " "1"" of type '" "OpenBabel::OBResidue const *""'");  }
14446    arg1 = reinterpret_cast< OpenBabel::OBResidue * >(argp1);
14447   res2 = SWIG_R_ConvertPtr(atom, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
14448     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidue_GetSerialNum" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
14449    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2);
14450   result = (unsigned int)((OpenBabel::OBResidue const *)arg1)->GetSerialNum(arg2);
14451   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidue_GetAminoAcidProperty(SEXP self,SEXP s_arg2,SEXP s_swig_copy)14452 SWIGEXPORT SEXP R_swig_OBResidue_GetAminoAcidProperty ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
14453   OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
14454   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14455   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14456     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidue_GetAminoAcidProperty" "', argument " "1"" of type '" "OpenBabel::OBResidue const *""'");  }
14457    arg1 = reinterpret_cast< OpenBabel::OBResidue * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
14458   result = (bool)((OpenBabel::OBResidue const *)arg1)->GetAminoAcidProperty(arg2); r_ans = Rf_ScalarLogical(result);
14459   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidue_GetAtomProperty(SEXP self,SEXP a,SEXP s_arg3,SEXP s_swig_copy)14460 SWIGEXPORT SEXP R_swig_OBResidue_GetAtomProperty ( SEXP self, SEXP a, SEXP s_arg3, SEXP s_swig_copy) { bool result;
14461   OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; int arg3 ;
14462   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
14463   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 );
14464   if (!SWIG_IsOK(res1)) {
14465     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidue_GetAtomProperty" "', argument " "1"" of type '" "OpenBabel::OBResidue const *""'");  }
14466    arg1 = reinterpret_cast< OpenBabel::OBResidue * >(argp1);
14467   res2 = SWIG_R_ConvertPtr(a, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
14468     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidue_GetAtomProperty" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
14469    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); arg3 = static_cast< int >(INTEGER(s_arg3)[0]);
14470   result = (bool)((OpenBabel::OBResidue const *)arg1)->GetAtomProperty(arg2,arg3); r_ans = Rf_ScalarLogical(result);
14471   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidue_GetResidueProperty(SEXP self,SEXP s_arg2,SEXP s_swig_copy)14472 SWIGEXPORT SEXP R_swig_OBResidue_GetResidueProperty ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
14473   OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
14474   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14475   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14476     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidue_GetResidueProperty" "', argument " "1"" of type '" "OpenBabel::OBResidue const *""'");  }
14477    arg1 = reinterpret_cast< OpenBabel::OBResidue * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
14478   result = (bool)((OpenBabel::OBResidue const *)arg1)->GetResidueProperty(arg2); r_ans = Rf_ScalarLogical(result);
14479   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidue_IsHetAtom(SEXP self,SEXP atom,SEXP s_swig_copy)14480 SWIGEXPORT SEXP R_swig_OBResidue_IsHetAtom ( SEXP self, SEXP atom, SEXP s_swig_copy) { bool result;
14481   OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
14482   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
14483   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 );
14484   if (!SWIG_IsOK(res1)) {
14485     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidue_IsHetAtom" "', argument " "1"" of type '" "OpenBabel::OBResidue const *""'");  }
14486    arg1 = reinterpret_cast< OpenBabel::OBResidue * >(argp1);
14487   res2 = SWIG_R_ConvertPtr(atom, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
14488     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidue_IsHetAtom" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
14489    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (bool)((OpenBabel::OBResidue const *)arg1)->IsHetAtom(arg2);
14490   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidue_IsResidueType(SEXP self,SEXP s_arg2,SEXP s_swig_copy)14491 SWIGEXPORT SEXP R_swig_OBResidue_IsResidueType ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
14492   OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
14493   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14494   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14495     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidue_IsResidueType" "', argument " "1"" of type '" "OpenBabel::OBResidue const *""'");  }
14496    arg1 = reinterpret_cast< OpenBabel::OBResidue * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
14497   result = (bool)((OpenBabel::OBResidue const *)arg1)->IsResidueType(arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
14498   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidue_BeginAtoms(SEXP self,SEXP s_swig_copy)14499 SWIGEXPORT SEXP R_swig_OBResidue_BeginAtoms ( SEXP self, SEXP s_swig_copy) {
14500   SwigValueWrapper< std::vector< OpenBabel::OBAtom *,std::allocator< OpenBabel::OBAtom * > >::iterator > result;
14501   OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
14502   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14503   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14504     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidue_BeginAtoms" "', argument " "1"" of type '" "OpenBabel::OBResidue *""'");  }
14505    arg1 = reinterpret_cast< OpenBabel::OBResidue * >(argp1); result = (arg1)->BeginAtoms();
14506   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBAtomIterator(static_cast< const OpenBabel::OBAtomIterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBAtom_p_std__allocatorT_OpenBabel__OBAtom_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
14507   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidue_EndAtoms(SEXP self,SEXP s_swig_copy)14508 SWIGEXPORT SEXP R_swig_OBResidue_EndAtoms ( SEXP self, SEXP s_swig_copy) {
14509   SwigValueWrapper< std::vector< OpenBabel::OBAtom *,std::allocator< OpenBabel::OBAtom * > >::iterator > result;
14510   OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
14511   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14512   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14513     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidue_EndAtoms" "', argument " "1"" of type '" "OpenBabel::OBResidue *""'");  }
14514    arg1 = reinterpret_cast< OpenBabel::OBResidue * >(argp1); result = (arg1)->EndAtoms();
14515   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBAtomIterator(static_cast< const OpenBabel::OBAtomIterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBAtom_p_std__allocatorT_OpenBabel__OBAtom_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
14516   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidue_BeginAtom(SEXP self,SEXP i)14517 SWIGEXPORT SEXP R_swig_OBResidue_BeginAtom ( SEXP self, SEXP i) { OpenBabel::OBAtom *result = 0 ;
14518   OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ;
14519   std::vector< OpenBabel::OBAtom *,std::allocator< OpenBabel::OBAtom * > >::iterator *arg2 = 0 ; void *argp1 = 0 ;
14520   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
14521   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 );
14522   if (!SWIG_IsOK(res1)) {
14523     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidue_BeginAtom" "', argument " "1"" of type '" "OpenBabel::OBResidue *""'");  }
14524    arg1 = reinterpret_cast< OpenBabel::OBResidue * >(argp1);
14525   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBAtom_p_std__allocatorT_OpenBabel__OBAtom_p_t_t__iterator,  0 );
14526   if (!SWIG_IsOK(res2)) {
14527     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidue_BeginAtom" "', argument " "2"" of type '" "std::vector< OpenBabel::OBAtom *,std::allocator< OpenBabel::OBAtom * > >::iterator &""'");  }
14528    if (!argp2) {
14529     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidue_BeginAtom" "', argument " "2"" of type '" "std::vector< OpenBabel::OBAtom *,std::allocator< OpenBabel::OBAtom * > >::iterator &""'"); }
14530    arg2 = reinterpret_cast< std::vector< OpenBabel::OBAtom *,std::allocator< OpenBabel::OBAtom * > >::iterator * >(argp2);
14531   result = (OpenBabel::OBAtom *)(arg1)->BeginAtom(*arg2);
14532   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
14533   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidue_NextAtom(SEXP self,SEXP i)14534 SWIGEXPORT SEXP R_swig_OBResidue_NextAtom ( SEXP self, SEXP i) { OpenBabel::OBAtom *result = 0 ;
14535   OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ;
14536   std::vector< OpenBabel::OBAtom *,std::allocator< OpenBabel::OBAtom * > >::iterator *arg2 = 0 ; void *argp1 = 0 ;
14537   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
14538   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 );
14539   if (!SWIG_IsOK(res1)) {
14540     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidue_NextAtom" "', argument " "1"" of type '" "OpenBabel::OBResidue *""'");  }
14541    arg1 = reinterpret_cast< OpenBabel::OBResidue * >(argp1);
14542   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBAtom_p_std__allocatorT_OpenBabel__OBAtom_p_t_t__iterator,  0 );
14543   if (!SWIG_IsOK(res2)) {
14544     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidue_NextAtom" "', argument " "2"" of type '" "std::vector< OpenBabel::OBAtom *,std::allocator< OpenBabel::OBAtom * > >::iterator &""'");  }
14545    if (!argp2) {
14546     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidue_NextAtom" "', argument " "2"" of type '" "std::vector< OpenBabel::OBAtom *,std::allocator< OpenBabel::OBAtom * > >::iterator &""'"); }
14547    arg2 = reinterpret_cast< std::vector< OpenBabel::OBAtom *,std::allocator< OpenBabel::OBAtom * > >::iterator * >(argp2);
14548   result = (OpenBabel::OBAtom *)(arg1)->NextAtom(*arg2);
14549   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
14550   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_Residue_set(SEXP s_Residue)14551 SWIGEXPORT SEXP R_swig_Residue_set ( SEXP s_Residue) { char (*arg1)[4] ; void *argp1 = 0 ; int res1 = 0 ;
14552   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14553   res1 = SWIG_R_ConvertPtr(s_Residue, &argp1, SWIGTYPE_p_a_4__char, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14554     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Residue_set" "', argument " "1"" of type '" "char [100][4]""'");  }
14555     arg1 = reinterpret_cast< char (*)[4] >(argp1); { if (arg1) { size_t ii = 0; for (; ii < (size_t)100; ++ii) { if (arg1[ii]) {
14556           size_t jj = 0; for (; jj < (size_t)4; ++jj) OpenBabel::Residue[ii][jj] = arg1[ii][jj]; }  else {
14557           SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in variable '""OpenBabel::Residue""' of type '""char [100][4]""'"); }
14558          }  }  else {
14559       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in variable '""OpenBabel::Residue""' of type '""char [100][4]""'"); }
14560      }  r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_Residue_get(SEXP s_swig_copy)14561 SWIGEXPORT SEXP R_swig_Residue_get ( SEXP s_swig_copy) { char (*result)[4] = 0 ; unsigned int r_nprotect = 0;
14562   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (char (*)[4])(char (*)[4])OpenBabel::Residue;
14563   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_a_4__char, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
14564   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_ElemDesc_set(SEXP s_ElemDesc)14565 SWIGEXPORT SEXP R_swig_ElemDesc_set ( SEXP s_ElemDesc) { char (*arg1)[4] ; void *argp1 = 0 ; int res1 = 0 ;
14566   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14567   res1 = SWIG_R_ConvertPtr(s_ElemDesc, &argp1, SWIGTYPE_p_a_4__char, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14568     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "ElemDesc_set" "', argument " "1"" of type '" "char [1024][4]""'");  }
14569     arg1 = reinterpret_cast< char (*)[4] >(argp1); { if (arg1) { size_t ii = 0; for (; ii < (size_t)1024; ++ii) {
14570         if (arg1[ii]) { size_t jj = 0; for (; jj < (size_t)4; ++jj) OpenBabel::ElemDesc[ii][jj] = arg1[ii][jj]; }  else {
14571           SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in variable '""OpenBabel::ElemDesc""' of type '""char [1024][4]""'"); }
14572          }  }  else {
14573       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in variable '""OpenBabel::ElemDesc""' of type '""char [1024][4]""'"); }
14574      }  r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_ElemDesc_get(SEXP s_swig_copy)14575 SWIGEXPORT SEXP R_swig_ElemDesc_get ( SEXP s_swig_copy) { char (*result)[4] = 0 ; unsigned int r_nprotect = 0;
14576   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (char (*)[4])(char (*)[4])OpenBabel::ElemDesc;
14577   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_a_4__char, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
14578   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_ResNo_set(SEXP s_ResNo)14579 SWIGEXPORT SEXP R_swig_ResNo_set ( SEXP s_ResNo) { unsigned int arg1 ; int val1 ; int ecode1 = 0 ; unsigned int r_nprotect = 0;
14580   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; ecode1 = SWIG_AsVal_int(s_ResNo, &val1); if (!SWIG_IsOK(ecode1)) {
14581     SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "ResNo_set" "', argument " "1"" of type '" "unsigned int""'"); }
14582   arg1 = static_cast< unsigned int >(val1); OpenBabel::ResNo = arg1; r_ans = R_NilValue; vmaxset(r_vmax);
14583   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_ResNo_get(SEXP s_swig_copy)14584 SWIGEXPORT SEXP R_swig_ResNo_get ( SEXP s_swig_copy) { unsigned int result; unsigned int r_nprotect = 0;
14585   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (unsigned int)OpenBabel::ResNo;
14586   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_ElemNo_set(SEXP s_ElemNo)14587 SWIGEXPORT SEXP R_swig_ElemNo_set ( SEXP s_ElemNo) { unsigned int arg1 ; int val1 ; int ecode1 = 0 ;
14588   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; ecode1 = SWIG_AsVal_int(s_ElemNo, &val1);
14589   if (!SWIG_IsOK(ecode1)) {
14590     SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "ElemNo_set" "', argument " "1"" of type '" "unsigned int""'"); }
14591   arg1 = static_cast< unsigned int >(val1); OpenBabel::ElemNo = arg1; r_ans = R_NilValue; vmaxset(r_vmax);
14592   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_ElemNo_get(SEXP s_swig_copy)14593 SWIGEXPORT SEXP R_swig_ElemNo_get ( SEXP s_swig_copy) { unsigned int result; unsigned int r_nprotect = 0;
14594   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (unsigned int)OpenBabel::ElemNo;
14595   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBInternalCoord__a_set(SEXP self,SEXP s_a)14596 SWIGEXPORT SEXP R_swig_OBInternalCoord__a_set ( SEXP self, SEXP s_a) {
14597   OpenBabel::OBInternalCoord *arg1 = (OpenBabel::OBInternalCoord *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
14598   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
14599   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBInternalCoord, 0 |  0 );
14600   if (!SWIG_IsOK(res1)) {
14601     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBInternalCoord__a_set" "', argument " "1"" of type '" "OpenBabel::OBInternalCoord *""'");  }
14602    arg1 = reinterpret_cast< OpenBabel::OBInternalCoord * >(argp1);
14603   res2 = SWIG_R_ConvertPtr(s_a, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res2)) {
14604     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBInternalCoord__a_set" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
14605    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); if (arg1) (arg1)->_a = arg2; r_ans = R_NilValue; vmaxset(r_vmax);
14606   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBInternalCoord__a_get(SEXP self)14607 SWIGEXPORT SEXP R_swig_OBInternalCoord__a_get ( SEXP self) { OpenBabel::OBAtom *result = 0 ;
14608   OpenBabel::OBInternalCoord *arg1 = (OpenBabel::OBInternalCoord *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
14609   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14610   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBInternalCoord, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14611     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBInternalCoord__a_get" "', argument " "1"" of type '" "OpenBabel::OBInternalCoord *""'");  }
14612    arg1 = reinterpret_cast< OpenBabel::OBInternalCoord * >(argp1); result = (OpenBabel::OBAtom *) ((arg1)->_a);
14613   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
14614   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBInternalCoord__b_set(SEXP self,SEXP s_b)14615 SWIGEXPORT SEXP R_swig_OBInternalCoord__b_set ( SEXP self, SEXP s_b) {
14616   OpenBabel::OBInternalCoord *arg1 = (OpenBabel::OBInternalCoord *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
14617   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
14618   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBInternalCoord, 0 |  0 );
14619   if (!SWIG_IsOK(res1)) {
14620     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBInternalCoord__b_set" "', argument " "1"" of type '" "OpenBabel::OBInternalCoord *""'");  }
14621    arg1 = reinterpret_cast< OpenBabel::OBInternalCoord * >(argp1);
14622   res2 = SWIG_R_ConvertPtr(s_b, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res2)) {
14623     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBInternalCoord__b_set" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
14624    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); if (arg1) (arg1)->_b = arg2; r_ans = R_NilValue; vmaxset(r_vmax);
14625   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBInternalCoord__b_get(SEXP self)14626 SWIGEXPORT SEXP R_swig_OBInternalCoord__b_get ( SEXP self) { OpenBabel::OBAtom *result = 0 ;
14627   OpenBabel::OBInternalCoord *arg1 = (OpenBabel::OBInternalCoord *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
14628   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14629   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBInternalCoord, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14630     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBInternalCoord__b_get" "', argument " "1"" of type '" "OpenBabel::OBInternalCoord *""'");  }
14631    arg1 = reinterpret_cast< OpenBabel::OBInternalCoord * >(argp1); result = (OpenBabel::OBAtom *) ((arg1)->_b);
14632   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
14633   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBInternalCoord__c_set(SEXP self,SEXP s_c)14634 SWIGEXPORT SEXP R_swig_OBInternalCoord__c_set ( SEXP self, SEXP s_c) {
14635   OpenBabel::OBInternalCoord *arg1 = (OpenBabel::OBInternalCoord *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
14636   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
14637   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBInternalCoord, 0 |  0 );
14638   if (!SWIG_IsOK(res1)) {
14639     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBInternalCoord__c_set" "', argument " "1"" of type '" "OpenBabel::OBInternalCoord *""'");  }
14640    arg1 = reinterpret_cast< OpenBabel::OBInternalCoord * >(argp1);
14641   res2 = SWIG_R_ConvertPtr(s_c, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res2)) {
14642     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBInternalCoord__c_set" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
14643    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); if (arg1) (arg1)->_c = arg2; r_ans = R_NilValue; vmaxset(r_vmax);
14644   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBInternalCoord__c_get(SEXP self)14645 SWIGEXPORT SEXP R_swig_OBInternalCoord__c_get ( SEXP self) { OpenBabel::OBAtom *result = 0 ;
14646   OpenBabel::OBInternalCoord *arg1 = (OpenBabel::OBInternalCoord *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
14647   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14648   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBInternalCoord, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14649     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBInternalCoord__c_get" "', argument " "1"" of type '" "OpenBabel::OBInternalCoord *""'");  }
14650    arg1 = reinterpret_cast< OpenBabel::OBInternalCoord * >(argp1); result = (OpenBabel::OBAtom *) ((arg1)->_c);
14651   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
14652   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBInternalCoord__dst_set(SEXP self,SEXP s_dst)14653 SWIGEXPORT SEXP R_swig_OBInternalCoord__dst_set ( SEXP self, SEXP s_dst) {
14654   OpenBabel::OBInternalCoord *arg1 = (OpenBabel::OBInternalCoord *) 0 ; double arg2 ; void *argp1 = 0 ; int res1 = 0 ;
14655   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14656   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBInternalCoord, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14657     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBInternalCoord__dst_set" "', argument " "1"" of type '" "OpenBabel::OBInternalCoord *""'");  }
14658    arg1 = reinterpret_cast< OpenBabel::OBInternalCoord * >(argp1); arg2 = static_cast< double >(REAL(s_dst)[0]);
14659   if (arg1) (arg1)->_dst = arg2; r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBInternalCoord__dst_get(SEXP self,SEXP s_swig_copy)14660 SWIGEXPORT SEXP R_swig_OBInternalCoord__dst_get ( SEXP self, SEXP s_swig_copy) { double result;
14661   OpenBabel::OBInternalCoord *arg1 = (OpenBabel::OBInternalCoord *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
14662   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14663   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBInternalCoord, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14664     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBInternalCoord__dst_get" "', argument " "1"" of type '" "OpenBabel::OBInternalCoord *""'");  }
14665    arg1 = reinterpret_cast< OpenBabel::OBInternalCoord * >(argp1); result = (double) ((arg1)->_dst);
14666   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
14667   return r_ans; }
R_swig_OBInternalCoord__ang_set(SEXP self,SEXP s_ang)14668 SWIGEXPORT SEXP R_swig_OBInternalCoord__ang_set ( SEXP self, SEXP s_ang) {
14669   OpenBabel::OBInternalCoord *arg1 = (OpenBabel::OBInternalCoord *) 0 ; double arg2 ; void *argp1 = 0 ; int res1 = 0 ;
14670   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14671   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBInternalCoord, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14672     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBInternalCoord__ang_set" "', argument " "1"" of type '" "OpenBabel::OBInternalCoord *""'");  }
14673    arg1 = reinterpret_cast< OpenBabel::OBInternalCoord * >(argp1); arg2 = static_cast< double >(REAL(s_ang)[0]);
14674   if (arg1) (arg1)->_ang = arg2; r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBInternalCoord__ang_get(SEXP self,SEXP s_swig_copy)14675 SWIGEXPORT SEXP R_swig_OBInternalCoord__ang_get ( SEXP self, SEXP s_swig_copy) { double result;
14676   OpenBabel::OBInternalCoord *arg1 = (OpenBabel::OBInternalCoord *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
14677   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14678   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBInternalCoord, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14679     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBInternalCoord__ang_get" "', argument " "1"" of type '" "OpenBabel::OBInternalCoord *""'");  }
14680    arg1 = reinterpret_cast< OpenBabel::OBInternalCoord * >(argp1); result = (double) ((arg1)->_ang);
14681   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
14682   return r_ans; }
R_swig_OBInternalCoord__tor_set(SEXP self,SEXP s_tor)14683 SWIGEXPORT SEXP R_swig_OBInternalCoord__tor_set ( SEXP self, SEXP s_tor) {
14684   OpenBabel::OBInternalCoord *arg1 = (OpenBabel::OBInternalCoord *) 0 ; double arg2 ; void *argp1 = 0 ; int res1 = 0 ;
14685   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14686   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBInternalCoord, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14687     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBInternalCoord__tor_set" "', argument " "1"" of type '" "OpenBabel::OBInternalCoord *""'");  }
14688    arg1 = reinterpret_cast< OpenBabel::OBInternalCoord * >(argp1); arg2 = static_cast< double >(REAL(s_tor)[0]);
14689   if (arg1) (arg1)->_tor = arg2; r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBInternalCoord__tor_get(SEXP self,SEXP s_swig_copy)14690 SWIGEXPORT SEXP R_swig_OBInternalCoord__tor_get ( SEXP self, SEXP s_swig_copy) { double result;
14691   OpenBabel::OBInternalCoord *arg1 = (OpenBabel::OBInternalCoord *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
14692   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14693   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBInternalCoord, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14694     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBInternalCoord__tor_get" "', argument " "1"" of type '" "OpenBabel::OBInternalCoord *""'");  }
14695    arg1 = reinterpret_cast< OpenBabel::OBInternalCoord * >(argp1); result = (double) ((arg1)->_tor);
14696   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
14697   return r_ans; }
R_swig_new_OBInternalCoord__SWIG_0(SEXP a,SEXP b,SEXP c,SEXP dst,SEXP ang,SEXP tor)14698 SWIGEXPORT SEXP R_swig_new_OBInternalCoord__SWIG_0 ( SEXP a, SEXP b, SEXP c, SEXP dst, SEXP ang, SEXP tor) {
14699   OpenBabel::OBInternalCoord *result = 0 ; OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ;
14700   OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; OpenBabel::OBAtom *arg3 = (OpenBabel::OBAtom *) 0 ; double arg4 ;
14701   double arg5 ; double arg6 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ;
14702   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14703   res1 = SWIG_R_ConvertPtr(a, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14704     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBInternalCoord" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
14705    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1);
14706   res2 = SWIG_R_ConvertPtr(b, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
14707     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_OBInternalCoord" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
14708    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2);
14709   res3 = SWIG_R_ConvertPtr(c, &argp3, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res3)) {
14710     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "new_OBInternalCoord" "', argument " "3"" of type '" "OpenBabel::OBAtom *""'");  }
14711    arg3 = reinterpret_cast< OpenBabel::OBAtom * >(argp3); arg4 = static_cast< double >(REAL(dst)[0]);
14712   arg5 = static_cast< double >(REAL(ang)[0]); arg6 = static_cast< double >(REAL(tor)[0]);
14713   result = (OpenBabel::OBInternalCoord *)new OpenBabel::OBInternalCoord(arg1,arg2,arg3,arg4,arg5,arg6);
14714   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBInternalCoord, R_SWIG_OWNER |  0 );
14715   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBInternalCoord__SWIG_1(SEXP a,SEXP b,SEXP c,SEXP dst,SEXP ang)14716 SWIGEXPORT SEXP R_swig_new_OBInternalCoord__SWIG_1 ( SEXP a, SEXP b, SEXP c, SEXP dst, SEXP ang) {
14717   OpenBabel::OBInternalCoord *result = 0 ; OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ;
14718   OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; OpenBabel::OBAtom *arg3 = (OpenBabel::OBAtom *) 0 ; double arg4 ;
14719   double arg5 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ;
14720   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14721   res1 = SWIG_R_ConvertPtr(a, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14722     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBInternalCoord" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
14723    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1);
14724   res2 = SWIG_R_ConvertPtr(b, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
14725     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_OBInternalCoord" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
14726    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2);
14727   res3 = SWIG_R_ConvertPtr(c, &argp3, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res3)) {
14728     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "new_OBInternalCoord" "', argument " "3"" of type '" "OpenBabel::OBAtom *""'");  }
14729    arg3 = reinterpret_cast< OpenBabel::OBAtom * >(argp3); arg4 = static_cast< double >(REAL(dst)[0]);
14730   arg5 = static_cast< double >(REAL(ang)[0]);
14731   result = (OpenBabel::OBInternalCoord *)new OpenBabel::OBInternalCoord(arg1,arg2,arg3,arg4,arg5);
14732   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBInternalCoord, R_SWIG_OWNER |  0 );
14733   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBInternalCoord__SWIG_2(SEXP a,SEXP b,SEXP c,SEXP dst)14734 SWIGEXPORT SEXP R_swig_new_OBInternalCoord__SWIG_2 ( SEXP a, SEXP b, SEXP c, SEXP dst) {
14735   OpenBabel::OBInternalCoord *result = 0 ; OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ;
14736   OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; OpenBabel::OBAtom *arg3 = (OpenBabel::OBAtom *) 0 ; double arg4 ;
14737   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ;
14738   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14739   res1 = SWIG_R_ConvertPtr(a, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14740     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBInternalCoord" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
14741    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1);
14742   res2 = SWIG_R_ConvertPtr(b, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
14743     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_OBInternalCoord" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
14744    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2);
14745   res3 = SWIG_R_ConvertPtr(c, &argp3, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res3)) {
14746     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "new_OBInternalCoord" "', argument " "3"" of type '" "OpenBabel::OBAtom *""'");  }
14747    arg3 = reinterpret_cast< OpenBabel::OBAtom * >(argp3); arg4 = static_cast< double >(REAL(dst)[0]);
14748   result = (OpenBabel::OBInternalCoord *)new OpenBabel::OBInternalCoord(arg1,arg2,arg3,arg4);
14749   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBInternalCoord, R_SWIG_OWNER |  0 );
14750   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBInternalCoord__SWIG_3(SEXP a,SEXP b,SEXP c)14751 SWIGEXPORT SEXP R_swig_new_OBInternalCoord__SWIG_3 ( SEXP a, SEXP b, SEXP c) { OpenBabel::OBInternalCoord *result = 0 ;
14752   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
14753   OpenBabel::OBAtom *arg3 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
14754   void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14755   res1 = SWIG_R_ConvertPtr(a, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14756     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBInternalCoord" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
14757    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1);
14758   res2 = SWIG_R_ConvertPtr(b, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
14759     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_OBInternalCoord" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
14760    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2);
14761   res3 = SWIG_R_ConvertPtr(c, &argp3, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res3)) {
14762     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "new_OBInternalCoord" "', argument " "3"" of type '" "OpenBabel::OBAtom *""'");  }
14763    arg3 = reinterpret_cast< OpenBabel::OBAtom * >(argp3);
14764   result = (OpenBabel::OBInternalCoord *)new OpenBabel::OBInternalCoord(arg1,arg2,arg3);
14765   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBInternalCoord, R_SWIG_OWNER |  0 );
14766   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBInternalCoord__SWIG_4(SEXP a,SEXP b)14767 SWIGEXPORT SEXP R_swig_new_OBInternalCoord__SWIG_4 ( SEXP a, SEXP b) { OpenBabel::OBInternalCoord *result = 0 ;
14768   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ;
14769   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
14770   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(a, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
14771   if (!SWIG_IsOK(res1)) {
14772     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBInternalCoord" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
14773    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1);
14774   res2 = SWIG_R_ConvertPtr(b, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
14775     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_OBInternalCoord" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
14776    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2);
14777   result = (OpenBabel::OBInternalCoord *)new OpenBabel::OBInternalCoord(arg1,arg2);
14778   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBInternalCoord, R_SWIG_OWNER |  0 );
14779   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBInternalCoord__SWIG_5(SEXP a)14780 SWIGEXPORT SEXP R_swig_new_OBInternalCoord__SWIG_5 ( SEXP a) { OpenBabel::OBInternalCoord *result = 0 ;
14781   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
14782   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14783   res1 = SWIG_R_ConvertPtr(a, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14784     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBInternalCoord" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
14785    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1);
14786   result = (OpenBabel::OBInternalCoord *)new OpenBabel::OBInternalCoord(arg1);
14787   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBInternalCoord, R_SWIG_OWNER |  0 );
14788   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBInternalCoord__SWIG_6()14789 SWIGEXPORT SEXP R_swig_new_OBInternalCoord__SWIG_6 ( ) { OpenBabel::OBInternalCoord *result = 0 ; unsigned int r_nprotect = 0;
14790   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14791   result = (OpenBabel::OBInternalCoord *)new OpenBabel::OBInternalCoord();
14792   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBInternalCoord, R_SWIG_OWNER |  0 );
14793   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBInternalCoord(SEXP self)14794 SWIGEXPORT SEXP R_swig_delete_OBInternalCoord ( SEXP self) {
14795   OpenBabel::OBInternalCoord *arg1 = (OpenBabel::OBInternalCoord *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
14796   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14797   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBInternalCoord, SWIG_POINTER_DISOWN |  0 );
14798   if (!SWIG_IsOK(res1)) {
14799     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBInternalCoord" "', argument " "1"" of type '" "OpenBabel::OBInternalCoord *""'");  }
14800    arg1 = reinterpret_cast< OpenBabel::OBInternalCoord * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
14801   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBAtom_Visit_set(SEXP self,SEXP s_Visit)14802 SWIGEXPORT SEXP R_swig_OBAtom_Visit_set ( SEXP self, SEXP s_Visit) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ;
14803   bool arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
14804   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
14805   if (!SWIG_IsOK(res1)) {
14806     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
14807    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); arg2 = LOGICAL(s_Visit)[0] ? true : false;
14808   if (arg1) (arg1)->Visit = arg2; r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_Visit_get(SEXP self,SEXP s_swig_copy)14809 SWIGEXPORT SEXP R_swig_OBAtom_Visit_get ( SEXP self, SEXP s_swig_copy) { bool result;
14810   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
14811   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14812   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14813     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
14814    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (bool) ((arg1)->Visit); r_ans = Rf_ScalarLogical(result);
14815   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBAtom()14816 SWIGEXPORT SEXP R_swig_new_OBAtom ( ) { OpenBabel::OBAtom *result = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
14817   VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBAtom *)new OpenBabel::OBAtom();
14818   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
14819   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBAtom(SEXP self)14820 SWIGEXPORT SEXP R_swig_delete_OBAtom ( SEXP self) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ;
14821   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14822   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
14823     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBAtom" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
14824    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
14825   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBAtom_Duplicate(SEXP self,SEXP s_arg2)14826 SWIGEXPORT SEXP R_swig_OBAtom_Duplicate ( SEXP self, SEXP s_arg2) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ;
14827   OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
14828   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14829   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14830     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_Duplicate" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
14831    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1);
14832   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
14833     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtom_Duplicate" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
14834    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); (arg1)->Duplicate(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
14835   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_SetIdx(SEXP self,SEXP idx)14836 SWIGEXPORT SEXP R_swig_OBAtom_SetIdx ( SEXP self, SEXP idx) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; int arg2 ;
14837   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14838   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14839     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_SetIdx" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
14840    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); arg2 = static_cast< int >(INTEGER(idx)[0]); (arg1)->SetIdx(arg2);
14841   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_SetId(SEXP self,SEXP id)14842 SWIGEXPORT SEXP R_swig_OBAtom_SetId ( SEXP self, SEXP id) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ;
14843   unsigned long arg2 ; void *argp1 = 0 ; int res1 = 0 ; long val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0;
14844   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14845   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14846     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_SetId" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
14847    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); ecode2 = SWIG_AsVal_long(id, &val2); if (!SWIG_IsOK(ecode2)) {
14848     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBAtom_SetId" "', argument " "2"" of type '" "unsigned long""'"); }
14849     arg2 = static_cast< unsigned long >(val2); (arg1)->SetId(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
14850   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_SetHyb(SEXP self,SEXP hyb)14851 SWIGEXPORT SEXP R_swig_OBAtom_SetHyb ( SEXP self, SEXP hyb) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; int arg2 ;
14852   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14853   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14854     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_SetHyb" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
14855    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); arg2 = static_cast< int >(INTEGER(hyb)[0]); (arg1)->SetHyb(arg2);
14856   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_SetAtomicNum(SEXP self,SEXP atomicnum)14857 SWIGEXPORT SEXP R_swig_OBAtom_SetAtomicNum ( SEXP self, SEXP atomicnum) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ;
14858   int arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
14859   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
14860   if (!SWIG_IsOK(res1)) {
14861     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_SetAtomicNum" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
14862    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); arg2 = static_cast< int >(INTEGER(atomicnum)[0]);
14863   (arg1)->SetAtomicNum(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_SetIsotope(SEXP self,SEXP iso)14864 SWIGEXPORT SEXP R_swig_OBAtom_SetIsotope ( SEXP self, SEXP iso) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ;
14865   unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0;
14866   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14867   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14868     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_SetIsotope" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
14869    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); ecode2 = SWIG_AsVal_int(iso, &val2); if (!SWIG_IsOK(ecode2)) {
14870     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBAtom_SetIsotope" "', argument " "2"" of type '" "unsigned int""'"); }
14871     arg2 = static_cast< unsigned int >(val2); (arg1)->SetIsotope(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
14872   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_SetImplicitValence(SEXP self,SEXP val)14873 SWIGEXPORT SEXP R_swig_OBAtom_SetImplicitValence ( SEXP self, SEXP val) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ;
14874   int arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
14875   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
14876   if (!SWIG_IsOK(res1)) {
14877     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_SetImplicitValence" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
14878    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); arg2 = static_cast< int >(INTEGER(val)[0]);
14879   (arg1)->SetImplicitValence(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
14880   return r_ans; }
R_swig_OBAtom_IncrementImplicitValence(SEXP self)14881 SWIGEXPORT SEXP R_swig_OBAtom_IncrementImplicitValence ( SEXP self) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ;
14882   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14883   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14884     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_IncrementImplicitValence" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
14885    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); (arg1)->IncrementImplicitValence(); r_ans = R_NilValue;
14886   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_DecrementImplicitValence(SEXP self)14887 SWIGEXPORT SEXP R_swig_OBAtom_DecrementImplicitValence ( SEXP self) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ;
14888   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14889   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14890     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_DecrementImplicitValence" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
14891    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); (arg1)->DecrementImplicitValence(); r_ans = R_NilValue;
14892   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_SetFormalCharge(SEXP self,SEXP fcharge)14893 SWIGEXPORT SEXP R_swig_OBAtom_SetFormalCharge ( SEXP self, SEXP fcharge) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ;
14894   int arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
14895   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
14896   if (!SWIG_IsOK(res1)) {
14897     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_SetFormalCharge" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
14898    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); arg2 = static_cast< int >(INTEGER(fcharge)[0]);
14899   (arg1)->SetFormalCharge(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_SetSpinMultiplicity(SEXP self,SEXP spin)14900 SWIGEXPORT SEXP R_swig_OBAtom_SetSpinMultiplicity ( SEXP self, SEXP spin) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ;
14901   short arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0;
14902   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14903   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14904     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_SetSpinMultiplicity" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
14905    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); ecode2 = SWIG_AsVal_int(spin, &val2); if (!SWIG_IsOK(ecode2)) {
14906     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBAtom_SetSpinMultiplicity" "', argument " "2"" of type '" "short""'"); }
14907     arg2 = static_cast< short >(val2); (arg1)->SetSpinMultiplicity(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
14908   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_SetType(SEXP self,SEXP type)14909 SWIGEXPORT SEXP R_swig_OBAtom_SetType ( SEXP self, SEXP type) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ;
14910   std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ; int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0;
14911   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14912   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14913     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_SetType" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
14914    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); { std::string *ptr = (std::string *)0;
14915     res2 = SWIG_AsPtr_std_string(type, &ptr); if (!SWIG_IsOK(res2)) {
14916       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtom_SetType" "', argument " "2"" of type '" "std::string const &""'"); }
14917      if (!ptr) {
14918       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtom_SetType" "', argument " "2"" of type '" "std::string const &""'"); }
14919      arg2 = ptr; }  (arg1)->SetType((std::string const &)*arg2); r_ans = R_NilValue; if (SWIG_IsNewObj(res2)) delete arg2;
14920   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_SetPartialCharge(SEXP self,SEXP pcharge)14921 SWIGEXPORT SEXP R_swig_OBAtom_SetPartialCharge ( SEXP self, SEXP pcharge) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ;
14922   double arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
14923   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
14924   if (!SWIG_IsOK(res1)) {
14925     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_SetPartialCharge" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
14926    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); arg2 = static_cast< double >(REAL(pcharge)[0]);
14927   (arg1)->SetPartialCharge(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_SetVector__SWIG_0(SEXP self,SEXP v)14928 SWIGEXPORT SEXP R_swig_OBAtom_SetVector__SWIG_0 ( SEXP self, SEXP v) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ;
14929   OpenBabel::vector3 *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0;
14930   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14931   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14932     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_SetVector" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
14933    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1);
14934   res2 = SWIG_R_ConvertPtr(v, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
14935     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtom_SetVector" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'");  }
14936    if (!argp2) {
14937     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtom_SetVector" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'"); }
14938    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2); (arg1)->SetVector((OpenBabel::vector3 const &)*arg2);
14939   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_SetVector__SWIG_1(SEXP self,SEXP x,SEXP y,SEXP z)14940 SWIGEXPORT SEXP R_swig_OBAtom_SetVector__SWIG_1 ( SEXP self, SEXP x, SEXP y, SEXP z) {
14941   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; double arg2 ; double arg3 ; double arg4 ; void *argp1 = 0 ; int res1 = 0 ;
14942   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14943   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14944     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_SetVector" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
14945    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); arg2 = static_cast< double >(REAL(x)[0]);
14946   arg3 = static_cast< double >(REAL(y)[0]); arg4 = static_cast< double >(REAL(z)[0]); (arg1)->SetVector(arg2,arg3,arg4);
14947   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_SetCoordPtr(SEXP self,SEXP c)14948 SWIGEXPORT SEXP R_swig_OBAtom_SetCoordPtr ( SEXP self, SEXP c) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ;
14949   double **arg2 = (double **) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0;
14950   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14951   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14952     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_SetCoordPtr" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
14953    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); res2 = SWIG_R_ConvertPtr(c, &argp2, SWIGTYPE_p_p_double, 0 |  0 );
14954   if (!SWIG_IsOK(res2)) {
14955     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtom_SetCoordPtr" "', argument " "2"" of type '" "double **""'");  }
14956    arg2 = reinterpret_cast< double ** >(argp2); (arg1)->SetCoordPtr(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
14957   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_SetVector__SWIG_2(SEXP self)14958 SWIGEXPORT SEXP R_swig_OBAtom_SetVector__SWIG_2 ( SEXP self) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ;
14959   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14960   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14961     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_SetVector" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
14962    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); (arg1)->SetVector(); r_ans = R_NilValue; vmaxset(r_vmax);
14963   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_SetResidue(SEXP self,SEXP res)14964 SWIGEXPORT SEXP R_swig_OBAtom_SetResidue ( SEXP self, SEXP res) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ;
14965   OpenBabel::OBResidue *arg2 = (OpenBabel::OBResidue *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
14966   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14967   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14968     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_SetResidue" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
14969    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1);
14970   res2 = SWIG_R_ConvertPtr(res, &argp2, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 ); if (!SWIG_IsOK(res2)) {
14971     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtom_SetResidue" "', argument " "2"" of type '" "OpenBabel::OBResidue *""'");  }
14972    arg2 = reinterpret_cast< OpenBabel::OBResidue * >(argp2); (arg1)->SetResidue(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
14973   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_SetParent(SEXP self,SEXP ptr)14974 SWIGEXPORT SEXP R_swig_OBAtom_SetParent ( SEXP self, SEXP ptr) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ;
14975   OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
14976   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14977   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14978     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_SetParent" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
14979    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1);
14980   res2 = SWIG_R_ConvertPtr(ptr, &argp2, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res2)) {
14981     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtom_SetParent" "', argument " "2"" of type '" "OpenBabel::OBMol *""'");  }
14982    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); (arg1)->SetParent(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
14983   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_SetAromatic(SEXP self)14984 SWIGEXPORT SEXP R_swig_OBAtom_SetAromatic ( SEXP self) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ;
14985   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14986   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14987     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_SetAromatic" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
14988    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); (arg1)->SetAromatic(); r_ans = R_NilValue; vmaxset(r_vmax);
14989   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_UnsetAromatic(SEXP self)14990 SWIGEXPORT SEXP R_swig_OBAtom_UnsetAromatic ( SEXP self) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ;
14991   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14992   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14993     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_UnsetAromatic" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
14994    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); (arg1)->UnsetAromatic(); r_ans = R_NilValue; vmaxset(r_vmax);
14995   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_SetClockwiseStereo(SEXP self)14996 SWIGEXPORT SEXP R_swig_OBAtom_SetClockwiseStereo ( SEXP self) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ;
14997   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
14998   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
14999     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_SetClockwiseStereo" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15000    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); (arg1)->SetClockwiseStereo(); r_ans = R_NilValue; vmaxset(r_vmax);
15001   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_SetAntiClockwiseStereo(SEXP self)15002 SWIGEXPORT SEXP R_swig_OBAtom_SetAntiClockwiseStereo ( SEXP self) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ;
15003   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15004   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15005     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_SetAntiClockwiseStereo" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15006    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); (arg1)->SetAntiClockwiseStereo(); r_ans = R_NilValue; vmaxset(r_vmax);
15007   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_SetPositiveStereo(SEXP self)15008 SWIGEXPORT SEXP R_swig_OBAtom_SetPositiveStereo ( SEXP self) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ;
15009   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15010   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15011     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_SetPositiveStereo" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15012    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); (arg1)->SetPositiveStereo(); r_ans = R_NilValue; vmaxset(r_vmax);
15013   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_SetNegativeStereo(SEXP self)15014 SWIGEXPORT SEXP R_swig_OBAtom_SetNegativeStereo ( SEXP self) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ;
15015   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15016   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15017     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_SetNegativeStereo" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15018    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); (arg1)->SetNegativeStereo(); r_ans = R_NilValue; vmaxset(r_vmax);
15019   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_UnsetStereo(SEXP self)15020 SWIGEXPORT SEXP R_swig_OBAtom_UnsetStereo ( SEXP self) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ;
15021   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15022   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15023     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_UnsetStereo" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15024    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); (arg1)->UnsetStereo(); r_ans = R_NilValue; vmaxset(r_vmax);
15025   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_SetInRing(SEXP self)15026 SWIGEXPORT SEXP R_swig_OBAtom_SetInRing ( SEXP self) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ;
15027   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15028   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15029     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_SetInRing" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15030    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); (arg1)->SetInRing(); r_ans = R_NilValue; vmaxset(r_vmax);
15031   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_SetChiral(SEXP self)15032 SWIGEXPORT SEXP R_swig_OBAtom_SetChiral ( SEXP self) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ;
15033   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15034   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15035     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_SetChiral" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15036    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); (arg1)->SetChiral(); r_ans = R_NilValue; vmaxset(r_vmax);
15037   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_ClearCoordPtr(SEXP self)15038 SWIGEXPORT SEXP R_swig_OBAtom_ClearCoordPtr ( SEXP self) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ;
15039   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15040   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15041     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_ClearCoordPtr" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15042    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); (arg1)->ClearCoordPtr(); r_ans = R_NilValue; vmaxset(r_vmax);
15043   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_GetFormalCharge(SEXP self,SEXP s_swig_copy)15044 SWIGEXPORT SEXP R_swig_OBAtom_GetFormalCharge ( SEXP self, SEXP s_swig_copy) { int result;
15045   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15046   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15047   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15048     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_GetFormalCharge" "', argument " "1"" of type '" "OpenBabel::OBAtom const *""'");  }
15049    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (int)((OpenBabel::OBAtom const *)arg1)->GetFormalCharge();
15050   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_GetAtomicNum(SEXP self,SEXP s_swig_copy)15051 SWIGEXPORT SEXP R_swig_OBAtom_GetAtomicNum ( SEXP self, SEXP s_swig_copy) { unsigned int result;
15052   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15053   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15054   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15055     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_GetAtomicNum" "', argument " "1"" of type '" "OpenBabel::OBAtom const *""'");  }
15056    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1);
15057   result = (unsigned int)((OpenBabel::OBAtom const *)arg1)->GetAtomicNum(); r_ans = SWIG_From_int(static_cast< int >(result));
15058   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_GetIsotope(SEXP self,SEXP s_swig_copy)15059 SWIGEXPORT SEXP R_swig_OBAtom_GetIsotope ( SEXP self, SEXP s_swig_copy) { unsigned short result;
15060   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15061   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15062   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15063     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_GetIsotope" "', argument " "1"" of type '" "OpenBabel::OBAtom const *""'");  }
15064    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1);
15065   result = (unsigned short)((OpenBabel::OBAtom const *)arg1)->GetIsotope(); r_ans = SWIG_From_int(static_cast< int >(result));
15066   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_GetSpinMultiplicity(SEXP self,SEXP s_swig_copy)15067 SWIGEXPORT SEXP R_swig_OBAtom_GetSpinMultiplicity ( SEXP self, SEXP s_swig_copy) { int result;
15068   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15069   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15070   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15071     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_GetSpinMultiplicity" "', argument " "1"" of type '" "OpenBabel::OBAtom const *""'");  }
15072    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1);
15073   result = (int)((OpenBabel::OBAtom const *)arg1)->GetSpinMultiplicity(); r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax);
15074   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_GetAtomicMass(SEXP self,SEXP s_swig_copy)15075 SWIGEXPORT SEXP R_swig_OBAtom_GetAtomicMass ( SEXP self, SEXP s_swig_copy) { double result;
15076   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15077   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15078   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15079     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_GetAtomicMass" "', argument " "1"" of type '" "OpenBabel::OBAtom const *""'");  }
15080    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (double)((OpenBabel::OBAtom const *)arg1)->GetAtomicMass();
15081   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
15082   return r_ans; }
R_swig_OBAtom_GetExactMass(SEXP self,SEXP s_swig_copy)15083 SWIGEXPORT SEXP R_swig_OBAtom_GetExactMass ( SEXP self, SEXP s_swig_copy) { double result;
15084   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15085   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15086   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15087     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_GetExactMass" "', argument " "1"" of type '" "OpenBabel::OBAtom const *""'");  }
15088    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (double)((OpenBabel::OBAtom const *)arg1)->GetExactMass();
15089   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
15090   return r_ans; }
R_swig_OBAtom_GetIdx(SEXP self,SEXP s_swig_copy)15091 SWIGEXPORT SEXP R_swig_OBAtom_GetIdx ( SEXP self, SEXP s_swig_copy) { unsigned int result;
15092   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15093   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15094   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15095     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_GetIdx" "', argument " "1"" of type '" "OpenBabel::OBAtom const *""'");  }
15096    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (unsigned int)((OpenBabel::OBAtom const *)arg1)->GetIdx();
15097   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_GetIndex(SEXP self,SEXP s_swig_copy)15098 SWIGEXPORT SEXP R_swig_OBAtom_GetIndex ( SEXP self, SEXP s_swig_copy) { unsigned int result;
15099   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15100   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15101   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15102     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_GetIndex" "', argument " "1"" of type '" "OpenBabel::OBAtom const *""'");  }
15103    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (unsigned int)((OpenBabel::OBAtom const *)arg1)->GetIndex();
15104   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_GetId(SEXP self,SEXP s_swig_copy)15105 SWIGEXPORT SEXP R_swig_OBAtom_GetId ( SEXP self, SEXP s_swig_copy) { unsigned long result;
15106   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15107   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15108   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15109     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_GetId" "', argument " "1"" of type '" "OpenBabel::OBAtom const *""'");  }
15110    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (unsigned long)((OpenBabel::OBAtom const *)arg1)->GetId();
15111   r_ans = SWIG_From_long(static_cast< long >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_GetCoordinateIdx(SEXP self,SEXP s_swig_copy)15112 SWIGEXPORT SEXP R_swig_OBAtom_GetCoordinateIdx ( SEXP self, SEXP s_swig_copy) { unsigned int result;
15113   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15114   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15115   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15116     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_GetCoordinateIdx" "', argument " "1"" of type '" "OpenBabel::OBAtom const *""'");  }
15117    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1);
15118   result = (unsigned int)((OpenBabel::OBAtom const *)arg1)->GetCoordinateIdx();
15119   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_GetCIdx(SEXP self,SEXP s_swig_copy)15120 SWIGEXPORT SEXP R_swig_OBAtom_GetCIdx ( SEXP self, SEXP s_swig_copy) { unsigned int result;
15121   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15122   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15123   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15124     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_GetCIdx" "', argument " "1"" of type '" "OpenBabel::OBAtom const *""'");  }
15125    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (unsigned int)((OpenBabel::OBAtom const *)arg1)->GetCIdx();
15126   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_GetValence(SEXP self,SEXP s_swig_copy)15127 SWIGEXPORT SEXP R_swig_OBAtom_GetValence ( SEXP self, SEXP s_swig_copy) { unsigned int result;
15128   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15129   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15130   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15131     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_GetValence" "', argument " "1"" of type '" "OpenBabel::OBAtom const *""'");  }
15132    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1);
15133   result = (unsigned int)((OpenBabel::OBAtom const *)arg1)->GetValence(); r_ans = SWIG_From_int(static_cast< int >(result));
15134   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_GetHyb(SEXP self,SEXP s_swig_copy)15135 SWIGEXPORT SEXP R_swig_OBAtom_GetHyb ( SEXP self, SEXP s_swig_copy) { unsigned int result;
15136   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15137   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15138   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15139     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_GetHyb" "', argument " "1"" of type '" "OpenBabel::OBAtom const *""'");  }
15140    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (unsigned int)((OpenBabel::OBAtom const *)arg1)->GetHyb();
15141   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_GetImplicitValence(SEXP self,SEXP s_swig_copy)15142 SWIGEXPORT SEXP R_swig_OBAtom_GetImplicitValence ( SEXP self, SEXP s_swig_copy) { unsigned int result;
15143   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15144   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15145   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15146     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_GetImplicitValence" "', argument " "1"" of type '" "OpenBabel::OBAtom const *""'");  }
15147    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1);
15148   result = (unsigned int)((OpenBabel::OBAtom const *)arg1)->GetImplicitValence();
15149   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_GetHvyValence(SEXP self,SEXP s_swig_copy)15150 SWIGEXPORT SEXP R_swig_OBAtom_GetHvyValence ( SEXP self, SEXP s_swig_copy) { unsigned int result;
15151   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15152   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15153   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15154     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_GetHvyValence" "', argument " "1"" of type '" "OpenBabel::OBAtom const *""'");  }
15155    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1);
15156   result = (unsigned int)((OpenBabel::OBAtom const *)arg1)->GetHvyValence(); r_ans = SWIG_From_int(static_cast< int >(result));
15157   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_GetHeteroValence(SEXP self,SEXP s_swig_copy)15158 SWIGEXPORT SEXP R_swig_OBAtom_GetHeteroValence ( SEXP self, SEXP s_swig_copy) { unsigned int result;
15159   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15160   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15161   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15162     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_GetHeteroValence" "', argument " "1"" of type '" "OpenBabel::OBAtom const *""'");  }
15163    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1);
15164   result = (unsigned int)((OpenBabel::OBAtom const *)arg1)->GetHeteroValence();
15165   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_GetType(SEXP self)15166 SWIGEXPORT SEXP R_swig_OBAtom_GetType ( SEXP self) { char *result = 0 ; OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ;
15167   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15168   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15169     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_GetType" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15170    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (char *)(arg1)->GetType();
15171   r_ans = result ? Rf_mkString(reinterpret_cast< char * >(result)) : R_NilValue; vmaxset(r_vmax);
15172   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_GetX(SEXP self,SEXP s_swig_copy)15173 SWIGEXPORT SEXP R_swig_OBAtom_GetX ( SEXP self, SEXP s_swig_copy) { double result;
15174   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15175   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15176   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15177     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_GetX" "', argument " "1"" of type '" "OpenBabel::OBAtom const *""'");  }
15178    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (double)((OpenBabel::OBAtom const *)arg1)->GetX();
15179   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
15180   return r_ans; }
R_swig_OBAtom_GetY(SEXP self,SEXP s_swig_copy)15181 SWIGEXPORT SEXP R_swig_OBAtom_GetY ( SEXP self, SEXP s_swig_copy) { double result;
15182   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15183   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15184   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15185     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_GetY" "', argument " "1"" of type '" "OpenBabel::OBAtom const *""'");  }
15186    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (double)((OpenBabel::OBAtom const *)arg1)->GetY();
15187   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
15188   return r_ans; }
R_swig_OBAtom_GetZ(SEXP self,SEXP s_swig_copy)15189 SWIGEXPORT SEXP R_swig_OBAtom_GetZ ( SEXP self, SEXP s_swig_copy) { double result;
15190   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15191   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15192   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15193     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_GetZ" "', argument " "1"" of type '" "OpenBabel::OBAtom const *""'");  }
15194    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (double)((OpenBabel::OBAtom const *)arg1)->GetZ();
15195   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
15196   return r_ans; }
R_swig_OBAtom_x(SEXP self,SEXP s_swig_copy)15197 SWIGEXPORT SEXP R_swig_OBAtom_x ( SEXP self, SEXP s_swig_copy) { double result;
15198   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15199   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15200   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15201     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_x" "', argument " "1"" of type '" "OpenBabel::OBAtom const *""'");  }
15202    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (double)((OpenBabel::OBAtom const *)arg1)->x();
15203   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
15204   return r_ans; }
R_swig_OBAtom_y(SEXP self,SEXP s_swig_copy)15205 SWIGEXPORT SEXP R_swig_OBAtom_y ( SEXP self, SEXP s_swig_copy) { double result;
15206   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15207   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15208   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15209     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_y" "', argument " "1"" of type '" "OpenBabel::OBAtom const *""'");  }
15210    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (double)((OpenBabel::OBAtom const *)arg1)->y();
15211   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
15212   return r_ans; }
R_swig_OBAtom_z(SEXP self,SEXP s_swig_copy)15213 SWIGEXPORT SEXP R_swig_OBAtom_z ( SEXP self, SEXP s_swig_copy) { double result;
15214   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15215   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15216   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15217     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_z" "', argument " "1"" of type '" "OpenBabel::OBAtom const *""'");  }
15218    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (double)((OpenBabel::OBAtom const *)arg1)->z();
15219   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
15220   return r_ans; }
R_swig_OBAtom_GetCoordinate(SEXP self)15221 SWIGEXPORT SEXP R_swig_OBAtom_GetCoordinate ( SEXP self) { double *result = 0 ;
15222   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15223   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15224   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15225     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_GetCoordinate" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15226    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (double *)(arg1)->GetCoordinate();
15227   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_double, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
15228   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_GetVector(SEXP self,SEXP s_swig_copy)15229 SWIGEXPORT SEXP R_swig_OBAtom_GetVector ( SEXP self, SEXP s_swig_copy) { OpenBabel::vector3 *result = 0 ;
15230   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15231   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15232   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15233     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_GetVector" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15234    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (OpenBabel::vector3 *) &(arg1)->GetVector();
15235   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__vector3, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
15236   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_GetPartialCharge(SEXP self,SEXP s_swig_copy)15237 SWIGEXPORT SEXP R_swig_OBAtom_GetPartialCharge ( SEXP self, SEXP s_swig_copy) { double result;
15238   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15239   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15240   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15241     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_GetPartialCharge" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15242    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (double)(arg1)->GetPartialCharge();
15243   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
15244   return r_ans; }
R_swig_OBAtom_GetResidue__SWIG_0(SEXP self)15245 SWIGEXPORT SEXP R_swig_OBAtom_GetResidue__SWIG_0 ( SEXP self) { OpenBabel::OBResidue *result = 0 ;
15246   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15247   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15248   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15249     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_GetResidue" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15250    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (OpenBabel::OBResidue *)(arg1)->GetResidue();
15251   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBResidue, R_SWIG_EXTERNAL |  0 );
15252   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_GetResidue__SWIG_1(SEXP self,SEXP perception)15253 SWIGEXPORT SEXP R_swig_OBAtom_GetResidue__SWIG_1 ( SEXP self, SEXP perception) { OpenBabel::OBResidue *result = 0 ;
15254   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15255   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15256   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15257     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_GetResidue" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15258    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); arg2 = LOGICAL(perception)[0] ? true : false;
15259   result = (OpenBabel::OBResidue *)(arg1)->GetResidue(arg2);
15260   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBResidue, R_SWIG_EXTERNAL |  0 );
15261   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_GetParent(SEXP self)15262 SWIGEXPORT SEXP R_swig_OBAtom_GetParent ( SEXP self) { OpenBabel::OBMol *result = 0 ;
15263   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15264   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15265   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15266     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_GetParent" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15267    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (OpenBabel::OBMol *)(arg1)->GetParent();
15268   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMol, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
15269   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_GetNewBondVector(SEXP self,SEXP v,SEXP length,SEXP s_swig_copy)15270 SWIGEXPORT SEXP R_swig_OBAtom_GetNewBondVector ( SEXP self, SEXP v, SEXP length, SEXP s_swig_copy) { bool result;
15271   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; OpenBabel::vector3 *arg2 = 0 ; double arg3 ; void *argp1 = 0 ;
15272   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
15273   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
15274   if (!SWIG_IsOK(res1)) {
15275     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_GetNewBondVector" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15276    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1);
15277   res2 = SWIG_R_ConvertPtr(v, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
15278     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtom_GetNewBondVector" "', argument " "2"" of type '" "OpenBabel::vector3 &""'");  }
15279    if (!argp2) {
15280     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtom_GetNewBondVector" "', argument " "2"" of type '" "OpenBabel::vector3 &""'"); }
15281    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2); arg3 = static_cast< double >(REAL(length)[0]);
15282   result = (bool)(arg1)->GetNewBondVector(*arg2,arg3); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
15283   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_GetBond(SEXP self,SEXP s_arg2)15284 SWIGEXPORT SEXP R_swig_OBAtom_GetBond ( SEXP self, SEXP s_arg2) { OpenBabel::OBBond *result = 0 ;
15285   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ;
15286   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
15287   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
15288   if (!SWIG_IsOK(res1)) {
15289     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_GetBond" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15290    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1);
15291   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
15292     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtom_GetBond" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
15293    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (OpenBabel::OBBond *)(arg1)->GetBond(arg2);
15294   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
15295   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_GetNextAtom(SEXP self)15296 SWIGEXPORT SEXP R_swig_OBAtom_GetNextAtom ( SEXP self) { OpenBabel::OBAtom *result = 0 ;
15297   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15298   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15299   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15300     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_GetNextAtom" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15301    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (OpenBabel::OBAtom *)(arg1)->GetNextAtom();
15302   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
15303   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_BeginBonds(SEXP self,SEXP s_swig_copy)15304 SWIGEXPORT SEXP R_swig_OBAtom_BeginBonds ( SEXP self, SEXP s_swig_copy) {
15305   SwigValueWrapper< std::vector< OpenBabel::OBBond *,std::allocator< OpenBabel::OBBond * > >::iterator > result;
15306   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15307   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15308   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15309     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_BeginBonds" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15310    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (arg1)->BeginBonds();
15311   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBBondIterator(static_cast< const OpenBabel::OBBondIterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
15312   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_EndBonds(SEXP self,SEXP s_swig_copy)15313 SWIGEXPORT SEXP R_swig_OBAtom_EndBonds ( SEXP self, SEXP s_swig_copy) {
15314   SwigValueWrapper< std::vector< OpenBabel::OBBond *,std::allocator< OpenBabel::OBBond * > >::iterator > result;
15315   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15316   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15317   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15318     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_EndBonds" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15319    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (arg1)->EndBonds();
15320   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBBondIterator(static_cast< const OpenBabel::OBBondIterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
15321   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_BeginBond(SEXP self,SEXP i)15322 SWIGEXPORT SEXP R_swig_OBAtom_BeginBond ( SEXP self, SEXP i) { OpenBabel::OBBond *result = 0 ;
15323   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; OpenBabel::OBBondIterator *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
15324   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15325   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15326     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_BeginBond" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15327    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1);
15328   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator,  0 );
15329   if (!SWIG_IsOK(res2)) {
15330     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtom_BeginBond" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'");  }
15331    if (!argp2) {
15332     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtom_BeginBond" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'"); }
15333    arg2 = reinterpret_cast< OpenBabel::OBBondIterator * >(argp2); result = (OpenBabel::OBBond *)(arg1)->BeginBond(*arg2);
15334   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
15335   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_NextBond(SEXP self,SEXP i)15336 SWIGEXPORT SEXP R_swig_OBAtom_NextBond ( SEXP self, SEXP i) { OpenBabel::OBBond *result = 0 ;
15337   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; OpenBabel::OBBondIterator *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
15338   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15339   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15340     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_NextBond" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15341    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1);
15342   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator,  0 );
15343   if (!SWIG_IsOK(res2)) {
15344     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtom_NextBond" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'");  }
15345    if (!argp2) {
15346     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtom_NextBond" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'"); }
15347    arg2 = reinterpret_cast< OpenBabel::OBBondIterator * >(argp2); result = (OpenBabel::OBBond *)(arg1)->NextBond(*arg2);
15348   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
15349   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_BeginNbrAtom(SEXP self,SEXP i)15350 SWIGEXPORT SEXP R_swig_OBAtom_BeginNbrAtom ( SEXP self, SEXP i) { OpenBabel::OBAtom *result = 0 ;
15351   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; OpenBabel::OBBondIterator *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
15352   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15353   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15354     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_BeginNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15355    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1);
15356   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator,  0 );
15357   if (!SWIG_IsOK(res2)) {
15358     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtom_BeginNbrAtom" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'");  }
15359    if (!argp2) {
15360     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtom_BeginNbrAtom" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'"); }
15361    arg2 = reinterpret_cast< OpenBabel::OBBondIterator * >(argp2); result = (OpenBabel::OBAtom *)(arg1)->BeginNbrAtom(*arg2);
15362   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
15363   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_NextNbrAtom(SEXP self,SEXP i)15364 SWIGEXPORT SEXP R_swig_OBAtom_NextNbrAtom ( SEXP self, SEXP i) { OpenBabel::OBAtom *result = 0 ;
15365   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; OpenBabel::OBBondIterator *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
15366   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15367   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15368     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_NextNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15369    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1);
15370   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator,  0 );
15371   if (!SWIG_IsOK(res2)) {
15372     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtom_NextNbrAtom" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'");  }
15373    if (!argp2) {
15374     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtom_NextNbrAtom" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'"); }
15375    arg2 = reinterpret_cast< OpenBabel::OBBondIterator * >(argp2); result = (OpenBabel::OBAtom *)(arg1)->NextNbrAtom(*arg2);
15376   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
15377   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_GetDistance__SWIG_0(SEXP self,SEXP index,SEXP s_swig_copy)15378 SWIGEXPORT SEXP R_swig_OBAtom_GetDistance__SWIG_0 ( SEXP self, SEXP index, SEXP s_swig_copy) { double result;
15379   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15380   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15381   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15382     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_GetDistance" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15383    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); arg2 = static_cast< int >(INTEGER(index)[0]);
15384   result = (double)(arg1)->GetDistance(arg2); r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax);
15385   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_GetDistance__SWIG_1(SEXP self,SEXP s_arg2,SEXP s_swig_copy)15386 SWIGEXPORT SEXP R_swig_OBAtom_GetDistance__SWIG_1 ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { double result;
15387   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ;
15388   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
15389   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
15390   if (!SWIG_IsOK(res1)) {
15391     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_GetDistance" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15392    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1);
15393   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
15394     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtom_GetDistance" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
15395    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (double)(arg1)->GetDistance(arg2);
15396   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
15397   return r_ans; }
R_swig_OBAtom_GetDistance__SWIG_2(SEXP self,SEXP v,SEXP s_swig_copy)15398 SWIGEXPORT SEXP R_swig_OBAtom_GetDistance__SWIG_2 ( SEXP self, SEXP v, SEXP s_swig_copy) { double result;
15399   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; OpenBabel::vector3 *arg2 = (OpenBabel::vector3 *) 0 ; void *argp1 = 0 ;
15400   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
15401   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
15402   if (!SWIG_IsOK(res1)) {
15403     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_GetDistance" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15404    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1);
15405   res2 = SWIG_R_ConvertPtr(v, &argp2, SWIGTYPE_p_OpenBabel__vector3, 0 |  0 ); if (!SWIG_IsOK(res2)) {
15406     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtom_GetDistance" "', argument " "2"" of type '" "OpenBabel::vector3 *""'");  }
15407    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2); result = (double)(arg1)->GetDistance(arg2);
15408   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
15409   return r_ans; }
R_swig_OBAtom_GetAngle__SWIG_0(SEXP self,SEXP b,SEXP c,SEXP s_swig_copy)15410 SWIGEXPORT SEXP R_swig_OBAtom_GetAngle__SWIG_0 ( SEXP self, SEXP b, SEXP c, SEXP s_swig_copy) { double result;
15411   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; int arg2 ; int arg3 ; void *argp1 = 0 ; int res1 = 0 ;
15412   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15413   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15414     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_GetAngle" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15415    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); arg2 = static_cast< int >(INTEGER(b)[0]);
15416   arg3 = static_cast< int >(INTEGER(c)[0]); result = (double)(arg1)->GetAngle(arg2,arg3);
15417   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
15418   return r_ans; }
R_swig_OBAtom_GetAngle__SWIG_1(SEXP self,SEXP b,SEXP c,SEXP s_swig_copy)15419 SWIGEXPORT SEXP R_swig_OBAtom_GetAngle__SWIG_1 ( SEXP self, SEXP b, SEXP c, SEXP s_swig_copy) { double result;
15420   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
15421   OpenBabel::OBAtom *arg3 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
15422   void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15423   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15424     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_GetAngle" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15425    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1);
15426   res2 = SWIG_R_ConvertPtr(b, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
15427     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtom_GetAngle" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
15428    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2);
15429   res3 = SWIG_R_ConvertPtr(c, &argp3, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res3)) {
15430     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBAtom_GetAngle" "', argument " "3"" of type '" "OpenBabel::OBAtom *""'");  }
15431    arg3 = reinterpret_cast< OpenBabel::OBAtom * >(argp3); result = (double)(arg1)->GetAngle(arg2,arg3);
15432   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
15433   return r_ans; }
R_swig_OBAtom_NewResidue(SEXP self)15434 SWIGEXPORT SEXP R_swig_OBAtom_NewResidue ( SEXP self) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ;
15435   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15436   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15437     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_NewResidue" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15438    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); (arg1)->NewResidue(); r_ans = R_NilValue; vmaxset(r_vmax);
15439   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_AddResidue(SEXP self,SEXP res)15440 SWIGEXPORT SEXP R_swig_OBAtom_AddResidue ( SEXP self, SEXP res) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ;
15441   OpenBabel::OBResidue *arg2 = (OpenBabel::OBResidue *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
15442   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15443   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15444     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_AddResidue" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15445    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1);
15446   res2 = SWIG_R_ConvertPtr(res, &argp2, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 ); if (!SWIG_IsOK(res2)) {
15447     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtom_AddResidue" "', argument " "2"" of type '" "OpenBabel::OBResidue *""'");  }
15448    arg2 = reinterpret_cast< OpenBabel::OBResidue * >(argp2); (arg1)->AddResidue(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
15449   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_DeleteResidue(SEXP self)15450 SWIGEXPORT SEXP R_swig_OBAtom_DeleteResidue ( SEXP self) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ;
15451   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15452   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15453     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_DeleteResidue" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15454    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); (arg1)->DeleteResidue(); r_ans = R_NilValue; vmaxset(r_vmax);
15455   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_AddBond(SEXP self,SEXP bond)15456 SWIGEXPORT SEXP R_swig_OBAtom_AddBond ( SEXP self, SEXP bond) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ;
15457   OpenBabel::OBBond *arg2 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
15458   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15459   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15460     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_AddBond" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15461    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1);
15462   res2 = SWIG_R_ConvertPtr(bond, &argp2, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res2)) {
15463     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtom_AddBond" "', argument " "2"" of type '" "OpenBabel::OBBond *""'");  }
15464    arg2 = reinterpret_cast< OpenBabel::OBBond * >(argp2); (arg1)->AddBond(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
15465   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_InsertBond(SEXP self,SEXP i,SEXP bond)15466 SWIGEXPORT SEXP R_swig_OBAtom_InsertBond ( SEXP self, SEXP i, SEXP bond) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ;
15467   OpenBabel::OBBondIterator *arg2 = 0 ; OpenBabel::OBBond *arg3 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
15468   void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
15469   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
15470   if (!SWIG_IsOK(res1)) {
15471     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_InsertBond" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15472    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1);
15473   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator,  0 );
15474   if (!SWIG_IsOK(res2)) {
15475     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtom_InsertBond" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'");  }
15476    if (!argp2) {
15477     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtom_InsertBond" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'"); }
15478    arg2 = reinterpret_cast< OpenBabel::OBBondIterator * >(argp2);
15479   res3 = SWIG_R_ConvertPtr(bond, &argp3, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res3)) {
15480     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBAtom_InsertBond" "', argument " "3"" of type '" "OpenBabel::OBBond *""'");  }
15481    arg3 = reinterpret_cast< OpenBabel::OBBond * >(argp3); (arg1)->InsertBond(*arg2,arg3); r_ans = R_NilValue; vmaxset(r_vmax);
15482   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_DeleteBond(SEXP self,SEXP bond,SEXP s_swig_copy)15483 SWIGEXPORT SEXP R_swig_OBAtom_DeleteBond ( SEXP self, SEXP bond, SEXP s_swig_copy) { bool result;
15484   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; OpenBabel::OBBond *arg2 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ;
15485   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
15486   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
15487   if (!SWIG_IsOK(res1)) {
15488     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_DeleteBond" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15489    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1);
15490   res2 = SWIG_R_ConvertPtr(bond, &argp2, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res2)) {
15491     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtom_DeleteBond" "', argument " "2"" of type '" "OpenBabel::OBBond *""'");  }
15492    arg2 = reinterpret_cast< OpenBabel::OBBond * >(argp2); result = (bool)(arg1)->DeleteBond(arg2);
15493   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_ClearBond(SEXP self)15494 SWIGEXPORT SEXP R_swig_OBAtom_ClearBond ( SEXP self) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ;
15495   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15496   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15497     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_ClearBond" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15498    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); (arg1)->ClearBond(); r_ans = R_NilValue; vmaxset(r_vmax);
15499   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_HtoMethyl(SEXP self,SEXP s_swig_copy)15500 SWIGEXPORT SEXP R_swig_OBAtom_HtoMethyl ( SEXP self, SEXP s_swig_copy) { bool result;
15501   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15502   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15503   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15504     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_HtoMethyl" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15505    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (bool)(arg1)->HtoMethyl(); r_ans = Rf_ScalarLogical(result);
15506   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_SetHybAndGeom(SEXP self,SEXP s_arg2,SEXP s_swig_copy)15507 SWIGEXPORT SEXP R_swig_OBAtom_SetHybAndGeom ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
15508   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15509   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15510   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15511     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_SetHybAndGeom" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15512    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
15513   result = (bool)(arg1)->SetHybAndGeom(arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
15514   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_ForceNoH(SEXP self)15515 SWIGEXPORT SEXP R_swig_OBAtom_ForceNoH ( SEXP self) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ;
15516   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15517   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15518     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_ForceNoH" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15519    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); (arg1)->ForceNoH(); r_ans = R_NilValue; vmaxset(r_vmax);
15520   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_HasNoHForced(SEXP self,SEXP s_swig_copy)15521 SWIGEXPORT SEXP R_swig_OBAtom_HasNoHForced ( SEXP self, SEXP s_swig_copy) { bool result;
15522   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15523   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15524   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15525     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_HasNoHForced" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15526    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (bool)(arg1)->HasNoHForced();
15527   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_ForceImplH(SEXP self)15528 SWIGEXPORT SEXP R_swig_OBAtom_ForceImplH ( SEXP self) { OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ;
15529   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15530   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15531     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_ForceImplH" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15532    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); (arg1)->ForceImplH(); r_ans = R_NilValue; vmaxset(r_vmax);
15533   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_HasImplHForced(SEXP self,SEXP s_swig_copy)15534 SWIGEXPORT SEXP R_swig_OBAtom_HasImplHForced ( SEXP self, SEXP s_swig_copy) { bool result;
15535   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15536   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15537   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15538     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_HasImplHForced" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15539    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (bool)(arg1)->HasImplHForced();
15540   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_CountFreeOxygens(SEXP self,SEXP s_swig_copy)15541 SWIGEXPORT SEXP R_swig_OBAtom_CountFreeOxygens ( SEXP self, SEXP s_swig_copy) { unsigned int result;
15542   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15543   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15544   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15545     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_CountFreeOxygens" "', argument " "1"" of type '" "OpenBabel::OBAtom const *""'");  }
15546    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1);
15547   result = (unsigned int)((OpenBabel::OBAtom const *)arg1)->CountFreeOxygens();
15548   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_CountFreeSulfurs(SEXP self,SEXP s_swig_copy)15549 SWIGEXPORT SEXP R_swig_OBAtom_CountFreeSulfurs ( SEXP self, SEXP s_swig_copy) { unsigned int result;
15550   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15551   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15552   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15553     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_CountFreeSulfurs" "', argument " "1"" of type '" "OpenBabel::OBAtom const *""'");  }
15554    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1);
15555   result = (unsigned int)((OpenBabel::OBAtom const *)arg1)->CountFreeSulfurs();
15556   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_ImplicitHydrogenCount(SEXP self,SEXP s_swig_copy)15557 SWIGEXPORT SEXP R_swig_OBAtom_ImplicitHydrogenCount ( SEXP self, SEXP s_swig_copy) { unsigned int result;
15558   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15559   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15560   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15561     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_ImplicitHydrogenCount" "', argument " "1"" of type '" "OpenBabel::OBAtom const *""'");  }
15562    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1);
15563   result = (unsigned int)((OpenBabel::OBAtom const *)arg1)->ImplicitHydrogenCount();
15564   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_ExplicitHydrogenCount__SWIG_0(SEXP self,SEXP ExcludeIsotopes,SEXP s_swig_copy)15565 SWIGEXPORT SEXP R_swig_OBAtom_ExplicitHydrogenCount__SWIG_0 ( SEXP self, SEXP ExcludeIsotopes, SEXP s_swig_copy) {
15566   unsigned int result; OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
15567   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15568   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15569     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_ExplicitHydrogenCount" "', argument " "1"" of type '" "OpenBabel::OBAtom const *""'");  }
15570    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); arg2 = LOGICAL(ExcludeIsotopes)[0] ? true : false;
15571   result = (unsigned int)((OpenBabel::OBAtom const *)arg1)->ExplicitHydrogenCount(arg2);
15572   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_ExplicitHydrogenCount__SWIG_1(SEXP self,SEXP s_swig_copy)15573 SWIGEXPORT SEXP R_swig_OBAtom_ExplicitHydrogenCount__SWIG_1 ( SEXP self, SEXP s_swig_copy) { unsigned int result;
15574   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15575   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15576   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15577     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_ExplicitHydrogenCount" "', argument " "1"" of type '" "OpenBabel::OBAtom const *""'");  }
15578    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1);
15579   result = (unsigned int)((OpenBabel::OBAtom const *)arg1)->ExplicitHydrogenCount();
15580   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_MemberOfRingCount(SEXP self,SEXP s_swig_copy)15581 SWIGEXPORT SEXP R_swig_OBAtom_MemberOfRingCount ( SEXP self, SEXP s_swig_copy) { unsigned int result;
15582   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15583   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15584   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15585     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_MemberOfRingCount" "', argument " "1"" of type '" "OpenBabel::OBAtom const *""'");  }
15586    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1);
15587   result = (unsigned int)((OpenBabel::OBAtom const *)arg1)->MemberOfRingCount();
15588   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_MemberOfRingSize(SEXP self,SEXP s_swig_copy)15589 SWIGEXPORT SEXP R_swig_OBAtom_MemberOfRingSize ( SEXP self, SEXP s_swig_copy) { unsigned int result;
15590   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15591   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15592   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15593     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_MemberOfRingSize" "', argument " "1"" of type '" "OpenBabel::OBAtom const *""'");  }
15594    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1);
15595   result = (unsigned int)((OpenBabel::OBAtom const *)arg1)->MemberOfRingSize();
15596   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_CountRingBonds(SEXP self,SEXP s_swig_copy)15597 SWIGEXPORT SEXP R_swig_OBAtom_CountRingBonds ( SEXP self, SEXP s_swig_copy) { unsigned int result;
15598   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15599   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15600   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15601     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_CountRingBonds" "', argument " "1"" of type '" "OpenBabel::OBAtom const *""'");  }
15602    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1);
15603   result = (unsigned int)((OpenBabel::OBAtom const *)arg1)->CountRingBonds(); r_ans = SWIG_From_int(static_cast< int >(result));
15604   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_SmallestBondAngle(SEXP self,SEXP s_swig_copy)15605 SWIGEXPORT SEXP R_swig_OBAtom_SmallestBondAngle ( SEXP self, SEXP s_swig_copy) { double result;
15606   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15607   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15608   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15609     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_SmallestBondAngle" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15610    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (double)(arg1)->SmallestBondAngle();
15611   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
15612   return r_ans; }
R_swig_OBAtom_AverageBondAngle(SEXP self,SEXP s_swig_copy)15613 SWIGEXPORT SEXP R_swig_OBAtom_AverageBondAngle ( SEXP self, SEXP s_swig_copy) { double result;
15614   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15615   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15616   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15617     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_AverageBondAngle" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15618    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (double)(arg1)->AverageBondAngle();
15619   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
15620   return r_ans; }
R_swig_OBAtom_BOSum(SEXP self,SEXP s_swig_copy)15621 SWIGEXPORT SEXP R_swig_OBAtom_BOSum ( SEXP self, SEXP s_swig_copy) { unsigned int result;
15622   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15623   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15624   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15625     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_BOSum" "', argument " "1"" of type '" "OpenBabel::OBAtom const *""'");  }
15626    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (unsigned int)((OpenBabel::OBAtom const *)arg1)->BOSum();
15627   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_KBOSum(SEXP self,SEXP s_swig_copy)15628 SWIGEXPORT SEXP R_swig_OBAtom_KBOSum ( SEXP self, SEXP s_swig_copy) { unsigned int result;
15629   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15630   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15631   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15632     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_KBOSum" "', argument " "1"" of type '" "OpenBabel::OBAtom const *""'");  }
15633    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (unsigned int)((OpenBabel::OBAtom const *)arg1)->KBOSum();
15634   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_LewisAcidBaseCounts(SEXP self,SEXP s_swig_copy)15635 SWIGEXPORT SEXP R_swig_OBAtom_LewisAcidBaseCounts ( SEXP self, SEXP s_swig_copy) {
15636   SwigValueWrapper< std::pair< int,int > > result; OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ;
15637   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15638   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15639     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_LewisAcidBaseCounts" "', argument " "1"" of type '" "OpenBabel::OBAtom const *""'");  }
15640    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = ((OpenBabel::OBAtom const *)arg1)->LewisAcidBaseCounts();
15641   r_ans = SWIG_R_NewPointerObj((new std::pair< int,int >(static_cast< const std::pair< int,int >& >(result))), SWIGTYPE_p_std__pairT_int_int_t, SWIG_POINTER_OWN |  0 );
15642   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_HasResidue(SEXP self,SEXP s_swig_copy)15643 SWIGEXPORT SEXP R_swig_OBAtom_HasResidue ( SEXP self, SEXP s_swig_copy) { bool result;
15644   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15645   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15646   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15647     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_HasResidue" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15648    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (bool)(arg1)->HasResidue(); r_ans = Rf_ScalarLogical(result);
15649   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_IsCarbon(SEXP self,SEXP s_swig_copy)15650 SWIGEXPORT SEXP R_swig_OBAtom_IsCarbon ( SEXP self, SEXP s_swig_copy) { bool result;
15651   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15652   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15653   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15654     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_IsCarbon" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15655    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (bool)(arg1)->IsCarbon(); r_ans = Rf_ScalarLogical(result);
15656   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_IsNitrogen(SEXP self,SEXP s_swig_copy)15657 SWIGEXPORT SEXP R_swig_OBAtom_IsNitrogen ( SEXP self, SEXP s_swig_copy) { bool result;
15658   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15659   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15660   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15661     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_IsNitrogen" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15662    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (bool)(arg1)->IsNitrogen(); r_ans = Rf_ScalarLogical(result);
15663   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_IsOxygen(SEXP self,SEXP s_swig_copy)15664 SWIGEXPORT SEXP R_swig_OBAtom_IsOxygen ( SEXP self, SEXP s_swig_copy) { bool result;
15665   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15666   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15667   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15668     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_IsOxygen" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15669    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (bool)(arg1)->IsOxygen(); r_ans = Rf_ScalarLogical(result);
15670   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_IsSulfur(SEXP self,SEXP s_swig_copy)15671 SWIGEXPORT SEXP R_swig_OBAtom_IsSulfur ( SEXP self, SEXP s_swig_copy) { bool result;
15672   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15673   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15674   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15675     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_IsSulfur" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15676    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (bool)(arg1)->IsSulfur(); r_ans = Rf_ScalarLogical(result);
15677   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_IsPhosphorus(SEXP self,SEXP s_swig_copy)15678 SWIGEXPORT SEXP R_swig_OBAtom_IsPhosphorus ( SEXP self, SEXP s_swig_copy) { bool result;
15679   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15680   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15681   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15682     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_IsPhosphorus" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15683    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (bool)(arg1)->IsPhosphorus();
15684   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_IsAromatic(SEXP self,SEXP s_swig_copy)15685 SWIGEXPORT SEXP R_swig_OBAtom_IsAromatic ( SEXP self, SEXP s_swig_copy) { bool result;
15686   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15687   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15688   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15689     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_IsAromatic" "', argument " "1"" of type '" "OpenBabel::OBAtom const *""'");  }
15690    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (bool)((OpenBabel::OBAtom const *)arg1)->IsAromatic();
15691   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_IsInRing(SEXP self,SEXP s_swig_copy)15692 SWIGEXPORT SEXP R_swig_OBAtom_IsInRing ( SEXP self, SEXP s_swig_copy) { bool result;
15693   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15694   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15695   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15696     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_IsInRing" "', argument " "1"" of type '" "OpenBabel::OBAtom const *""'");  }
15697    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (bool)((OpenBabel::OBAtom const *)arg1)->IsInRing();
15698   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_IsInRingSize(SEXP self,SEXP s_arg2,SEXP s_swig_copy)15699 SWIGEXPORT SEXP R_swig_OBAtom_IsInRingSize ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
15700   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15701   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15702   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15703     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_IsInRingSize" "', argument " "1"" of type '" "OpenBabel::OBAtom const *""'");  }
15704    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
15705   result = (bool)((OpenBabel::OBAtom const *)arg1)->IsInRingSize(arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
15706   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_IsHeteroatom(SEXP self,SEXP s_swig_copy)15707 SWIGEXPORT SEXP R_swig_OBAtom_IsHeteroatom ( SEXP self, SEXP s_swig_copy) { bool result;
15708   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15709   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15710   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15711     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_IsHeteroatom" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15712    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (bool)(arg1)->IsHeteroatom();
15713   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_IsNotCorH(SEXP self,SEXP s_swig_copy)15714 SWIGEXPORT SEXP R_swig_OBAtom_IsNotCorH ( SEXP self, SEXP s_swig_copy) { bool result;
15715   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15716   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15717   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15718     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_IsNotCorH" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15719    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (bool)(arg1)->IsNotCorH(); r_ans = Rf_ScalarLogical(result);
15720   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_IsConnected(SEXP self,SEXP s_arg2,SEXP s_swig_copy)15721 SWIGEXPORT SEXP R_swig_OBAtom_IsConnected ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
15722   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ;
15723   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
15724   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
15725   if (!SWIG_IsOK(res1)) {
15726     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_IsConnected" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15727    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1);
15728   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
15729     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtom_IsConnected" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
15730    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (bool)(arg1)->IsConnected(arg2);
15731   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_IsOneThree(SEXP self,SEXP s_arg2,SEXP s_swig_copy)15732 SWIGEXPORT SEXP R_swig_OBAtom_IsOneThree ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
15733   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ;
15734   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
15735   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
15736   if (!SWIG_IsOK(res1)) {
15737     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_IsOneThree" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15738    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1);
15739   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
15740     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtom_IsOneThree" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
15741    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (bool)(arg1)->IsOneThree(arg2);
15742   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_IsOneFour(SEXP self,SEXP s_arg2,SEXP s_swig_copy)15743 SWIGEXPORT SEXP R_swig_OBAtom_IsOneFour ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
15744   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ;
15745   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
15746   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
15747   if (!SWIG_IsOK(res1)) {
15748     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_IsOneFour" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15749    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1);
15750   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
15751     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtom_IsOneFour" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
15752    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (bool)(arg1)->IsOneFour(arg2);
15753   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_IsCarboxylOxygen(SEXP self,SEXP s_swig_copy)15754 SWIGEXPORT SEXP R_swig_OBAtom_IsCarboxylOxygen ( SEXP self, SEXP s_swig_copy) { bool result;
15755   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15756   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15757   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15758     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_IsCarboxylOxygen" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15759    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (bool)(arg1)->IsCarboxylOxygen();
15760   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_IsThiocarboxylSulfur(SEXP self,SEXP s_swig_copy)15761 SWIGEXPORT SEXP R_swig_OBAtom_IsThiocarboxylSulfur ( SEXP self, SEXP s_swig_copy) { bool result;
15762   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15763   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15764   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15765     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_IsThiocarboxylSulfur" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15766    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (bool)(arg1)->IsThiocarboxylSulfur();
15767   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_IsPhosphateOxygen(SEXP self,SEXP s_swig_copy)15768 SWIGEXPORT SEXP R_swig_OBAtom_IsPhosphateOxygen ( SEXP self, SEXP s_swig_copy) { bool result;
15769   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15770   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15771   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15772     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_IsPhosphateOxygen" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15773    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (bool)(arg1)->IsPhosphateOxygen();
15774   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_IsSulfateOxygen(SEXP self,SEXP s_swig_copy)15775 SWIGEXPORT SEXP R_swig_OBAtom_IsSulfateOxygen ( SEXP self, SEXP s_swig_copy) { bool result;
15776   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15777   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15778   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15779     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_IsSulfateOxygen" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15780    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (bool)(arg1)->IsSulfateOxygen();
15781   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_IsNitroOxygen(SEXP self,SEXP s_swig_copy)15782 SWIGEXPORT SEXP R_swig_OBAtom_IsNitroOxygen ( SEXP self, SEXP s_swig_copy) { bool result;
15783   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15784   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15785   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15786     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_IsNitroOxygen" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15787    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (bool)(arg1)->IsNitroOxygen();
15788   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_IsAmideNitrogen(SEXP self,SEXP s_swig_copy)15789 SWIGEXPORT SEXP R_swig_OBAtom_IsAmideNitrogen ( SEXP self, SEXP s_swig_copy) { bool result;
15790   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15791   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15792   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15793     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_IsAmideNitrogen" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15794    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (bool)(arg1)->IsAmideNitrogen();
15795   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_IsPolarHydrogen(SEXP self,SEXP s_swig_copy)15796 SWIGEXPORT SEXP R_swig_OBAtom_IsPolarHydrogen ( SEXP self, SEXP s_swig_copy) { bool result;
15797   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15798   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15799   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15800     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_IsPolarHydrogen" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15801    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (bool)(arg1)->IsPolarHydrogen();
15802   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_IsNonPolarHydrogen(SEXP self,SEXP s_swig_copy)15803 SWIGEXPORT SEXP R_swig_OBAtom_IsNonPolarHydrogen ( SEXP self, SEXP s_swig_copy) { bool result;
15804   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15805   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15806   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15807     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_IsNonPolarHydrogen" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15808    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (bool)(arg1)->IsNonPolarHydrogen();
15809   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_IsAromaticNOxide(SEXP self,SEXP s_swig_copy)15810 SWIGEXPORT SEXP R_swig_OBAtom_IsAromaticNOxide ( SEXP self, SEXP s_swig_copy) { bool result;
15811   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15812   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15813   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15814     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_IsAromaticNOxide" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15815    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (bool)(arg1)->IsAromaticNOxide();
15816   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_IsChiral(SEXP self,SEXP s_swig_copy)15817 SWIGEXPORT SEXP R_swig_OBAtom_IsChiral ( SEXP self, SEXP s_swig_copy) { bool result;
15818   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15819   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15820   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15821     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_IsChiral" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15822    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (bool)(arg1)->IsChiral(); r_ans = Rf_ScalarLogical(result);
15823   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_IsAxial(SEXP self,SEXP s_swig_copy)15824 SWIGEXPORT SEXP R_swig_OBAtom_IsAxial ( SEXP self, SEXP s_swig_copy) { bool result;
15825   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15826   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15827   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15828     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_IsAxial" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15829    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (bool)(arg1)->IsAxial(); r_ans = Rf_ScalarLogical(result);
15830   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_IsClockwise(SEXP self,SEXP s_swig_copy)15831 SWIGEXPORT SEXP R_swig_OBAtom_IsClockwise ( SEXP self, SEXP s_swig_copy) { bool result;
15832   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15833   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15834   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15835     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_IsClockwise" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15836    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (bool)(arg1)->IsClockwise();
15837   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_IsAntiClockwise(SEXP self,SEXP s_swig_copy)15838 SWIGEXPORT SEXP R_swig_OBAtom_IsAntiClockwise ( SEXP self, SEXP s_swig_copy) { bool result;
15839   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15840   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15841   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15842     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_IsAntiClockwise" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15843    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (bool)(arg1)->IsAntiClockwise();
15844   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_IsPositiveStereo(SEXP self,SEXP s_swig_copy)15845 SWIGEXPORT SEXP R_swig_OBAtom_IsPositiveStereo ( SEXP self, SEXP s_swig_copy) { bool result;
15846   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15847   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15848   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15849     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_IsPositiveStereo" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15850    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (bool)(arg1)->IsPositiveStereo();
15851   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_IsNegativeStereo(SEXP self,SEXP s_swig_copy)15852 SWIGEXPORT SEXP R_swig_OBAtom_IsNegativeStereo ( SEXP self, SEXP s_swig_copy) { bool result;
15853   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15854   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15855   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15856     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_IsNegativeStereo" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15857    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (bool)(arg1)->IsNegativeStereo();
15858   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_HasChiralitySpecified(SEXP self,SEXP s_swig_copy)15859 SWIGEXPORT SEXP R_swig_OBAtom_HasChiralitySpecified ( SEXP self, SEXP s_swig_copy) { bool result;
15860   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15861   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15862   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15863     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_HasChiralitySpecified" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15864    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (bool)(arg1)->HasChiralitySpecified();
15865   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_HasChiralVolume(SEXP self,SEXP s_swig_copy)15866 SWIGEXPORT SEXP R_swig_OBAtom_HasChiralVolume ( SEXP self, SEXP s_swig_copy) { bool result;
15867   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15868   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15869   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15870     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_HasChiralVolume" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15871    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (bool)(arg1)->HasChiralVolume();
15872   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_IsHbondAcceptor(SEXP self,SEXP s_swig_copy)15873 SWIGEXPORT SEXP R_swig_OBAtom_IsHbondAcceptor ( SEXP self, SEXP s_swig_copy) { bool result;
15874   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15875   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15876   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15877     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_IsHbondAcceptor" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15878    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (bool)(arg1)->IsHbondAcceptor();
15879   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_IsHbondDonor(SEXP self,SEXP s_swig_copy)15880 SWIGEXPORT SEXP R_swig_OBAtom_IsHbondDonor ( SEXP self, SEXP s_swig_copy) { bool result;
15881   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15882   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15883   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15884     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_IsHbondDonor" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15885    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (bool)(arg1)->IsHbondDonor();
15886   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_IsHbondDonorH(SEXP self,SEXP s_swig_copy)15887 SWIGEXPORT SEXP R_swig_OBAtom_IsHbondDonorH ( SEXP self, SEXP s_swig_copy) { bool result;
15888   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15889   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15890   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15891     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_IsHbondDonorH" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15892    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (bool)(arg1)->IsHbondDonorH();
15893   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_IsMetal(SEXP self,SEXP s_swig_copy)15894 SWIGEXPORT SEXP R_swig_OBAtom_IsMetal ( SEXP self, SEXP s_swig_copy) { bool result;
15895   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15896   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15897   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15898     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_IsMetal" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15899    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (bool)(arg1)->IsMetal(); r_ans = Rf_ScalarLogical(result);
15900   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_HasAlphaBetaUnsat__SWIG_0(SEXP self,SEXP includePandS,SEXP s_swig_copy)15901 SWIGEXPORT SEXP R_swig_OBAtom_HasAlphaBetaUnsat__SWIG_0 ( SEXP self, SEXP includePandS, SEXP s_swig_copy) { bool result;
15902   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15903   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15904   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15905     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_HasAlphaBetaUnsat" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15906    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); arg2 = LOGICAL(includePandS)[0] ? true : false;
15907   result = (bool)(arg1)->HasAlphaBetaUnsat(arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
15908   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_HasAlphaBetaUnsat__SWIG_1(SEXP self,SEXP s_swig_copy)15909 SWIGEXPORT SEXP R_swig_OBAtom_HasAlphaBetaUnsat__SWIG_1 ( SEXP self, SEXP s_swig_copy) { bool result;
15910   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15911   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15912   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15913     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_HasAlphaBetaUnsat" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15914    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (bool)(arg1)->HasAlphaBetaUnsat();
15915   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_HasBondOfOrder(SEXP self,SEXP bo,SEXP s_swig_copy)15916 SWIGEXPORT SEXP R_swig_OBAtom_HasBondOfOrder ( SEXP self, SEXP bo, SEXP s_swig_copy) { bool result;
15917   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ;
15918   int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15919   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15920     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_HasBondOfOrder" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15921    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); ecode2 = SWIG_AsVal_int(bo, &val2); if (!SWIG_IsOK(ecode2)) {
15922     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBAtom_HasBondOfOrder" "', argument " "2"" of type '" "unsigned int""'"); }
15923     arg2 = static_cast< unsigned int >(val2); result = (bool)(arg1)->HasBondOfOrder(arg2); r_ans = Rf_ScalarLogical(result);
15924   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_CountBondsOfOrder(SEXP self,SEXP bo,SEXP s_swig_copy)15925 SWIGEXPORT SEXP R_swig_OBAtom_CountBondsOfOrder ( SEXP self, SEXP bo, SEXP s_swig_copy) { int result;
15926   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ;
15927   int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15928   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15929     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_CountBondsOfOrder" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15930    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); ecode2 = SWIG_AsVal_int(bo, &val2); if (!SWIG_IsOK(ecode2)) {
15931     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBAtom_CountBondsOfOrder" "', argument " "2"" of type '" "unsigned int""'"); }
15932     arg2 = static_cast< unsigned int >(val2); result = (int)(arg1)->CountBondsOfOrder(arg2); r_ans = Rf_ScalarInteger(result);
15933   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_HasNonSingleBond(SEXP self,SEXP s_swig_copy)15934 SWIGEXPORT SEXP R_swig_OBAtom_HasNonSingleBond ( SEXP self, SEXP s_swig_copy) { bool result;
15935   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15936   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15937   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15938     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_HasNonSingleBond" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15939    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (bool)(arg1)->HasNonSingleBond();
15940   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_HasSingleBond(SEXP self,SEXP s_swig_copy)15941 SWIGEXPORT SEXP R_swig_OBAtom_HasSingleBond ( SEXP self, SEXP s_swig_copy) { bool result;
15942   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15943   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15944   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15945     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_HasSingleBond" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15946    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (bool)(arg1)->HasSingleBond();
15947   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_HasDoubleBond(SEXP self,SEXP s_swig_copy)15948 SWIGEXPORT SEXP R_swig_OBAtom_HasDoubleBond ( SEXP self, SEXP s_swig_copy) { bool result;
15949   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15950   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15951   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15952     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_HasDoubleBond" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15953    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (bool)(arg1)->HasDoubleBond();
15954   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_HasAromaticBond(SEXP self,SEXP s_swig_copy)15955 SWIGEXPORT SEXP R_swig_OBAtom_HasAromaticBond ( SEXP self, SEXP s_swig_copy) { bool result;
15956   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15957   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15958   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15959     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_HasAromaticBond" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15960    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = (bool)(arg1)->HasAromaticBond();
15961   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtom_MatchesSMARTS(SEXP self,SEXP s_arg2,SEXP s_swig_copy)15962 SWIGEXPORT SEXP R_swig_OBAtom_MatchesSMARTS ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
15963   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; char *arg2 = (char *) 0 ; void *argp1 = 0 ; int res1 = 0 ; int res2 ;
15964   char *buf2 = 0 ; int alloc2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15965   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15966     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtom_MatchesSMARTS" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
15967    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); res2 = SWIG_AsCharPtrAndSize(s_arg2, &buf2, NULL, &alloc2);
15968   if (!SWIG_IsOK(res2)) {
15969     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtom_MatchesSMARTS" "', argument " "2"" of type '" "char const *""'"); }
15970    arg2 = reinterpret_cast< char * >(buf2); result = (bool)(arg1)->MatchesSMARTS((char const *)arg2);
15971   r_ans = Rf_ScalarLogical(result); if (alloc2 == SWIG_NEWOBJ) delete[] buf2; vmaxset(r_vmax);
15972   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_Visit_set(SEXP self,SEXP s_Visit)15973 SWIGEXPORT SEXP R_swig_OBBond_Visit_set ( SEXP self, SEXP s_Visit) { OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ;
15974   bool arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
15975   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
15976   if (!SWIG_IsOK(res1)) {
15977     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
15978    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); arg2 = LOGICAL(s_Visit)[0] ? true : false;
15979   if (arg1) (arg1)->Visit = arg2; r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_Visit_get(SEXP self,SEXP s_swig_copy)15980 SWIGEXPORT SEXP R_swig_OBBond_Visit_get ( SEXP self, SEXP s_swig_copy) { bool result;
15981   OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
15982   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15983   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
15984     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
15985    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); result = (bool) ((arg1)->Visit); r_ans = Rf_ScalarLogical(result);
15986   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBBond()15987 SWIGEXPORT SEXP R_swig_new_OBBond ( ) { OpenBabel::OBBond *result = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
15988   VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBBond *)new OpenBabel::OBBond();
15989   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
15990   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBBond(SEXP self)15991 SWIGEXPORT SEXP R_swig_delete_OBBond ( SEXP self) { OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ;
15992   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15993   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
15994     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBBond" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
15995    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
15996   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBBond_SetIdx(SEXP self,SEXP idx)15997 SWIGEXPORT SEXP R_swig_OBBond_SetIdx ( SEXP self, SEXP idx) { OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; int arg2 ;
15998   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
15999   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16000     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_SetIdx" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16001    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); arg2 = static_cast< int >(INTEGER(idx)[0]); (arg1)->SetIdx(arg2);
16002   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_SetId(SEXP self,SEXP id)16003 SWIGEXPORT SEXP R_swig_OBBond_SetId ( SEXP self, SEXP id) { OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ;
16004   unsigned long arg2 ; void *argp1 = 0 ; int res1 = 0 ; long val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0;
16005   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16006   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16007     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_SetId" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16008    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); ecode2 = SWIG_AsVal_long(id, &val2); if (!SWIG_IsOK(ecode2)) {
16009     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBBond_SetId" "', argument " "2"" of type '" "unsigned long""'"); }
16010     arg2 = static_cast< unsigned long >(val2); (arg1)->SetId(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
16011   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_SetBO(SEXP self,SEXP order)16012 SWIGEXPORT SEXP R_swig_OBBond_SetBO ( SEXP self, SEXP order) { OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; int arg2 ;
16013   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16014   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16015     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_SetBO" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16016    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); arg2 = static_cast< int >(INTEGER(order)[0]); (arg1)->SetBO(arg2);
16017   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_SetBondOrder(SEXP self,SEXP order)16018 SWIGEXPORT SEXP R_swig_OBBond_SetBondOrder ( SEXP self, SEXP order) { OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ;
16019   int arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
16020   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
16021   if (!SWIG_IsOK(res1)) {
16022     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_SetBondOrder" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16023    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); arg2 = static_cast< int >(INTEGER(order)[0]);
16024   (arg1)->SetBondOrder(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_SetBegin(SEXP self,SEXP begin)16025 SWIGEXPORT SEXP R_swig_OBBond_SetBegin ( SEXP self, SEXP begin) { OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ;
16026   OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
16027   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16028   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16029     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_SetBegin" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16030    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1);
16031   res2 = SWIG_R_ConvertPtr(begin, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
16032     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBBond_SetBegin" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
16033    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); (arg1)->SetBegin(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
16034   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_SetEnd(SEXP self,SEXP end)16035 SWIGEXPORT SEXP R_swig_OBBond_SetEnd ( SEXP self, SEXP end) { OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ;
16036   OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
16037   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16038   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16039     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_SetEnd" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16040    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1);
16041   res2 = SWIG_R_ConvertPtr(end, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
16042     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBBond_SetEnd" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
16043    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); (arg1)->SetEnd(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
16044   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_SetParent(SEXP self,SEXP ptr)16045 SWIGEXPORT SEXP R_swig_OBBond_SetParent ( SEXP self, SEXP ptr) { OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ;
16046   OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
16047   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16048   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16049     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_SetParent" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16050    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1);
16051   res2 = SWIG_R_ConvertPtr(ptr, &argp2, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res2)) {
16052     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBBond_SetParent" "', argument " "2"" of type '" "OpenBabel::OBMol *""'");  }
16053    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); (arg1)->SetParent(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
16054   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_SetLength__SWIG_0(SEXP self,SEXP fixed,SEXP length)16055 SWIGEXPORT SEXP R_swig_OBBond_SetLength__SWIG_0 ( SEXP self, SEXP fixed, SEXP length) {
16056   OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; double arg3 ;
16057   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
16058   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
16059   if (!SWIG_IsOK(res1)) {
16060     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_SetLength" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16061    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1);
16062   res2 = SWIG_R_ConvertPtr(fixed, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
16063     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBBond_SetLength" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
16064    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); arg3 = static_cast< double >(REAL(length)[0]);
16065   (arg1)->SetLength(arg2,arg3); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_SetLength__SWIG_1(SEXP self,SEXP length)16066 SWIGEXPORT SEXP R_swig_OBBond_SetLength__SWIG_1 ( SEXP self, SEXP length) { OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ;
16067   double arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
16068   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
16069   if (!SWIG_IsOK(res1)) {
16070     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_SetLength" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16071    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); arg2 = static_cast< double >(REAL(length)[0]);
16072   (arg1)->SetLength(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_Set(SEXP self,SEXP index,SEXP begin,SEXP end,SEXP order,SEXP flags)16073 SWIGEXPORT SEXP R_swig_OBBond_Set ( SEXP self, SEXP index, SEXP begin, SEXP end, SEXP order, SEXP flags) {
16074   OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; int arg2 ; OpenBabel::OBAtom *arg3 = (OpenBabel::OBAtom *) 0 ;
16075   OpenBabel::OBAtom *arg4 = (OpenBabel::OBAtom *) 0 ; int arg5 ; int arg6 ; void *argp1 = 0 ; int res1 = 0 ; void *argp3 = 0 ;
16076   int res3 = 0 ; void *argp4 = 0 ; int res4 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
16077   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
16078   if (!SWIG_IsOK(res1)) {
16079     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_Set" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16080    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); arg2 = static_cast< int >(INTEGER(index)[0]);
16081   res3 = SWIG_R_ConvertPtr(begin, &argp3, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res3)) {
16082     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBBond_Set" "', argument " "3"" of type '" "OpenBabel::OBAtom *""'");  }
16083    arg3 = reinterpret_cast< OpenBabel::OBAtom * >(argp3);
16084   res4 = SWIG_R_ConvertPtr(end, &argp4, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res4)) {
16085     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "OBBond_Set" "', argument " "4"" of type '" "OpenBabel::OBAtom *""'");  }
16086    arg4 = reinterpret_cast< OpenBabel::OBAtom * >(argp4); arg5 = static_cast< int >(INTEGER(order)[0]);
16087   arg6 = static_cast< int >(INTEGER(flags)[0]); (arg1)->Set(arg2,arg3,arg4,arg5,arg6); r_ans = R_NilValue; vmaxset(r_vmax);
16088   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_SetKSingle(SEXP self)16089 SWIGEXPORT SEXP R_swig_OBBond_SetKSingle ( SEXP self) { OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ;
16090   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16091   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16092     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_SetKSingle" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16093    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); (arg1)->SetKSingle(); r_ans = R_NilValue; vmaxset(r_vmax);
16094   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_SetKDouble(SEXP self)16095 SWIGEXPORT SEXP R_swig_OBBond_SetKDouble ( SEXP self) { OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ;
16096   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16097   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16098     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_SetKDouble" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16099    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); (arg1)->SetKDouble(); r_ans = R_NilValue; vmaxset(r_vmax);
16100   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_SetKTriple(SEXP self)16101 SWIGEXPORT SEXP R_swig_OBBond_SetKTriple ( SEXP self) { OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ;
16102   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16103   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16104     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_SetKTriple" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16105    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); (arg1)->SetKTriple(); r_ans = R_NilValue; vmaxset(r_vmax);
16106   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_SetAromatic(SEXP self)16107 SWIGEXPORT SEXP R_swig_OBBond_SetAromatic ( SEXP self) { OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ;
16108   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16109   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16110     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_SetAromatic" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16111    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); (arg1)->SetAromatic(); r_ans = R_NilValue; vmaxset(r_vmax);
16112   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_SetWedge(SEXP self)16113 SWIGEXPORT SEXP R_swig_OBBond_SetWedge ( SEXP self) { OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ;
16114   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16115   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16116     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_SetWedge" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16117    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); (arg1)->SetWedge(); r_ans = R_NilValue; vmaxset(r_vmax);
16118   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_SetHash(SEXP self)16119 SWIGEXPORT SEXP R_swig_OBBond_SetHash ( SEXP self) { OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ;
16120   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16121   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16122     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_SetHash" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16123    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); (arg1)->SetHash(); r_ans = R_NilValue; vmaxset(r_vmax);
16124   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_SetWedgeOrHash(SEXP self)16125 SWIGEXPORT SEXP R_swig_OBBond_SetWedgeOrHash ( SEXP self) { OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ;
16126   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16127   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16128     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_SetWedgeOrHash" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16129    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); (arg1)->SetWedgeOrHash(); r_ans = R_NilValue; vmaxset(r_vmax);
16130   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_SetUp(SEXP self)16131 SWIGEXPORT SEXP R_swig_OBBond_SetUp ( SEXP self) { OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ;
16132   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16133   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16134     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_SetUp" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16135    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); (arg1)->SetUp(); r_ans = R_NilValue; vmaxset(r_vmax);
16136   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_SetDown(SEXP self)16137 SWIGEXPORT SEXP R_swig_OBBond_SetDown ( SEXP self) { OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ;
16138   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16139   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16140     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_SetDown" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16141    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); (arg1)->SetDown(); r_ans = R_NilValue; vmaxset(r_vmax);
16142   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_SetInRing__SWIG_0(SEXP self,SEXP set)16143 SWIGEXPORT SEXP R_swig_OBBond_SetInRing__SWIG_0 ( SEXP self, SEXP set) { OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ;
16144   bool arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
16145   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
16146   if (!SWIG_IsOK(res1)) {
16147     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_SetInRing" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16148    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); arg2 = LOGICAL(set)[0] ? true : false; (arg1)->SetInRing(arg2);
16149   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_SetInRing__SWIG_1(SEXP self)16150 SWIGEXPORT SEXP R_swig_OBBond_SetInRing__SWIG_1 ( SEXP self) { OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ;
16151   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16152   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16153     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_SetInRing" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16154    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); (arg1)->SetInRing(); r_ans = R_NilValue; vmaxset(r_vmax);
16155   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_SetClosure(SEXP self)16156 SWIGEXPORT SEXP R_swig_OBBond_SetClosure ( SEXP self) { OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ;
16157   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16158   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16159     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_SetClosure" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16160    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); (arg1)->SetClosure(); r_ans = R_NilValue; vmaxset(r_vmax);
16161   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_UnsetHash(SEXP self)16162 SWIGEXPORT SEXP R_swig_OBBond_UnsetHash ( SEXP self) { OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ;
16163   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16164   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16165     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_UnsetHash" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16166    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); (arg1)->UnsetHash(); r_ans = R_NilValue; vmaxset(r_vmax);
16167   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_UnsetWedge(SEXP self)16168 SWIGEXPORT SEXP R_swig_OBBond_UnsetWedge ( SEXP self) { OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ;
16169   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16170   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16171     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_UnsetWedge" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16172    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); (arg1)->UnsetWedge(); r_ans = R_NilValue; vmaxset(r_vmax);
16173   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_UnsetUp(SEXP self)16174 SWIGEXPORT SEXP R_swig_OBBond_UnsetUp ( SEXP self) { OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ;
16175   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16176   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16177     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_UnsetUp" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16178    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); (arg1)->UnsetUp(); r_ans = R_NilValue; vmaxset(r_vmax);
16179   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_UnsetDown(SEXP self)16180 SWIGEXPORT SEXP R_swig_OBBond_UnsetDown ( SEXP self) { OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ;
16181   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16182   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16183     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_UnsetDown" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16184    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); (arg1)->UnsetDown(); r_ans = R_NilValue; vmaxset(r_vmax);
16185   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_UnsetAromatic(SEXP self)16186 SWIGEXPORT SEXP R_swig_OBBond_UnsetAromatic ( SEXP self) { OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ;
16187   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16188   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16189     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_UnsetAromatic" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16190    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); (arg1)->UnsetAromatic(); r_ans = R_NilValue; vmaxset(r_vmax);
16191   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_UnsetKekule(SEXP self)16192 SWIGEXPORT SEXP R_swig_OBBond_UnsetKekule ( SEXP self) { OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ;
16193   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16194   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16195     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_UnsetKekule" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16196    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); (arg1)->UnsetKekule(); r_ans = R_NilValue; vmaxset(r_vmax);
16197   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_GetIdx(SEXP self,SEXP s_swig_copy)16198 SWIGEXPORT SEXP R_swig_OBBond_GetIdx ( SEXP self, SEXP s_swig_copy) { unsigned int result;
16199   OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16200   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16201   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16202     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_GetIdx" "', argument " "1"" of type '" "OpenBabel::OBBond const *""'");  }
16203    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); result = (unsigned int)((OpenBabel::OBBond const *)arg1)->GetIdx();
16204   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_GetId(SEXP self,SEXP s_swig_copy)16205 SWIGEXPORT SEXP R_swig_OBBond_GetId ( SEXP self, SEXP s_swig_copy) { unsigned long result;
16206   OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16207   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16208   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16209     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_GetId" "', argument " "1"" of type '" "OpenBabel::OBBond const *""'");  }
16210    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); result = (unsigned long)((OpenBabel::OBBond const *)arg1)->GetId();
16211   r_ans = SWIG_From_long(static_cast< long >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_GetBO(SEXP self,SEXP s_swig_copy)16212 SWIGEXPORT SEXP R_swig_OBBond_GetBO ( SEXP self, SEXP s_swig_copy) { unsigned int result;
16213   OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16214   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16215   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16216     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_GetBO" "', argument " "1"" of type '" "OpenBabel::OBBond const *""'");  }
16217    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); result = (unsigned int)((OpenBabel::OBBond const *)arg1)->GetBO();
16218   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_GetBondOrder(SEXP self,SEXP s_swig_copy)16219 SWIGEXPORT SEXP R_swig_OBBond_GetBondOrder ( SEXP self, SEXP s_swig_copy) { unsigned int result;
16220   OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16221   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16222   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16223     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_GetBondOrder" "', argument " "1"" of type '" "OpenBabel::OBBond const *""'");  }
16224    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1);
16225   result = (unsigned int)((OpenBabel::OBBond const *)arg1)->GetBondOrder(); r_ans = SWIG_From_int(static_cast< int >(result));
16226   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_GetFlags(SEXP self,SEXP s_swig_copy)16227 SWIGEXPORT SEXP R_swig_OBBond_GetFlags ( SEXP self, SEXP s_swig_copy) { unsigned int result;
16228   OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16229   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16230   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16231     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_GetFlags" "', argument " "1"" of type '" "OpenBabel::OBBond const *""'");  }
16232    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); result = (unsigned int)((OpenBabel::OBBond const *)arg1)->GetFlags();
16233   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_GetBeginAtomIdx(SEXP self,SEXP s_swig_copy)16234 SWIGEXPORT SEXP R_swig_OBBond_GetBeginAtomIdx ( SEXP self, SEXP s_swig_copy) { unsigned int result;
16235   OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16236   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16237   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16238     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_GetBeginAtomIdx" "', argument " "1"" of type '" "OpenBabel::OBBond const *""'");  }
16239    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1);
16240   result = (unsigned int)((OpenBabel::OBBond const *)arg1)->GetBeginAtomIdx();
16241   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_GetEndAtomIdx(SEXP self,SEXP s_swig_copy)16242 SWIGEXPORT SEXP R_swig_OBBond_GetEndAtomIdx ( SEXP self, SEXP s_swig_copy) { unsigned int result;
16243   OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16244   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16245   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16246     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_GetEndAtomIdx" "', argument " "1"" of type '" "OpenBabel::OBBond const *""'");  }
16247    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1);
16248   result = (unsigned int)((OpenBabel::OBBond const *)arg1)->GetEndAtomIdx(); r_ans = SWIG_From_int(static_cast< int >(result));
16249   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_GetBeginAtom(SEXP self)16250 SWIGEXPORT SEXP R_swig_OBBond_GetBeginAtom ( SEXP self) { OpenBabel::OBAtom *result = 0 ;
16251   OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16252   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16253   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16254     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_GetBeginAtom" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16255    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); result = (OpenBabel::OBAtom *)(arg1)->GetBeginAtom();
16256   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
16257   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_GetEndAtom(SEXP self)16258 SWIGEXPORT SEXP R_swig_OBBond_GetEndAtom ( SEXP self) { OpenBabel::OBAtom *result = 0 ;
16259   OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16260   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16261   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16262     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_GetEndAtom" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16263    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); result = (OpenBabel::OBAtom *)(arg1)->GetEndAtom();
16264   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
16265   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_GetNbrAtom(SEXP self,SEXP ptr)16266 SWIGEXPORT SEXP R_swig_OBBond_GetNbrAtom ( SEXP self, SEXP ptr) { OpenBabel::OBAtom *result = 0 ;
16267   OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ;
16268   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
16269   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
16270   if (!SWIG_IsOK(res1)) {
16271     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_GetNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16272    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1);
16273   res2 = SWIG_R_ConvertPtr(ptr, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
16274     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBBond_GetNbrAtom" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
16275    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (OpenBabel::OBAtom *)(arg1)->GetNbrAtom(arg2);
16276   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
16277   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_GetParent(SEXP self)16278 SWIGEXPORT SEXP R_swig_OBBond_GetParent ( SEXP self) { OpenBabel::OBMol *result = 0 ;
16279   OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16280   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16281   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16282     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_GetParent" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16283    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); result = (OpenBabel::OBMol *)(arg1)->GetParent();
16284   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMol, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
16285   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_GetEquibLength(SEXP self,SEXP s_swig_copy)16286 SWIGEXPORT SEXP R_swig_OBBond_GetEquibLength ( SEXP self, SEXP s_swig_copy) { double result;
16287   OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16288   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16289   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16290     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_GetEquibLength" "', argument " "1"" of type '" "OpenBabel::OBBond const *""'");  }
16291    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); result = (double)((OpenBabel::OBBond const *)arg1)->GetEquibLength();
16292   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
16293   return r_ans; }
R_swig_OBBond_GetLength(SEXP self,SEXP s_swig_copy)16294 SWIGEXPORT SEXP R_swig_OBBond_GetLength ( SEXP self, SEXP s_swig_copy) { double result;
16295   OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16296   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16297   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16298     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_GetLength" "', argument " "1"" of type '" "OpenBabel::OBBond const *""'");  }
16299    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); result = (double)((OpenBabel::OBBond const *)arg1)->GetLength();
16300   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
16301   return r_ans; }
R_swig_OBBond_GetNbrAtomIdx(SEXP self,SEXP ptr,SEXP s_swig_copy)16302 SWIGEXPORT SEXP R_swig_OBBond_GetNbrAtomIdx ( SEXP self, SEXP ptr, SEXP s_swig_copy) { unsigned int result;
16303   OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ;
16304   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
16305   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
16306   if (!SWIG_IsOK(res1)) {
16307     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_GetNbrAtomIdx" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16308    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1);
16309   res2 = SWIG_R_ConvertPtr(ptr, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
16310     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBBond_GetNbrAtomIdx" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
16311    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (unsigned int)(arg1)->GetNbrAtomIdx(arg2);
16312   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_FindSmallestRing(SEXP self)16313 SWIGEXPORT SEXP R_swig_OBBond_FindSmallestRing ( SEXP self) { OpenBabel::OBRing *result = 0 ;
16314   OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16315   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16316   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16317     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_FindSmallestRing" "', argument " "1"" of type '" "OpenBabel::OBBond const *""'");  }
16318    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1);
16319   result = (OpenBabel::OBRing *)((OpenBabel::OBBond const *)arg1)->FindSmallestRing();
16320   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBRing, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
16321   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_IsAromatic(SEXP self,SEXP s_swig_copy)16322 SWIGEXPORT SEXP R_swig_OBBond_IsAromatic ( SEXP self, SEXP s_swig_copy) { bool result;
16323   OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16324   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16325   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16326     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_IsAromatic" "', argument " "1"" of type '" "OpenBabel::OBBond const *""'");  }
16327    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); result = (bool)((OpenBabel::OBBond const *)arg1)->IsAromatic();
16328   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_IsInRing(SEXP self,SEXP s_swig_copy)16329 SWIGEXPORT SEXP R_swig_OBBond_IsInRing ( SEXP self, SEXP s_swig_copy) { bool result;
16330   OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16331   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16332   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16333     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_IsInRing" "', argument " "1"" of type '" "OpenBabel::OBBond const *""'");  }
16334    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); result = (bool)((OpenBabel::OBBond const *)arg1)->IsInRing();
16335   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_IsRotor(SEXP self,SEXP s_swig_copy)16336 SWIGEXPORT SEXP R_swig_OBBond_IsRotor ( SEXP self, SEXP s_swig_copy) { bool result;
16337   OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16338   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16339   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16340     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_IsRotor" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16341    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); result = (bool)(arg1)->IsRotor(); r_ans = Rf_ScalarLogical(result);
16342   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_IsAmide(SEXP self,SEXP s_swig_copy)16343 SWIGEXPORT SEXP R_swig_OBBond_IsAmide ( SEXP self, SEXP s_swig_copy) { bool result;
16344   OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16345   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16346   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16347     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_IsAmide" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16348    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); result = (bool)(arg1)->IsAmide(); r_ans = Rf_ScalarLogical(result);
16349   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_IsPrimaryAmide(SEXP self,SEXP s_swig_copy)16350 SWIGEXPORT SEXP R_swig_OBBond_IsPrimaryAmide ( SEXP self, SEXP s_swig_copy) { bool result;
16351   OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16352   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16353   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16354     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_IsPrimaryAmide" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16355    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); result = (bool)(arg1)->IsPrimaryAmide();
16356   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_IsSecondaryAmide(SEXP self,SEXP s_swig_copy)16357 SWIGEXPORT SEXP R_swig_OBBond_IsSecondaryAmide ( SEXP self, SEXP s_swig_copy) { bool result;
16358   OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16359   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16360   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16361     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_IsSecondaryAmide" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16362    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); result = (bool)(arg1)->IsSecondaryAmide();
16363   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_IsTertiaryAmide(SEXP self,SEXP s_swig_copy)16364 SWIGEXPORT SEXP R_swig_OBBond_IsTertiaryAmide ( SEXP self, SEXP s_swig_copy) { bool result;
16365   OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16366   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16367   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16368     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_IsTertiaryAmide" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16369    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); result = (bool)(arg1)->IsTertiaryAmide();
16370   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_IsAmidine(SEXP self,SEXP s_swig_copy)16371 SWIGEXPORT SEXP R_swig_OBBond_IsAmidine ( SEXP self, SEXP s_swig_copy) { bool result;
16372   OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16373   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16374   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16375     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_IsAmidine" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16376    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); result = (bool)(arg1)->IsAmidine(); r_ans = Rf_ScalarLogical(result);
16377   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_IsEster(SEXP self,SEXP s_swig_copy)16378 SWIGEXPORT SEXP R_swig_OBBond_IsEster ( SEXP self, SEXP s_swig_copy) { bool result;
16379   OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16380   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16381   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16382     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_IsEster" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16383    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); result = (bool)(arg1)->IsEster(); r_ans = Rf_ScalarLogical(result);
16384   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_IsCarbonyl(SEXP self,SEXP s_swig_copy)16385 SWIGEXPORT SEXP R_swig_OBBond_IsCarbonyl ( SEXP self, SEXP s_swig_copy) { bool result;
16386   OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16387   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16388   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16389     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_IsCarbonyl" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16390    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); result = (bool)(arg1)->IsCarbonyl(); r_ans = Rf_ScalarLogical(result);
16391   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_IsImide(SEXP self,SEXP s_swig_copy)16392 SWIGEXPORT SEXP R_swig_OBBond_IsImide ( SEXP self, SEXP s_swig_copy) { bool result;
16393   OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16394   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16395   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16396     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_IsImide" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16397    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); result = (bool)(arg1)->IsImide(); r_ans = Rf_ScalarLogical(result);
16398   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_IsSingle(SEXP self,SEXP s_swig_copy)16399 SWIGEXPORT SEXP R_swig_OBBond_IsSingle ( SEXP self, SEXP s_swig_copy) { bool result;
16400   OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16401   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16402   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16403     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_IsSingle" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16404    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); result = (bool)(arg1)->IsSingle(); r_ans = Rf_ScalarLogical(result);
16405   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_IsDouble(SEXP self,SEXP s_swig_copy)16406 SWIGEXPORT SEXP R_swig_OBBond_IsDouble ( SEXP self, SEXP s_swig_copy) { bool result;
16407   OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16408   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16409   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16410     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_IsDouble" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16411    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); result = (bool)(arg1)->IsDouble(); r_ans = Rf_ScalarLogical(result);
16412   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_IsTriple(SEXP self,SEXP s_swig_copy)16413 SWIGEXPORT SEXP R_swig_OBBond_IsTriple ( SEXP self, SEXP s_swig_copy) { bool result;
16414   OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16415   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16416   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16417     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_IsTriple" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16418    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); result = (bool)(arg1)->IsTriple(); r_ans = Rf_ScalarLogical(result);
16419   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_IsKSingle(SEXP self,SEXP s_swig_copy)16420 SWIGEXPORT SEXP R_swig_OBBond_IsKSingle ( SEXP self, SEXP s_swig_copy) { bool result;
16421   OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16422   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16423   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16424     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_IsKSingle" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16425    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); result = (bool)(arg1)->IsKSingle(); r_ans = Rf_ScalarLogical(result);
16426   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_IsKDouble(SEXP self,SEXP s_swig_copy)16427 SWIGEXPORT SEXP R_swig_OBBond_IsKDouble ( SEXP self, SEXP s_swig_copy) { bool result;
16428   OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16429   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16430   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16431     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_IsKDouble" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16432    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); result = (bool)(arg1)->IsKDouble(); r_ans = Rf_ScalarLogical(result);
16433   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_IsKTriple(SEXP self,SEXP s_swig_copy)16434 SWIGEXPORT SEXP R_swig_OBBond_IsKTriple ( SEXP self, SEXP s_swig_copy) { bool result;
16435   OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16436   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16437   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16438     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_IsKTriple" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16439    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); result = (bool)(arg1)->IsKTriple(); r_ans = Rf_ScalarLogical(result);
16440   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_IsClosure(SEXP self,SEXP s_swig_copy)16441 SWIGEXPORT SEXP R_swig_OBBond_IsClosure ( SEXP self, SEXP s_swig_copy) { bool result;
16442   OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16443   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16444   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16445     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_IsClosure" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16446    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); result = (bool)(arg1)->IsClosure(); r_ans = Rf_ScalarLogical(result);
16447   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_IsUp(SEXP self,SEXP s_swig_copy)16448 SWIGEXPORT SEXP R_swig_OBBond_IsUp ( SEXP self, SEXP s_swig_copy) { bool result;
16449   OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16450   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16451   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16452     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_IsUp" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16453    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); result = (bool)(arg1)->IsUp(); r_ans = Rf_ScalarLogical(result);
16454   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_IsDown(SEXP self,SEXP s_swig_copy)16455 SWIGEXPORT SEXP R_swig_OBBond_IsDown ( SEXP self, SEXP s_swig_copy) { bool result;
16456   OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16457   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16458   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16459     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_IsDown" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16460    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); result = (bool)(arg1)->IsDown(); r_ans = Rf_ScalarLogical(result);
16461   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_IsWedge(SEXP self,SEXP s_swig_copy)16462 SWIGEXPORT SEXP R_swig_OBBond_IsWedge ( SEXP self, SEXP s_swig_copy) { bool result;
16463   OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16464   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16465   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16466     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_IsWedge" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16467    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); result = (bool)(arg1)->IsWedge(); r_ans = Rf_ScalarLogical(result);
16468   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_IsHash(SEXP self,SEXP s_swig_copy)16469 SWIGEXPORT SEXP R_swig_OBBond_IsHash ( SEXP self, SEXP s_swig_copy) { bool result;
16470   OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16471   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16472   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16473     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_IsHash" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16474    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); result = (bool)(arg1)->IsHash(); r_ans = Rf_ScalarLogical(result);
16475   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_IsWedgeOrHash(SEXP self,SEXP s_swig_copy)16476 SWIGEXPORT SEXP R_swig_OBBond_IsWedgeOrHash ( SEXP self, SEXP s_swig_copy) { bool result;
16477   OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16478   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16479   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16480     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_IsWedgeOrHash" "', argument " "1"" of type '" "OpenBabel::OBBond const *""'");  }
16481    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); result = (bool)((OpenBabel::OBBond const *)arg1)->IsWedgeOrHash();
16482   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_IsCisOrTrans(SEXP self,SEXP s_swig_copy)16483 SWIGEXPORT SEXP R_swig_OBBond_IsCisOrTrans ( SEXP self, SEXP s_swig_copy) { bool result;
16484   OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16485   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16486   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16487     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_IsCisOrTrans" "', argument " "1"" of type '" "OpenBabel::OBBond const *""'");  }
16488    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); result = (bool)((OpenBabel::OBBond const *)arg1)->IsCisOrTrans();
16489   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBond_IsDoubleBondGeometry(SEXP self,SEXP s_swig_copy)16490 SWIGEXPORT SEXP R_swig_OBBond_IsDoubleBondGeometry ( SEXP self, SEXP s_swig_copy) { bool result;
16491   OpenBabel::OBBond *arg1 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16492   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16493   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16494     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBond_IsDoubleBondGeometry" "', argument " "1"" of type '" "OpenBabel::OBBond *""'");  }
16495    arg1 = reinterpret_cast< OpenBabel::OBBond * >(argp1); result = (bool)(arg1)->IsDoubleBondGeometry();
16496   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBReaction()16497 SWIGEXPORT SEXP R_swig_new_OBReaction ( ) { OpenBabel::OBReaction *result = 0 ; unsigned int r_nprotect = 0;
16498   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBReaction *)new OpenBabel::OBReaction();
16499   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBReaction, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
16500   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBReaction_NumReactants(SEXP self,SEXP s_swig_copy)16501 SWIGEXPORT SEXP R_swig_OBReaction_NumReactants ( SEXP self, SEXP s_swig_copy) { int result;
16502   OpenBabel::OBReaction *arg1 = (OpenBabel::OBReaction *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16503   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16504   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBReaction, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16505     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBReaction_NumReactants" "', argument " "1"" of type '" "OpenBabel::OBReaction const *""'");  }
16506    arg1 = reinterpret_cast< OpenBabel::OBReaction * >(argp1);
16507   result = (int)((OpenBabel::OBReaction const *)arg1)->NumReactants(); r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax);
16508   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBReaction_NumProducts(SEXP self,SEXP s_swig_copy)16509 SWIGEXPORT SEXP R_swig_OBReaction_NumProducts ( SEXP self, SEXP s_swig_copy) { int result;
16510   OpenBabel::OBReaction *arg1 = (OpenBabel::OBReaction *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16511   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16512   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBReaction, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16513     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBReaction_NumProducts" "', argument " "1"" of type '" "OpenBabel::OBReaction const *""'");  }
16514    arg1 = reinterpret_cast< OpenBabel::OBReaction * >(argp1);
16515   result = (int)((OpenBabel::OBReaction const *)arg1)->NumProducts(); r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax);
16516   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBReaction_AddReactant(SEXP self,SEXP sp)16517 SWIGEXPORT SEXP R_swig_OBReaction_AddReactant ( SEXP self, SEXP sp) {
16518   OpenBabel::OBReaction *arg1 = (OpenBabel::OBReaction *) 0 ; SwigValueWrapper< obsharedptr< OpenBabel::OBMol > > arg2 ;
16519   void *argp1 = 0 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
16520   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBReaction, 0 |  0 );
16521   if (!SWIG_IsOK(res1)) {
16522     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBReaction_AddReactant" "', argument " "1"" of type '" "OpenBabel::OBReaction *""'");  }
16523    arg1 = reinterpret_cast< OpenBabel::OBReaction * >(argp1); {
16524     res2 = SWIG_R_ConvertPtr(sp, &argp2, SWIGTYPE_p_obsharedptrT_OpenBabel__OBMol_t,  0 ); if (!SWIG_IsOK(res2)) {
16525       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBReaction_AddReactant" "', argument " "2"" of type '" "obsharedptr< OpenBabel::OBMol > const""'");  }
16526        if (!argp2) {
16527       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBReaction_AddReactant" "', argument " "2"" of type '" "obsharedptr< OpenBabel::OBMol > const""'"); }
16528      else { arg2 = *(reinterpret_cast< obsharedptr< OpenBabel::OBMol > * >(argp2)); }  }  (arg1)->AddReactant(arg2);
16529   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBReaction_AddProduct(SEXP self,SEXP sp)16530 SWIGEXPORT SEXP R_swig_OBReaction_AddProduct ( SEXP self, SEXP sp) { OpenBabel::OBReaction *arg1 = (OpenBabel::OBReaction *) 0 ;
16531   SwigValueWrapper< obsharedptr< OpenBabel::OBMol > > arg2 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ;
16532   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16533   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBReaction, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16534     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBReaction_AddProduct" "', argument " "1"" of type '" "OpenBabel::OBReaction *""'");  }
16535    arg1 = reinterpret_cast< OpenBabel::OBReaction * >(argp1); {
16536     res2 = SWIG_R_ConvertPtr(sp, &argp2, SWIGTYPE_p_obsharedptrT_OpenBabel__OBMol_t,  0 ); if (!SWIG_IsOK(res2)) {
16537       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBReaction_AddProduct" "', argument " "2"" of type '" "obsharedptr< OpenBabel::OBMol > const""'");  }
16538        if (!argp2) {
16539       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBReaction_AddProduct" "', argument " "2"" of type '" "obsharedptr< OpenBabel::OBMol > const""'"); }
16540      else { arg2 = *(reinterpret_cast< obsharedptr< OpenBabel::OBMol > * >(argp2)); }  }  (arg1)->AddProduct(arg2);
16541   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBReaction_SetTransitionState(SEXP self,SEXP sp)16542 SWIGEXPORT SEXP R_swig_OBReaction_SetTransitionState ( SEXP self, SEXP sp) {
16543   OpenBabel::OBReaction *arg1 = (OpenBabel::OBReaction *) 0 ; SwigValueWrapper< obsharedptr< OpenBabel::OBMol > > arg2 ;
16544   void *argp1 = 0 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
16545   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBReaction, 0 |  0 );
16546   if (!SWIG_IsOK(res1)) {
16547     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBReaction_SetTransitionState" "', argument " "1"" of type '" "OpenBabel::OBReaction *""'");  }
16548    arg1 = reinterpret_cast< OpenBabel::OBReaction * >(argp1); {
16549     res2 = SWIG_R_ConvertPtr(sp, &argp2, SWIGTYPE_p_obsharedptrT_OpenBabel__OBMol_t,  0 ); if (!SWIG_IsOK(res2)) {
16550       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBReaction_SetTransitionState" "', argument " "2"" of type '" "obsharedptr< OpenBabel::OBMol > const""'");  }
16551        if (!argp2) {
16552       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBReaction_SetTransitionState" "', argument " "2"" of type '" "obsharedptr< OpenBabel::OBMol > const""'"); }
16553      else { arg2 = *(reinterpret_cast< obsharedptr< OpenBabel::OBMol > * >(argp2)); }  }  (arg1)->SetTransitionState(arg2);
16554   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBReaction_AddAgent(SEXP self,SEXP sp)16555 SWIGEXPORT SEXP R_swig_OBReaction_AddAgent ( SEXP self, SEXP sp) { OpenBabel::OBReaction *arg1 = (OpenBabel::OBReaction *) 0 ;
16556   SwigValueWrapper< obsharedptr< OpenBabel::OBMol > > arg2 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ;
16557   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16558   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBReaction, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16559     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBReaction_AddAgent" "', argument " "1"" of type '" "OpenBabel::OBReaction *""'");  }
16560    arg1 = reinterpret_cast< OpenBabel::OBReaction * >(argp1); {
16561     res2 = SWIG_R_ConvertPtr(sp, &argp2, SWIGTYPE_p_obsharedptrT_OpenBabel__OBMol_t,  0 ); if (!SWIG_IsOK(res2)) {
16562       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBReaction_AddAgent" "', argument " "2"" of type '" "obsharedptr< OpenBabel::OBMol > const""'");  }
16563        if (!argp2) {
16564       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBReaction_AddAgent" "', argument " "2"" of type '" "obsharedptr< OpenBabel::OBMol > const""'"); }
16565      else { arg2 = *(reinterpret_cast< obsharedptr< OpenBabel::OBMol > * >(argp2)); }  }  (arg1)->AddAgent(arg2);
16566   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBReaction_GetReactant(SEXP self,SEXP i,SEXP s_swig_copy)16567 SWIGEXPORT SEXP R_swig_OBReaction_GetReactant ( SEXP self, SEXP i, SEXP s_swig_copy) {
16568   SwigValueWrapper< obsharedptr< OpenBabel::OBMol > > result; OpenBabel::OBReaction *arg1 = (OpenBabel::OBReaction *) 0 ;
16569   unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0;
16570   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16571   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBReaction, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16572     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBReaction_GetReactant" "', argument " "1"" of type '" "OpenBabel::OBReaction *""'");  }
16573    arg1 = reinterpret_cast< OpenBabel::OBReaction * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2); if (!SWIG_IsOK(ecode2)) {
16574     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBReaction_GetReactant" "', argument " "2"" of type '" "unsigned int""'"); }
16575     arg2 = static_cast< unsigned int >(val2); result = (arg1)->GetReactant(arg2);
16576   r_ans = SWIG_R_NewPointerObj((new obsharedptr< OpenBabel::OBMol >(static_cast< const obsharedptr< OpenBabel::OBMol >& >(result))), SWIGTYPE_p_obsharedptrT_OpenBabel__OBMol_t, SWIG_POINTER_OWN |  0 );
16577   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBReaction_GetProduct(SEXP self,SEXP i,SEXP s_swig_copy)16578 SWIGEXPORT SEXP R_swig_OBReaction_GetProduct ( SEXP self, SEXP i, SEXP s_swig_copy) {
16579   SwigValueWrapper< obsharedptr< OpenBabel::OBMol > > result; OpenBabel::OBReaction *arg1 = (OpenBabel::OBReaction *) 0 ;
16580   unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0;
16581   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16582   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBReaction, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16583     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBReaction_GetProduct" "', argument " "1"" of type '" "OpenBabel::OBReaction *""'");  }
16584    arg1 = reinterpret_cast< OpenBabel::OBReaction * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2); if (!SWIG_IsOK(ecode2)) {
16585     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBReaction_GetProduct" "', argument " "2"" of type '" "unsigned int""'"); }
16586     arg2 = static_cast< unsigned int >(val2); result = (arg1)->GetProduct(arg2);
16587   r_ans = SWIG_R_NewPointerObj((new obsharedptr< OpenBabel::OBMol >(static_cast< const obsharedptr< OpenBabel::OBMol >& >(result))), SWIGTYPE_p_obsharedptrT_OpenBabel__OBMol_t, SWIG_POINTER_OWN |  0 );
16588   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBReaction_GetTransitionState(SEXP self,SEXP s_swig_copy)16589 SWIGEXPORT SEXP R_swig_OBReaction_GetTransitionState ( SEXP self, SEXP s_swig_copy) {
16590   SwigValueWrapper< obsharedptr< OpenBabel::OBMol > > result; OpenBabel::OBReaction *arg1 = (OpenBabel::OBReaction *) 0 ;
16591   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16592   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBReaction, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16593     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBReaction_GetTransitionState" "', argument " "1"" of type '" "OpenBabel::OBReaction const *""'");  }
16594    arg1 = reinterpret_cast< OpenBabel::OBReaction * >(argp1);
16595   result = ((OpenBabel::OBReaction const *)arg1)->GetTransitionState();
16596   r_ans = SWIG_R_NewPointerObj((new obsharedptr< OpenBabel::OBMol >(static_cast< const obsharedptr< OpenBabel::OBMol >& >(result))), SWIGTYPE_p_obsharedptrT_OpenBabel__OBMol_t, SWIG_POINTER_OWN |  0 );
16597   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBReaction_GetAgent(SEXP self,SEXP s_swig_copy)16598 SWIGEXPORT SEXP R_swig_OBReaction_GetAgent ( SEXP self, SEXP s_swig_copy) {
16599   SwigValueWrapper< obsharedptr< OpenBabel::OBMol > > result; OpenBabel::OBReaction *arg1 = (OpenBabel::OBReaction *) 0 ;
16600   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16601   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBReaction, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16602     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBReaction_GetAgent" "', argument " "1"" of type '" "OpenBabel::OBReaction const *""'");  }
16603    arg1 = reinterpret_cast< OpenBabel::OBReaction * >(argp1); result = ((OpenBabel::OBReaction const *)arg1)->GetAgent();
16604   r_ans = SWIG_R_NewPointerObj((new obsharedptr< OpenBabel::OBMol >(static_cast< const obsharedptr< OpenBabel::OBMol >& >(result))), SWIGTYPE_p_obsharedptrT_OpenBabel__OBMol_t, SWIG_POINTER_OWN |  0 );
16605   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBReaction_GetTitle(SEXP self,SEXP s_swig_copy)16606 SWIGEXPORT SEXP R_swig_OBReaction_GetTitle ( SEXP self, SEXP s_swig_copy) { std::string result;
16607   OpenBabel::OBReaction *arg1 = (OpenBabel::OBReaction *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16608   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16609   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBReaction, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16610     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBReaction_GetTitle" "', argument " "1"" of type '" "OpenBabel::OBReaction const *""'");  }
16611    arg1 = reinterpret_cast< OpenBabel::OBReaction * >(argp1); result = ((OpenBabel::OBReaction const *)arg1)->GetTitle();
16612   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
16613   return r_ans; }
R_swig_OBReaction_GetComment(SEXP self,SEXP s_swig_copy)16614 SWIGEXPORT SEXP R_swig_OBReaction_GetComment ( SEXP self, SEXP s_swig_copy) { std::string result;
16615   OpenBabel::OBReaction *arg1 = (OpenBabel::OBReaction *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16616   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16617   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBReaction, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16618     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBReaction_GetComment" "', argument " "1"" of type '" "OpenBabel::OBReaction const *""'");  }
16619    arg1 = reinterpret_cast< OpenBabel::OBReaction * >(argp1); result = ((OpenBabel::OBReaction const *)arg1)->GetComment();
16620   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
16621   return r_ans; }
R_swig_OBReaction_SetTitle(SEXP self,SEXP title)16622 SWIGEXPORT SEXP R_swig_OBReaction_SetTitle ( SEXP self, SEXP title) {
16623   OpenBabel::OBReaction *arg1 = (OpenBabel::OBReaction *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
16624   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16625   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBReaction, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16626     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBReaction_SetTitle" "', argument " "1"" of type '" "OpenBabel::OBReaction *""'");  }
16627    arg1 = reinterpret_cast< OpenBabel::OBReaction * >(argp1); { std::string *ptr = (std::string *)0;
16628     res2 = SWIG_AsPtr_std_string(title, &ptr); if (!SWIG_IsOK(res2)) {
16629       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBReaction_SetTitle" "', argument " "2"" of type '" "std::string const &""'"); }
16630      if (!ptr) {
16631       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBReaction_SetTitle" "', argument " "2"" of type '" "std::string const &""'"); }
16632      arg2 = ptr; }  (arg1)->SetTitle((std::string const &)*arg2); r_ans = R_NilValue; if (SWIG_IsNewObj(res2)) delete arg2;
16633   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBReaction_SetComment(SEXP self,SEXP comment)16634 SWIGEXPORT SEXP R_swig_OBReaction_SetComment ( SEXP self, SEXP comment) {
16635   OpenBabel::OBReaction *arg1 = (OpenBabel::OBReaction *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
16636   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16637   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBReaction, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16638     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBReaction_SetComment" "', argument " "1"" of type '" "OpenBabel::OBReaction *""'");  }
16639    arg1 = reinterpret_cast< OpenBabel::OBReaction * >(argp1); { std::string *ptr = (std::string *)0;
16640     res2 = SWIG_AsPtr_std_string(comment, &ptr); if (!SWIG_IsOK(res2)) {
16641       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBReaction_SetComment" "', argument " "2"" of type '" "std::string const &""'"); }
16642      if (!ptr) {
16643       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBReaction_SetComment" "', argument " "2"" of type '" "std::string const &""'"); }
16644      arg2 = ptr; }  (arg1)->SetComment((std::string const &)*arg2); r_ans = R_NilValue; if (SWIG_IsNewObj(res2)) delete arg2;
16645   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBReaction_IsReversible(SEXP self,SEXP s_swig_copy)16646 SWIGEXPORT SEXP R_swig_OBReaction_IsReversible ( SEXP self, SEXP s_swig_copy) { bool result;
16647   OpenBabel::OBReaction *arg1 = (OpenBabel::OBReaction *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16648   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16649   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBReaction, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16650     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBReaction_IsReversible" "', argument " "1"" of type '" "OpenBabel::OBReaction const *""'");  }
16651    arg1 = reinterpret_cast< OpenBabel::OBReaction * >(argp1);
16652   result = (bool)((OpenBabel::OBReaction const *)arg1)->IsReversible(); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
16653   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBReaction_SetReversible__SWIG_0(SEXP self,SEXP b)16654 SWIGEXPORT SEXP R_swig_OBReaction_SetReversible__SWIG_0 ( SEXP self, SEXP b) {
16655   OpenBabel::OBReaction *arg1 = (OpenBabel::OBReaction *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
16656   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16657   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBReaction, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16658     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBReaction_SetReversible" "', argument " "1"" of type '" "OpenBabel::OBReaction *""'");  }
16659    arg1 = reinterpret_cast< OpenBabel::OBReaction * >(argp1); arg2 = LOGICAL(b)[0] ? true : false; (arg1)->SetReversible(arg2);
16660   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBReaction_SetReversible__SWIG_1(SEXP self)16661 SWIGEXPORT SEXP R_swig_OBReaction_SetReversible__SWIG_1 ( SEXP self) {
16662   OpenBabel::OBReaction *arg1 = (OpenBabel::OBReaction *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16663   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16664   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBReaction, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16665     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBReaction_SetReversible" "', argument " "1"" of type '" "OpenBabel::OBReaction *""'");  }
16666    arg1 = reinterpret_cast< OpenBabel::OBReaction * >(argp1); (arg1)->SetReversible(); r_ans = R_NilValue; vmaxset(r_vmax);
16667   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBReaction_ClassDescription()16668 SWIGEXPORT SEXP R_swig_OBReaction_ClassDescription ( ) { char *result = 0 ; unsigned int r_nprotect = 0;
16669   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (char *)OpenBabel::OBReaction::ClassDescription();
16670   r_ans = SWIG_FromCharPtr((const char *)result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBReaction(SEXP self)16671 SWIGEXPORT SEXP R_swig_delete_OBReaction ( SEXP self) { OpenBabel::OBReaction *arg1 = (OpenBabel::OBReaction *) 0 ;
16672   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16673   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBReaction, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
16674     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBReaction" "', argument " "1"" of type '" "OpenBabel::OBReaction *""'");  }
16675    arg1 = reinterpret_cast< OpenBabel::OBReaction * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
16676   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_new_OBMol__SWIG_0()16677 SWIGEXPORT SEXP R_swig_new_OBMol__SWIG_0 ( ) { OpenBabel::OBMol *result = 0 ; unsigned int r_nprotect = 0;
16678   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBMol *)new OpenBabel::OBMol();
16679   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMol, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
16680   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBMol__SWIG_1(SEXP s_arg1)16681 SWIGEXPORT SEXP R_swig_new_OBMol__SWIG_1 ( SEXP s_arg1) { OpenBabel::OBMol *result = 0 ; OpenBabel::OBMol *arg1 = 0 ;
16682   void *argp1 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16683   res1 = SWIG_R_ConvertPtr(s_arg1, &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res1)) {
16684     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBMol" "', argument " "1"" of type '" "OpenBabel::OBMol const &""'");  }
16685    if (!argp1) {
16686     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBMol" "', argument " "1"" of type '" "OpenBabel::OBMol const &""'"); }
16687    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
16688   result = (OpenBabel::OBMol *)new OpenBabel::OBMol((OpenBabel::OBMol const &)*arg1);
16689   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMol, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
16690   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBMol(SEXP self)16691 SWIGEXPORT SEXP R_swig_delete_OBMol ( SEXP self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ;
16692   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16693   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
16694     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBMol" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
16695    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
16696   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBMol_ReserveAtoms(SEXP self,SEXP natoms)16697 SWIGEXPORT SEXP R_swig_OBMol_ReserveAtoms ( SEXP self, SEXP natoms) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
16698   int arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
16699   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
16700   if (!SWIG_IsOK(res1)) {
16701     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_ReserveAtoms" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
16702    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = static_cast< int >(INTEGER(natoms)[0]);
16703   (arg1)->ReserveAtoms(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_CreateAtom(SEXP self)16704 SWIGEXPORT SEXP R_swig_OBMol_CreateAtom ( SEXP self) { OpenBabel::OBAtom *result = 0 ;
16705   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16706   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16707   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16708     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_CreateAtom" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
16709    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (OpenBabel::OBAtom *)(arg1)->CreateAtom();
16710   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
16711   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_CreateBond(SEXP self)16712 SWIGEXPORT SEXP R_swig_OBMol_CreateBond ( SEXP self) { OpenBabel::OBBond *result = 0 ;
16713   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16714   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16715   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16716     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_CreateBond" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
16717    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (OpenBabel::OBBond *)(arg1)->CreateBond();
16718   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
16719   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_CreateResidue(SEXP self)16720 SWIGEXPORT SEXP R_swig_OBMol_CreateResidue ( SEXP self) { OpenBabel::OBResidue *result = 0 ;
16721   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16722   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16723   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16724     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_CreateResidue" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
16725    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (OpenBabel::OBResidue *)(arg1)->CreateResidue();
16726   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBResidue, R_SWIG_EXTERNAL |  0 );
16727   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_DestroyAtom(SEXP self,SEXP s_arg2)16728 SWIGEXPORT SEXP R_swig_OBMol_DestroyAtom ( SEXP self, SEXP s_arg2) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
16729   OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
16730   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16731   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16732     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_DestroyAtom" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
16733    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
16734   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
16735     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_DestroyAtom" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
16736    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); (arg1)->DestroyAtom(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
16737   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_DestroyBond(SEXP self,SEXP s_arg2)16738 SWIGEXPORT SEXP R_swig_OBMol_DestroyBond ( SEXP self, SEXP s_arg2) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
16739   OpenBabel::OBBond *arg2 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
16740   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16741   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16742     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_DestroyBond" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
16743    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
16744   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res2)) {
16745     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_DestroyBond" "', argument " "2"" of type '" "OpenBabel::OBBond *""'");  }
16746    arg2 = reinterpret_cast< OpenBabel::OBBond * >(argp2); (arg1)->DestroyBond(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
16747   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_DestroyResidue(SEXP self,SEXP s_arg2)16748 SWIGEXPORT SEXP R_swig_OBMol_DestroyResidue ( SEXP self, SEXP s_arg2) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
16749   OpenBabel::OBResidue *arg2 = (OpenBabel::OBResidue *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
16750   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16751   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16752     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_DestroyResidue" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
16753    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
16754   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 ); if (!SWIG_IsOK(res2)) {
16755     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_DestroyResidue" "', argument " "2"" of type '" "OpenBabel::OBResidue *""'");  }
16756    arg2 = reinterpret_cast< OpenBabel::OBResidue * >(argp2); (arg1)->DestroyResidue(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
16757   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_AddAtom__SWIG_0(SEXP self,SEXP atom,SEXP forceNewId,SEXP s_swig_copy)16758 SWIGEXPORT SEXP R_swig_OBMol_AddAtom__SWIG_0 ( SEXP self, SEXP atom, SEXP forceNewId, SEXP s_swig_copy) { bool result;
16759   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; OpenBabel::OBAtom *arg2 = 0 ; bool arg3 ; void *argp1 = 0 ; int res1 = 0 ;
16760   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16761   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16762     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_AddAtom" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
16763    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
16764   res2 = SWIG_R_ConvertPtr(atom, &argp2, SWIGTYPE_p_OpenBabel__OBAtom,  0 ); if (!SWIG_IsOK(res2)) {
16765     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_AddAtom" "', argument " "2"" of type '" "OpenBabel::OBAtom &""'");  }
16766    if (!argp2) {
16767     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_AddAtom" "', argument " "2"" of type '" "OpenBabel::OBAtom &""'"); }
16768    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); arg3 = LOGICAL(forceNewId)[0] ? true : false;
16769   result = (bool)(arg1)->AddAtom(*arg2,arg3); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
16770   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_AddAtom__SWIG_1(SEXP self,SEXP atom,SEXP s_swig_copy)16771 SWIGEXPORT SEXP R_swig_OBMol_AddAtom__SWIG_1 ( SEXP self, SEXP atom, SEXP s_swig_copy) { bool result;
16772   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; OpenBabel::OBAtom *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
16773   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16774   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16775     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_AddAtom" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
16776    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
16777   res2 = SWIG_R_ConvertPtr(atom, &argp2, SWIGTYPE_p_OpenBabel__OBAtom,  0 ); if (!SWIG_IsOK(res2)) {
16778     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_AddAtom" "', argument " "2"" of type '" "OpenBabel::OBAtom &""'");  }
16779    if (!argp2) {
16780     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_AddAtom" "', argument " "2"" of type '" "OpenBabel::OBAtom &""'"); }
16781    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (bool)(arg1)->AddAtom(*arg2);
16782   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_InsertAtom(SEXP self,SEXP s_arg2,SEXP s_swig_copy)16783 SWIGEXPORT SEXP R_swig_OBMol_InsertAtom ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
16784   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; OpenBabel::OBAtom *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
16785   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16786   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16787     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_InsertAtom" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
16788    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
16789   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom,  0 ); if (!SWIG_IsOK(res2)) {
16790     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_InsertAtom" "', argument " "2"" of type '" "OpenBabel::OBAtom &""'");  }
16791    if (!argp2) {
16792     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_InsertAtom" "', argument " "2"" of type '" "OpenBabel::OBAtom &""'"); }
16793    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (bool)(arg1)->InsertAtom(*arg2);
16794   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
16795 SWIGEXPORT SEXP
R_swig_OBMol_AddBond__SWIG_0(SEXP self,SEXP beginIdx,SEXP endIdx,SEXP order,SEXP flags,SEXP insertpos,SEXP s_swig_copy)16796 R_swig_OBMol_AddBond__SWIG_0 ( SEXP self, SEXP beginIdx, SEXP endIdx, SEXP order, SEXP flags, SEXP insertpos, SEXP s_swig_copy)
16797 { bool result; OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; int arg2 ; int arg3 ; int arg4 ; int arg5 ; int arg6 ;
16798   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16799   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16800     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_AddBond" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
16801    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = static_cast< int >(INTEGER(beginIdx)[0]);
16802   arg3 = static_cast< int >(INTEGER(endIdx)[0]); arg4 = static_cast< int >(INTEGER(order)[0]);
16803   arg5 = static_cast< int >(INTEGER(flags)[0]); arg6 = static_cast< int >(INTEGER(insertpos)[0]);
16804   result = (bool)(arg1)->AddBond(arg2,arg3,arg4,arg5,arg6); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
16805   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_AddBond__SWIG_1(SEXP self,SEXP beginIdx,SEXP endIdx,SEXP order,SEXP flags,SEXP s_swig_copy)16806 SWIGEXPORT SEXP R_swig_OBMol_AddBond__SWIG_1 ( SEXP self, SEXP beginIdx, SEXP endIdx, SEXP order, SEXP flags, SEXP s_swig_copy)
16807 { bool result; OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; int arg2 ; int arg3 ; int arg4 ; int arg5 ; void *argp1 = 0 ;
16808   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16809   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16810     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_AddBond" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
16811    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = static_cast< int >(INTEGER(beginIdx)[0]);
16812   arg3 = static_cast< int >(INTEGER(endIdx)[0]); arg4 = static_cast< int >(INTEGER(order)[0]);
16813   arg5 = static_cast< int >(INTEGER(flags)[0]); result = (bool)(arg1)->AddBond(arg2,arg3,arg4,arg5);
16814   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_AddBond__SWIG_2(SEXP self,SEXP beginIdx,SEXP endIdx,SEXP order,SEXP s_swig_copy)16815 SWIGEXPORT SEXP R_swig_OBMol_AddBond__SWIG_2 ( SEXP self, SEXP beginIdx, SEXP endIdx, SEXP order, SEXP s_swig_copy) {
16816   bool result; OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; int arg2 ; int arg3 ; int arg4 ; void *argp1 = 0 ;
16817   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16818   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16819     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_AddBond" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
16820    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = static_cast< int >(INTEGER(beginIdx)[0]);
16821   arg3 = static_cast< int >(INTEGER(endIdx)[0]); arg4 = static_cast< int >(INTEGER(order)[0]);
16822   result = (bool)(arg1)->AddBond(arg2,arg3,arg4); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
16823   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_AddBond__SWIG_3(SEXP self,SEXP s_arg2,SEXP s_swig_copy)16824 SWIGEXPORT SEXP R_swig_OBMol_AddBond__SWIG_3 ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
16825   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; OpenBabel::OBBond *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
16826   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16827   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16828     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_AddBond" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
16829    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
16830   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBBond,  0 ); if (!SWIG_IsOK(res2)) {
16831     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_AddBond" "', argument " "2"" of type '" "OpenBabel::OBBond &""'");  }
16832    if (!argp2) {
16833     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_AddBond" "', argument " "2"" of type '" "OpenBabel::OBBond &""'"); }
16834    arg2 = reinterpret_cast< OpenBabel::OBBond * >(argp2); result = (bool)(arg1)->AddBond(*arg2);
16835   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_AddResidue(SEXP self,SEXP s_arg2,SEXP s_swig_copy)16836 SWIGEXPORT SEXP R_swig_OBMol_AddResidue ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
16837   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; OpenBabel::OBResidue *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
16838   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16839   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16840     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_AddResidue" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
16841    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
16842   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBResidue,  0 ); if (!SWIG_IsOK(res2)) {
16843     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_AddResidue" "', argument " "2"" of type '" "OpenBabel::OBResidue &""'");  }
16844    if (!argp2) {
16845     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_AddResidue" "', argument " "2"" of type '" "OpenBabel::OBResidue &""'"); }
16846    arg2 = reinterpret_cast< OpenBabel::OBResidue * >(argp2); result = (bool)(arg1)->AddResidue(*arg2);
16847   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_NewAtom__SWIG_0(SEXP self)16848 SWIGEXPORT SEXP R_swig_OBMol_NewAtom__SWIG_0 ( SEXP self) { OpenBabel::OBAtom *result = 0 ;
16849   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16850   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16851   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16852     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_NewAtom" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
16853    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (OpenBabel::OBAtom *)(arg1)->NewAtom();
16854   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
16855   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_NewAtom__SWIG_1(SEXP self,SEXP id)16856 SWIGEXPORT SEXP R_swig_OBMol_NewAtom__SWIG_1 ( SEXP self, SEXP id) { OpenBabel::OBAtom *result = 0 ;
16857   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; unsigned long arg2 ; void *argp1 = 0 ; int res1 = 0 ; long val2 ;
16858   int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16859   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16860     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_NewAtom" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
16861    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); ecode2 = SWIG_AsVal_long(id, &val2); if (!SWIG_IsOK(ecode2)) {
16862     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMol_NewAtom" "', argument " "2"" of type '" "unsigned long""'"); }
16863     arg2 = static_cast< unsigned long >(val2); result = (OpenBabel::OBAtom *)(arg1)->NewAtom(arg2);
16864   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
16865   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_NewBond__SWIG_0(SEXP self)16866 SWIGEXPORT SEXP R_swig_OBMol_NewBond__SWIG_0 ( SEXP self) { OpenBabel::OBBond *result = 0 ;
16867   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16868   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16869   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16870     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_NewBond" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
16871    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (OpenBabel::OBBond *)(arg1)->NewBond();
16872   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
16873   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_NewBond__SWIG_1(SEXP self,SEXP id)16874 SWIGEXPORT SEXP R_swig_OBMol_NewBond__SWIG_1 ( SEXP self, SEXP id) { OpenBabel::OBBond *result = 0 ;
16875   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; unsigned long arg2 ; void *argp1 = 0 ; int res1 = 0 ; long val2 ;
16876   int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16877   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16878     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_NewBond" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
16879    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); ecode2 = SWIG_AsVal_long(id, &val2); if (!SWIG_IsOK(ecode2)) {
16880     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMol_NewBond" "', argument " "2"" of type '" "unsigned long""'"); }
16881     arg2 = static_cast< unsigned long >(val2); result = (OpenBabel::OBBond *)(arg1)->NewBond(arg2);
16882   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
16883   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_NewResidue(SEXP self)16884 SWIGEXPORT SEXP R_swig_OBMol_NewResidue ( SEXP self) { OpenBabel::OBResidue *result = 0 ;
16885   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16886   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16887   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16888     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_NewResidue" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
16889    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (OpenBabel::OBResidue *)(arg1)->NewResidue();
16890   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBResidue, R_SWIG_EXTERNAL |  0 );
16891   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_DeleteAtom__SWIG_0(SEXP self,SEXP s_arg2,SEXP destroyAtom,SEXP s_swig_copy)16892 SWIGEXPORT SEXP R_swig_OBMol_DeleteAtom__SWIG_0 ( SEXP self, SEXP s_arg2, SEXP destroyAtom, SEXP s_swig_copy) { bool result;
16893   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; bool arg3 ;
16894   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
16895   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
16896   if (!SWIG_IsOK(res1)) {
16897     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_DeleteAtom" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
16898    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
16899   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
16900     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_DeleteAtom" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
16901    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); arg3 = LOGICAL(destroyAtom)[0] ? true : false;
16902   result = (bool)(arg1)->DeleteAtom(arg2,arg3); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
16903   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_DeleteAtom__SWIG_1(SEXP self,SEXP s_arg2,SEXP s_swig_copy)16904 SWIGEXPORT SEXP R_swig_OBMol_DeleteAtom__SWIG_1 ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
16905   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ;
16906   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
16907   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
16908   if (!SWIG_IsOK(res1)) {
16909     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_DeleteAtom" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
16910    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
16911   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
16912     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_DeleteAtom" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
16913    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (bool)(arg1)->DeleteAtom(arg2);
16914   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_DeleteBond__SWIG_0(SEXP self,SEXP s_arg2,SEXP destroyBond,SEXP s_swig_copy)16915 SWIGEXPORT SEXP R_swig_OBMol_DeleteBond__SWIG_0 ( SEXP self, SEXP s_arg2, SEXP destroyBond, SEXP s_swig_copy) { bool result;
16916   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; OpenBabel::OBBond *arg2 = (OpenBabel::OBBond *) 0 ; bool arg3 ;
16917   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
16918   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
16919   if (!SWIG_IsOK(res1)) {
16920     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_DeleteBond" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
16921    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
16922   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res2)) {
16923     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_DeleteBond" "', argument " "2"" of type '" "OpenBabel::OBBond *""'");  }
16924    arg2 = reinterpret_cast< OpenBabel::OBBond * >(argp2); arg3 = LOGICAL(destroyBond)[0] ? true : false;
16925   result = (bool)(arg1)->DeleteBond(arg2,arg3); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
16926   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_DeleteBond__SWIG_1(SEXP self,SEXP s_arg2,SEXP s_swig_copy)16927 SWIGEXPORT SEXP R_swig_OBMol_DeleteBond__SWIG_1 ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
16928   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; OpenBabel::OBBond *arg2 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ;
16929   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
16930   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
16931   if (!SWIG_IsOK(res1)) {
16932     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_DeleteBond" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
16933    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
16934   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res2)) {
16935     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_DeleteBond" "', argument " "2"" of type '" "OpenBabel::OBBond *""'");  }
16936    arg2 = reinterpret_cast< OpenBabel::OBBond * >(argp2); result = (bool)(arg1)->DeleteBond(arg2);
16937   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_DeleteResidue__SWIG_0(SEXP self,SEXP s_arg2,SEXP destroyResidue,SEXP s_swig_copy)16938 SWIGEXPORT SEXP R_swig_OBMol_DeleteResidue__SWIG_0 ( SEXP self, SEXP s_arg2, SEXP destroyResidue, SEXP s_swig_copy) {
16939   bool result; OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; OpenBabel::OBResidue *arg2 = (OpenBabel::OBResidue *) 0 ;
16940   bool arg3 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0;
16941   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16942   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16943     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_DeleteResidue" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
16944    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
16945   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 ); if (!SWIG_IsOK(res2)) {
16946     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_DeleteResidue" "', argument " "2"" of type '" "OpenBabel::OBResidue *""'");  }
16947    arg2 = reinterpret_cast< OpenBabel::OBResidue * >(argp2); arg3 = LOGICAL(destroyResidue)[0] ? true : false;
16948   result = (bool)(arg1)->DeleteResidue(arg2,arg3); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
16949   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_DeleteResidue__SWIG_1(SEXP self,SEXP s_arg2,SEXP s_swig_copy)16950 SWIGEXPORT SEXP R_swig_OBMol_DeleteResidue__SWIG_1 ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
16951   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; OpenBabel::OBResidue *arg2 = (OpenBabel::OBResidue *) 0 ; void *argp1 = 0 ;
16952   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
16953   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
16954   if (!SWIG_IsOK(res1)) {
16955     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_DeleteResidue" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
16956    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
16957   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 ); if (!SWIG_IsOK(res2)) {
16958     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_DeleteResidue" "', argument " "2"" of type '" "OpenBabel::OBResidue *""'");  }
16959    arg2 = reinterpret_cast< OpenBabel::OBResidue * >(argp2); result = (bool)(arg1)->DeleteResidue(arg2);
16960   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_BeginModify(SEXP self)16961 SWIGEXPORT SEXP R_swig_OBMol_BeginModify ( SEXP self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ;
16962   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16963   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16964     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_BeginModify" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
16965    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); (arg1)->BeginModify(); r_ans = R_NilValue; vmaxset(r_vmax);
16966   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_EndModify__SWIG_0(SEXP self,SEXP nukePerceivedData)16967 SWIGEXPORT SEXP R_swig_OBMol_EndModify__SWIG_0 ( SEXP self, SEXP nukePerceivedData) {
16968   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16969   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16970   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16971     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_EndModify" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
16972    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = LOGICAL(nukePerceivedData)[0] ? true : false;
16973   (arg1)->EndModify(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_EndModify__SWIG_1(SEXP self)16974 SWIGEXPORT SEXP R_swig_OBMol_EndModify__SWIG_1 ( SEXP self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
16975   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16976   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16977     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_EndModify" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
16978    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); (arg1)->EndModify(); r_ans = R_NilValue; vmaxset(r_vmax);
16979   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_GetMod(SEXP self,SEXP s_swig_copy)16980 SWIGEXPORT SEXP R_swig_OBMol_GetMod ( SEXP self, SEXP s_swig_copy) { int result;
16981   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
16982   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16983   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16984     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_GetMod" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
16985    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (int)(arg1)->GetMod(); r_ans = Rf_ScalarInteger(result);
16986   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_IncrementMod(SEXP self)16987 SWIGEXPORT SEXP R_swig_OBMol_IncrementMod ( SEXP self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ;
16988   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16989   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16990     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_IncrementMod" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
16991    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); (arg1)->IncrementMod(); r_ans = R_NilValue; vmaxset(r_vmax);
16992   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_DecrementMod(SEXP self)16993 SWIGEXPORT SEXP R_swig_OBMol_DecrementMod ( SEXP self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ;
16994   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
16995   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
16996     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_DecrementMod" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
16997    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); (arg1)->DecrementMod(); r_ans = R_NilValue; vmaxset(r_vmax);
16998   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_GetFlags(SEXP self,SEXP s_swig_copy)16999 SWIGEXPORT SEXP R_swig_OBMol_GetFlags ( SEXP self, SEXP s_swig_copy) { int result;
17000   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17001   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17002   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17003     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_GetFlags" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17004    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (int)(arg1)->GetFlags(); r_ans = Rf_ScalarInteger(result);
17005   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_GetTitle__SWIG_0(SEXP self,SEXP replaceNewlines)17006 SWIGEXPORT SEXP R_swig_OBMol_GetTitle__SWIG_0 ( SEXP self, SEXP replaceNewlines) { char *result = 0 ;
17007   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17008   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17009   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17010     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_GetTitle" "', argument " "1"" of type '" "OpenBabel::OBMol const *""'");  }
17011    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = LOGICAL(replaceNewlines)[0] ? true : false;
17012   result = (char *)((OpenBabel::OBMol const *)arg1)->GetTitle(arg2); r_ans = SWIG_FromCharPtr((const char *)result);
17013   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_GetTitle__SWIG_1(SEXP self)17014 SWIGEXPORT SEXP R_swig_OBMol_GetTitle__SWIG_1 ( SEXP self) { char *result = 0 ;
17015   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17016   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17017   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17018     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_GetTitle" "', argument " "1"" of type '" "OpenBabel::OBMol const *""'");  }
17019    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (char *)((OpenBabel::OBMol const *)arg1)->GetTitle();
17020   r_ans = SWIG_FromCharPtr((const char *)result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_NumAtoms(SEXP self,SEXP s_swig_copy)17021 SWIGEXPORT SEXP R_swig_OBMol_NumAtoms ( SEXP self, SEXP s_swig_copy) { unsigned int result;
17022   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17023   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17024   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17025     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_NumAtoms" "', argument " "1"" of type '" "OpenBabel::OBMol const *""'");  }
17026    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (unsigned int)((OpenBabel::OBMol const *)arg1)->NumAtoms();
17027   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_NumBonds(SEXP self,SEXP s_swig_copy)17028 SWIGEXPORT SEXP R_swig_OBMol_NumBonds ( SEXP self, SEXP s_swig_copy) { unsigned int result;
17029   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17030   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17031   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17032     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_NumBonds" "', argument " "1"" of type '" "OpenBabel::OBMol const *""'");  }
17033    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (unsigned int)((OpenBabel::OBMol const *)arg1)->NumBonds();
17034   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_NumHvyAtoms(SEXP self,SEXP s_swig_copy)17035 SWIGEXPORT SEXP R_swig_OBMol_NumHvyAtoms ( SEXP self, SEXP s_swig_copy) { unsigned int result;
17036   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17037   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17038   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17039     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_NumHvyAtoms" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17040    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (unsigned int)(arg1)->NumHvyAtoms();
17041   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_NumResidues(SEXP self,SEXP s_swig_copy)17042 SWIGEXPORT SEXP R_swig_OBMol_NumResidues ( SEXP self, SEXP s_swig_copy) { unsigned int result;
17043   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17044   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17045   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17046     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_NumResidues" "', argument " "1"" of type '" "OpenBabel::OBMol const *""'");  }
17047    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (unsigned int)((OpenBabel::OBMol const *)arg1)->NumResidues();
17048   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_NumRotors(SEXP self,SEXP s_swig_copy)17049 SWIGEXPORT SEXP R_swig_OBMol_NumRotors ( SEXP self, SEXP s_swig_copy) { unsigned int result;
17050   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17051   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17052   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17053     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_NumRotors" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17054    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (unsigned int)(arg1)->NumRotors();
17055   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_GetAtom(SEXP self,SEXP idx)17056 SWIGEXPORT SEXP R_swig_OBMol_GetAtom ( SEXP self, SEXP idx) { OpenBabel::OBAtom *result = 0 ;
17057   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17058   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17059   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17060     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_GetAtom" "', argument " "1"" of type '" "OpenBabel::OBMol const *""'");  }
17061    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = static_cast< int >(INTEGER(idx)[0]);
17062   result = (OpenBabel::OBAtom *)((OpenBabel::OBMol const *)arg1)->GetAtom(arg2);
17063   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
17064   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_GetAtomById(SEXP self,SEXP id)17065 SWIGEXPORT SEXP R_swig_OBMol_GetAtomById ( SEXP self, SEXP id) { OpenBabel::OBAtom *result = 0 ;
17066   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; unsigned long arg2 ; void *argp1 = 0 ; int res1 = 0 ; long val2 ;
17067   int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17068   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17069     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_GetAtomById" "', argument " "1"" of type '" "OpenBabel::OBMol const *""'");  }
17070    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); ecode2 = SWIG_AsVal_long(id, &val2); if (!SWIG_IsOK(ecode2)) {
17071     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMol_GetAtomById" "', argument " "2"" of type '" "unsigned long""'"); }
17072     arg2 = static_cast< unsigned long >(val2);
17073   result = (OpenBabel::OBAtom *)((OpenBabel::OBMol const *)arg1)->GetAtomById(arg2);
17074   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
17075   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_GetFirstAtom(SEXP self)17076 SWIGEXPORT SEXP R_swig_OBMol_GetFirstAtom ( SEXP self) { OpenBabel::OBAtom *result = 0 ;
17077   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17078   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17079   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17080     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_GetFirstAtom" "', argument " "1"" of type '" "OpenBabel::OBMol const *""'");  }
17081    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
17082   result = (OpenBabel::OBAtom *)((OpenBabel::OBMol const *)arg1)->GetFirstAtom();
17083   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
17084   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_GetBond__SWIG_0(SEXP self,SEXP idx)17085 SWIGEXPORT SEXP R_swig_OBMol_GetBond__SWIG_0 ( SEXP self, SEXP idx) { OpenBabel::OBBond *result = 0 ;
17086   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17087   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17088   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17089     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_GetBond" "', argument " "1"" of type '" "OpenBabel::OBMol const *""'");  }
17090    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = static_cast< int >(INTEGER(idx)[0]);
17091   result = (OpenBabel::OBBond *)((OpenBabel::OBMol const *)arg1)->GetBond(arg2);
17092   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
17093   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_GetBondById(SEXP self,SEXP id)17094 SWIGEXPORT SEXP R_swig_OBMol_GetBondById ( SEXP self, SEXP id) { OpenBabel::OBBond *result = 0 ;
17095   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; unsigned long arg2 ; void *argp1 = 0 ; int res1 = 0 ; long val2 ;
17096   int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17097   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17098     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_GetBondById" "', argument " "1"" of type '" "OpenBabel::OBMol const *""'");  }
17099    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); ecode2 = SWIG_AsVal_long(id, &val2); if (!SWIG_IsOK(ecode2)) {
17100     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMol_GetBondById" "', argument " "2"" of type '" "unsigned long""'"); }
17101     arg2 = static_cast< unsigned long >(val2);
17102   result = (OpenBabel::OBBond *)((OpenBabel::OBMol const *)arg1)->GetBondById(arg2);
17103   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
17104   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_GetBond__SWIG_1(SEXP self,SEXP a,SEXP b)17105 SWIGEXPORT SEXP R_swig_OBMol_GetBond__SWIG_1 ( SEXP self, SEXP a, SEXP b) { OpenBabel::OBBond *result = 0 ;
17106   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; int arg2 ; int arg3 ; void *argp1 = 0 ; int res1 = 0 ;
17107   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17108   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17109     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_GetBond" "', argument " "1"" of type '" "OpenBabel::OBMol const *""'");  }
17110    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = static_cast< int >(INTEGER(a)[0]);
17111   arg3 = static_cast< int >(INTEGER(b)[0]); result = (OpenBabel::OBBond *)((OpenBabel::OBMol const *)arg1)->GetBond(arg2,arg3);
17112   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
17113   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_GetBond__SWIG_2(SEXP self,SEXP bgn,SEXP end)17114 SWIGEXPORT SEXP R_swig_OBMol_GetBond__SWIG_2 ( SEXP self, SEXP bgn, SEXP end) { OpenBabel::OBBond *result = 0 ;
17115   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
17116   OpenBabel::OBAtom *arg3 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
17117   void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17118   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17119     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_GetBond" "', argument " "1"" of type '" "OpenBabel::OBMol const *""'");  }
17120    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
17121   res2 = SWIG_R_ConvertPtr(bgn, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
17122     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_GetBond" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
17123    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2);
17124   res3 = SWIG_R_ConvertPtr(end, &argp3, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res3)) {
17125     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBMol_GetBond" "', argument " "3"" of type '" "OpenBabel::OBAtom *""'");  }
17126    arg3 = reinterpret_cast< OpenBabel::OBAtom * >(argp3);
17127   result = (OpenBabel::OBBond *)((OpenBabel::OBMol const *)arg1)->GetBond(arg2,arg3);
17128   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
17129   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_GetResidue(SEXP self,SEXP idx)17130 SWIGEXPORT SEXP R_swig_OBMol_GetResidue ( SEXP self, SEXP idx) { OpenBabel::OBResidue *result = 0 ;
17131   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17132   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17133   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17134     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_GetResidue" "', argument " "1"" of type '" "OpenBabel::OBMol const *""'");  }
17135    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = static_cast< int >(INTEGER(idx)[0]);
17136   result = (OpenBabel::OBResidue *)((OpenBabel::OBMol const *)arg1)->GetResidue(arg2);
17137   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBResidue, R_SWIG_EXTERNAL |  0 );
17138   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_GetInternalCoord(SEXP self,SEXP s_swig_copy)17139 SWIGEXPORT SEXP R_swig_OBMol_GetInternalCoord ( SEXP self, SEXP s_swig_copy) {
17140   std::vector< OpenBabel::OBInternalCoord *,std::allocator< OpenBabel::OBInternalCoord * > > result;
17141   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17142   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17143   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17144     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_GetInternalCoord" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17145    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (arg1)->GetInternalCoord();
17146   r_ans = swig::from(static_cast< std::vector<OpenBabel::OBInternalCoord*,std::allocator< OpenBabel::OBInternalCoord * > > >(result));
17147   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
17148 SWIGEXPORT SEXP
R_swig_OBMol_GetTorsion__SWIG_0(SEXP self,SEXP s_arg2,SEXP s_arg3,SEXP s_arg4,SEXP s_arg5,SEXP s_swig_copy)17149 R_swig_OBMol_GetTorsion__SWIG_0 ( SEXP self, SEXP s_arg2, SEXP s_arg3, SEXP s_arg4, SEXP s_arg5, SEXP s_swig_copy) {
17150   double result; OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; int arg2 ; int arg3 ; int arg4 ; int arg5 ; void *argp1 = 0 ;
17151   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17152   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17153     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_GetTorsion" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17154    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
17155   arg3 = static_cast< int >(INTEGER(s_arg3)[0]); arg4 = static_cast< int >(INTEGER(s_arg4)[0]);
17156   arg5 = static_cast< int >(INTEGER(s_arg5)[0]); result = (double)(arg1)->GetTorsion(arg2,arg3,arg4,arg5);
17157   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
17158   return r_ans; }
R_swig_OBMol_GetTorsion__SWIG_1(SEXP self,SEXP a,SEXP b,SEXP c,SEXP d,SEXP s_swig_copy)17159 SWIGEXPORT SEXP R_swig_OBMol_GetTorsion__SWIG_1 ( SEXP self, SEXP a, SEXP b, SEXP c, SEXP d, SEXP s_swig_copy) { double result;
17160   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
17161   OpenBabel::OBAtom *arg3 = (OpenBabel::OBAtom *) 0 ; OpenBabel::OBAtom *arg4 = (OpenBabel::OBAtom *) 0 ;
17162   OpenBabel::OBAtom *arg5 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
17163   void *argp3 = 0 ; int res3 = 0 ; void *argp4 = 0 ; int res4 = 0 ; void *argp5 = 0 ; int res5 = 0 ;
17164   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17165   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17166     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_GetTorsion" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17167    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
17168   res2 = SWIG_R_ConvertPtr(a, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
17169     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_GetTorsion" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
17170    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2);
17171   res3 = SWIG_R_ConvertPtr(b, &argp3, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res3)) {
17172     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBMol_GetTorsion" "', argument " "3"" of type '" "OpenBabel::OBAtom *""'");  }
17173    arg3 = reinterpret_cast< OpenBabel::OBAtom * >(argp3);
17174   res4 = SWIG_R_ConvertPtr(c, &argp4, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res4)) {
17175     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "OBMol_GetTorsion" "', argument " "4"" of type '" "OpenBabel::OBAtom *""'");  }
17176    arg4 = reinterpret_cast< OpenBabel::OBAtom * >(argp4);
17177   res5 = SWIG_R_ConvertPtr(d, &argp5, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res5)) {
17178     SWIG_exception_fail(SWIG_ArgError(res5), "in method '" "OBMol_GetTorsion" "', argument " "5"" of type '" "OpenBabel::OBAtom *""'");  }
17179    arg5 = reinterpret_cast< OpenBabel::OBAtom * >(argp5); result = (double)(arg1)->GetTorsion(arg2,arg3,arg4,arg5);
17180   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
17181   return r_ans; }
R_swig_OBMol_GetAngle(SEXP self,SEXP a,SEXP b,SEXP c,SEXP s_swig_copy)17182 SWIGEXPORT SEXP R_swig_OBMol_GetAngle ( SEXP self, SEXP a, SEXP b, SEXP c, SEXP s_swig_copy) { double result;
17183   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
17184   OpenBabel::OBAtom *arg3 = (OpenBabel::OBAtom *) 0 ; OpenBabel::OBAtom *arg4 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ;
17185   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; void *argp4 = 0 ; int res4 = 0 ;
17186   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17187   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17188     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_GetAngle" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17189    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
17190   res2 = SWIG_R_ConvertPtr(a, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
17191     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_GetAngle" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
17192    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2);
17193   res3 = SWIG_R_ConvertPtr(b, &argp3, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res3)) {
17194     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBMol_GetAngle" "', argument " "3"" of type '" "OpenBabel::OBAtom *""'");  }
17195    arg3 = reinterpret_cast< OpenBabel::OBAtom * >(argp3);
17196   res4 = SWIG_R_ConvertPtr(c, &argp4, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res4)) {
17197     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "OBMol_GetAngle" "', argument " "4"" of type '" "OpenBabel::OBAtom *""'");  }
17198    arg4 = reinterpret_cast< OpenBabel::OBAtom * >(argp4); result = (double)(arg1)->GetAngle(arg2,arg3,arg4);
17199   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
17200   return r_ans; }
R_swig_OBMol_GetFormula(SEXP self,SEXP s_swig_copy)17201 SWIGEXPORT SEXP R_swig_OBMol_GetFormula ( SEXP self, SEXP s_swig_copy) { std::string result;
17202   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17203   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17204   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17205     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_GetFormula" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17206    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (arg1)->GetFormula();
17207   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
17208   return r_ans; }
R_swig_OBMol_GetSpacedFormula__SWIG_0(SEXP self,SEXP ones,SEXP sp,SEXP implicitH,SEXP s_swig_copy)17209 SWIGEXPORT SEXP R_swig_OBMol_GetSpacedFormula__SWIG_0 ( SEXP self, SEXP ones, SEXP sp, SEXP implicitH, SEXP s_swig_copy) {
17210   std::string result; OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; int arg2 ; char *arg3 = (char *) 0 ; bool arg4 ;
17211   void *argp1 = 0 ; int res1 = 0 ; int res3 ; char *buf3 = 0 ; int alloc3 = 0 ; unsigned int r_nprotect = 0;
17212   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17213   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17214     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_GetSpacedFormula" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17215    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = static_cast< int >(INTEGER(ones)[0]);
17216   res3 = SWIG_AsCharPtrAndSize(sp, &buf3, NULL, &alloc3); if (!SWIG_IsOK(res3)) {
17217     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBMol_GetSpacedFormula" "', argument " "3"" of type '" "char const *""'"); }
17218    arg3 = reinterpret_cast< char * >(buf3); arg4 = LOGICAL(implicitH)[0] ? true : false;
17219   result = (arg1)->GetSpacedFormula(arg2,(char const *)arg3,arg4);
17220   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); if (alloc3 == SWIG_NEWOBJ) delete[] buf3; vmaxset(r_vmax);
17221   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_GetSpacedFormula__SWIG_1(SEXP self,SEXP ones,SEXP sp,SEXP s_swig_copy)17222 SWIGEXPORT SEXP R_swig_OBMol_GetSpacedFormula__SWIG_1 ( SEXP self, SEXP ones, SEXP sp, SEXP s_swig_copy) { std::string result;
17223   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; int arg2 ; char *arg3 = (char *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
17224   int res3 ; char *buf3 = 0 ; int alloc3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
17225   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
17226   if (!SWIG_IsOK(res1)) {
17227     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_GetSpacedFormula" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17228    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = static_cast< int >(INTEGER(ones)[0]);
17229   res3 = SWIG_AsCharPtrAndSize(sp, &buf3, NULL, &alloc3); if (!SWIG_IsOK(res3)) {
17230     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBMol_GetSpacedFormula" "', argument " "3"" of type '" "char const *""'"); }
17231    arg3 = reinterpret_cast< char * >(buf3); result = (arg1)->GetSpacedFormula(arg2,(char const *)arg3);
17232   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); if (alloc3 == SWIG_NEWOBJ) delete[] buf3; vmaxset(r_vmax);
17233   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_GetSpacedFormula__SWIG_2(SEXP self,SEXP ones,SEXP s_swig_copy)17234 SWIGEXPORT SEXP R_swig_OBMol_GetSpacedFormula__SWIG_2 ( SEXP self, SEXP ones, SEXP s_swig_copy) { std::string result;
17235   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17236   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17237   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17238     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_GetSpacedFormula" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17239    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = static_cast< int >(INTEGER(ones)[0]);
17240   result = (arg1)->GetSpacedFormula(arg2); r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax);
17241   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_GetSpacedFormula__SWIG_3(SEXP self,SEXP s_swig_copy)17242 SWIGEXPORT SEXP R_swig_OBMol_GetSpacedFormula__SWIG_3 ( SEXP self, SEXP s_swig_copy) { std::string result;
17243   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17244   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17245   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17246     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_GetSpacedFormula" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17247    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (arg1)->GetSpacedFormula();
17248   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
17249   return r_ans; }
R_swig_OBMol_GetEnergy__SWIG_0(SEXP self,SEXP s_swig_copy)17250 SWIGEXPORT SEXP R_swig_OBMol_GetEnergy__SWIG_0 ( SEXP self, SEXP s_swig_copy) { double result;
17251   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17252   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17253   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17254     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_GetEnergy" "', argument " "1"" of type '" "OpenBabel::OBMol const *""'");  }
17255    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (double)((OpenBabel::OBMol const *)arg1)->GetEnergy();
17256   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
17257   return r_ans; }
R_swig_OBMol_GetMolWt__SWIG_0(SEXP self,SEXP implicitH,SEXP s_swig_copy)17258 SWIGEXPORT SEXP R_swig_OBMol_GetMolWt__SWIG_0 ( SEXP self, SEXP implicitH, SEXP s_swig_copy) { double result;
17259   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17260   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17261   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17262     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_GetMolWt" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17263    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = LOGICAL(implicitH)[0] ? true : false;
17264   result = (double)(arg1)->GetMolWt(arg2); r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax);
17265   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_GetMolWt__SWIG_1(SEXP self,SEXP s_swig_copy)17266 SWIGEXPORT SEXP R_swig_OBMol_GetMolWt__SWIG_1 ( SEXP self, SEXP s_swig_copy) { double result;
17267   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17268   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17269   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17270     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_GetMolWt" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17271    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (double)(arg1)->GetMolWt();
17272   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
17273   return r_ans; }
R_swig_OBMol_GetExactMass__SWIG_0(SEXP self,SEXP implicitH,SEXP s_swig_copy)17274 SWIGEXPORT SEXP R_swig_OBMol_GetExactMass__SWIG_0 ( SEXP self, SEXP implicitH, SEXP s_swig_copy) { double result;
17275   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17276   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17277   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17278     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_GetExactMass" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17279    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = LOGICAL(implicitH)[0] ? true : false;
17280   result = (double)(arg1)->GetExactMass(arg2); r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax);
17281   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_GetExactMass__SWIG_1(SEXP self,SEXP s_swig_copy)17282 SWIGEXPORT SEXP R_swig_OBMol_GetExactMass__SWIG_1 ( SEXP self, SEXP s_swig_copy) { double result;
17283   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17284   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17285   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17286     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_GetExactMass" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17287    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (double)(arg1)->GetExactMass();
17288   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
17289   return r_ans; }
R_swig_OBMol_GetTotalCharge(SEXP self,SEXP s_swig_copy)17290 SWIGEXPORT SEXP R_swig_OBMol_GetTotalCharge ( SEXP self, SEXP s_swig_copy) { int result;
17291   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17292   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17293   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17294     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_GetTotalCharge" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17295    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (int)(arg1)->GetTotalCharge();
17296   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_GetTotalSpinMultiplicity(SEXP self,SEXP s_swig_copy)17297 SWIGEXPORT SEXP R_swig_OBMol_GetTotalSpinMultiplicity ( SEXP self, SEXP s_swig_copy) { unsigned int result;
17298   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17299   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17300   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17301     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_GetTotalSpinMultiplicity" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17302    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (unsigned int)(arg1)->GetTotalSpinMultiplicity();
17303   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_GetDimension(SEXP self,SEXP s_swig_copy)17304 SWIGEXPORT SEXP R_swig_OBMol_GetDimension ( SEXP self, SEXP s_swig_copy) { unsigned short result;
17305   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17306   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17307   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17308     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_GetDimension" "', argument " "1"" of type '" "OpenBabel::OBMol const *""'");  }
17309    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
17310   result = (unsigned short)((OpenBabel::OBMol const *)arg1)->GetDimension(); r_ans = SWIG_From_int(static_cast< int >(result));
17311   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_GetCoordinates(SEXP self)17312 SWIGEXPORT SEXP R_swig_OBMol_GetCoordinates ( SEXP self) { double *result = 0 ;
17313   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17314   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17315   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17316     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_GetCoordinates" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17317    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (double *)(arg1)->GetCoordinates();
17318   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_double, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
17319   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_GetSSSR(SEXP self,SEXP s_swig_copy)17320 SWIGEXPORT SEXP R_swig_OBMol_GetSSSR ( SEXP self, SEXP s_swig_copy) {
17321   std::vector< OpenBabel::OBRing *,std::allocator< OpenBabel::OBRing * > > *result = 0 ;
17322   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17323   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17324   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17325     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_GetSSSR" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17326    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
17327   result = (std::vector< OpenBabel::OBRing *,std::allocator< OpenBabel::OBRing * > > *) &(arg1)->GetSSSR();
17328   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBRing_p_std__allocatorT_OpenBabel__OBRing_p_t_t, R_SWIG_EXTERNAL |  0 );
17329   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_GetLSSR(SEXP self,SEXP s_swig_copy)17330 SWIGEXPORT SEXP R_swig_OBMol_GetLSSR ( SEXP self, SEXP s_swig_copy) {
17331   std::vector< OpenBabel::OBRing *,std::allocator< OpenBabel::OBRing * > > *result = 0 ;
17332   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17333   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17334   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17335     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_GetLSSR" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17336    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
17337   result = (std::vector< OpenBabel::OBRing *,std::allocator< OpenBabel::OBRing * > > *) &(arg1)->GetLSSR();
17338   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBRing_p_std__allocatorT_OpenBabel__OBRing_p_t_t, R_SWIG_EXTERNAL |  0 );
17339   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_AutomaticFormalCharge(SEXP self,SEXP s_swig_copy)17340 SWIGEXPORT SEXP R_swig_OBMol_AutomaticFormalCharge ( SEXP self, SEXP s_swig_copy) { bool result;
17341   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17342   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17343   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17344     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_AutomaticFormalCharge" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17345    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (bool)(arg1)->AutomaticFormalCharge();
17346   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_AutomaticPartialCharge(SEXP self,SEXP s_swig_copy)17347 SWIGEXPORT SEXP R_swig_OBMol_AutomaticPartialCharge ( SEXP self, SEXP s_swig_copy) { bool result;
17348   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17349   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17350   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17351     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_AutomaticPartialCharge" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17352    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (bool)(arg1)->AutomaticPartialCharge();
17353   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_SetTitle__SWIG_0(SEXP self,SEXP title)17354 SWIGEXPORT SEXP R_swig_OBMol_SetTitle__SWIG_0 ( SEXP self, SEXP title) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
17355   char *arg2 = (char *) 0 ; void *argp1 = 0 ; int res1 = 0 ; int res2 ; char *buf2 = 0 ; int alloc2 = 0 ;
17356   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17357   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17358     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_SetTitle" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17359    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); res2 = SWIG_AsCharPtrAndSize(title, &buf2, NULL, &alloc2);
17360   if (!SWIG_IsOK(res2)) {
17361     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_SetTitle" "', argument " "2"" of type '" "char const *""'"); }
17362    arg2 = reinterpret_cast< char * >(buf2); (arg1)->SetTitle((char const *)arg2); r_ans = R_NilValue;
17363   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_SetTitle__SWIG_1(SEXP self,SEXP title)17364 SWIGEXPORT SEXP R_swig_OBMol_SetTitle__SWIG_1 ( SEXP self, SEXP title) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
17365   std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0;
17366   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17367   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17368     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_SetTitle" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17369    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); res2 = SWIG_R_ConvertPtr(title, &argp2, SWIGTYPE_p_std__string,  0 );
17370   if (!SWIG_IsOK(res2)) {
17371     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_SetTitle" "', argument " "2"" of type '" "std::string &""'");  }
17372    if (!argp2) {
17373     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_SetTitle" "', argument " "2"" of type '" "std::string &""'"); }
17374    arg2 = reinterpret_cast< std::string * >(argp2); (arg1)->SetTitle(*arg2); r_ans = R_NilValue; vmaxset(r_vmax);
17375   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_SetFormula(SEXP self,SEXP molFormula)17376 SWIGEXPORT SEXP R_swig_OBMol_SetFormula ( SEXP self, SEXP molFormula) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
17377   std::string arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
17378   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
17379   if (!SWIG_IsOK(res1)) {
17380     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_SetFormula" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17381    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); { std::string *ptr = (std::string *)0;
17382     int res = SWIG_AsPtr_std_string(molFormula, &ptr); if (!SWIG_IsOK(res) || !ptr) {
17383       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBMol_SetFormula" "', argument " "2"" of type '" "std::string""'");  }
17384      arg2 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  (arg1)->SetFormula(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
17385   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_SetEnergy(SEXP self,SEXP energy)17386 SWIGEXPORT SEXP R_swig_OBMol_SetEnergy ( SEXP self, SEXP energy) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
17387   double arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
17388   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
17389   if (!SWIG_IsOK(res1)) {
17390     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_SetEnergy" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17391    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = static_cast< double >(REAL(energy)[0]); (arg1)->SetEnergy(arg2);
17392   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_SetDimension(SEXP self,SEXP d)17393 SWIGEXPORT SEXP R_swig_OBMol_SetDimension ( SEXP self, SEXP d) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
17394   unsigned short arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0;
17395   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17396   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17397     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_SetDimension" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17398    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); ecode2 = SWIG_AsVal_int(d, &val2); if (!SWIG_IsOK(ecode2)) {
17399     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMol_SetDimension" "', argument " "2"" of type '" "unsigned short""'"); }
17400     arg2 = static_cast< unsigned short >(val2); (arg1)->SetDimension(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
17401   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_SetTotalCharge(SEXP self,SEXP charge)17402 SWIGEXPORT SEXP R_swig_OBMol_SetTotalCharge ( SEXP self, SEXP charge) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
17403   int arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
17404   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
17405   if (!SWIG_IsOK(res1)) {
17406     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_SetTotalCharge" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17407    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = static_cast< int >(INTEGER(charge)[0]);
17408   (arg1)->SetTotalCharge(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_SetTotalSpinMultiplicity(SEXP self,SEXP spinMultiplicity)17409 SWIGEXPORT SEXP R_swig_OBMol_SetTotalSpinMultiplicity ( SEXP self, SEXP spinMultiplicity) {
17410   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ;
17411   int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17412   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17413     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_SetTotalSpinMultiplicity" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17414    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); ecode2 = SWIG_AsVal_int(spinMultiplicity, &val2);
17415   if (!SWIG_IsOK(ecode2)) {
17416     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMol_SetTotalSpinMultiplicity" "', argument " "2"" of type '" "unsigned int""'"); }
17417     arg2 = static_cast< unsigned int >(val2); (arg1)->SetTotalSpinMultiplicity(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
17418   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_SetInternalCoord(SEXP self,SEXP int_coord)17419 SWIGEXPORT SEXP R_swig_OBMol_SetInternalCoord ( SEXP self, SEXP int_coord) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
17420   std::vector< OpenBabel::OBInternalCoord *,std::allocator< OpenBabel::OBInternalCoord * > > arg2 ; void *argp1 = 0 ;
17421   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17422   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17423     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_SetInternalCoord" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17424    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); {
17425     std::vector<OpenBabel::OBInternalCoord*,std::allocator< OpenBabel::OBInternalCoord * > > *ptr = (std::vector<OpenBabel::OBInternalCoord*,std::allocator< OpenBabel::OBInternalCoord * > > *)0;
17426     int res = swig::asptr(int_coord, &ptr); if (!SWIG_IsOK(res) || !ptr) {
17427       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBMol_SetInternalCoord" "', argument " "2"" of type '" "std::vector< OpenBabel::OBInternalCoord *,std::allocator< OpenBabel::OBInternalCoord * > >""'");  }
17428      arg2 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  (arg1)->SetInternalCoord(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
17429   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_SetAutomaticFormalCharge(SEXP self,SEXP val)17430 SWIGEXPORT SEXP R_swig_OBMol_SetAutomaticFormalCharge ( SEXP self, SEXP val) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
17431   bool arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
17432   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
17433   if (!SWIG_IsOK(res1)) {
17434     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_SetAutomaticFormalCharge" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17435    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = LOGICAL(val)[0] ? true : false;
17436   (arg1)->SetAutomaticFormalCharge(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
17437   return r_ans; }
R_swig_OBMol_SetAutomaticPartialCharge(SEXP self,SEXP val)17438 SWIGEXPORT SEXP R_swig_OBMol_SetAutomaticPartialCharge ( SEXP self, SEXP val) {
17439   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17440   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17441   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17442     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_SetAutomaticPartialCharge" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17443    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = LOGICAL(val)[0] ? true : false;
17444   (arg1)->SetAutomaticPartialCharge(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
17445   return r_ans; }
R_swig_OBMol_SetAromaticPerceived(SEXP self)17446 SWIGEXPORT SEXP R_swig_OBMol_SetAromaticPerceived ( SEXP self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
17447   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17448   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17449     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_SetAromaticPerceived" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17450    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); (arg1)->SetAromaticPerceived(); r_ans = R_NilValue; vmaxset(r_vmax);
17451   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_SetSSSRPerceived(SEXP self)17452 SWIGEXPORT SEXP R_swig_OBMol_SetSSSRPerceived ( SEXP self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ;
17453   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17454   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17455     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_SetSSSRPerceived" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17456    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); (arg1)->SetSSSRPerceived(); r_ans = R_NilValue; vmaxset(r_vmax);
17457   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_SetLSSRPerceived(SEXP self)17458 SWIGEXPORT SEXP R_swig_OBMol_SetLSSRPerceived ( SEXP self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ;
17459   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17460   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17461     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_SetLSSRPerceived" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17462    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); (arg1)->SetLSSRPerceived(); r_ans = R_NilValue; vmaxset(r_vmax);
17463   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_SetRingAtomsAndBondsPerceived(SEXP self)17464 SWIGEXPORT SEXP R_swig_OBMol_SetRingAtomsAndBondsPerceived ( SEXP self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
17465   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17466   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17467     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_SetRingAtomsAndBondsPerceived" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17468    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); (arg1)->SetRingAtomsAndBondsPerceived(); r_ans = R_NilValue;
17469   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_SetAtomTypesPerceived(SEXP self)17470 SWIGEXPORT SEXP R_swig_OBMol_SetAtomTypesPerceived ( SEXP self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
17471   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17472   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17473     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_SetAtomTypesPerceived" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17474    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); (arg1)->SetAtomTypesPerceived(); r_ans = R_NilValue; vmaxset(r_vmax);
17475   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_SetRingTypesPerceived(SEXP self)17476 SWIGEXPORT SEXP R_swig_OBMol_SetRingTypesPerceived ( SEXP self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
17477   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17478   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17479     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_SetRingTypesPerceived" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17480    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); (arg1)->SetRingTypesPerceived(); r_ans = R_NilValue; vmaxset(r_vmax);
17481   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_SetChainsPerceived(SEXP self)17482 SWIGEXPORT SEXP R_swig_OBMol_SetChainsPerceived ( SEXP self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
17483   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17484   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17485     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_SetChainsPerceived" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17486    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); (arg1)->SetChainsPerceived(); r_ans = R_NilValue; vmaxset(r_vmax);
17487   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_SetChiralityPerceived(SEXP self)17488 SWIGEXPORT SEXP R_swig_OBMol_SetChiralityPerceived ( SEXP self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
17489   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17490   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17491     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_SetChiralityPerceived" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17492    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); (arg1)->SetChiralityPerceived(); r_ans = R_NilValue; vmaxset(r_vmax);
17493   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_SetPartialChargesPerceived(SEXP self)17494 SWIGEXPORT SEXP R_swig_OBMol_SetPartialChargesPerceived ( SEXP self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
17495   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17496   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17497     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_SetPartialChargesPerceived" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17498    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); (arg1)->SetPartialChargesPerceived(); r_ans = R_NilValue;
17499   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_SetHybridizationPerceived(SEXP self)17500 SWIGEXPORT SEXP R_swig_OBMol_SetHybridizationPerceived ( SEXP self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
17501   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17502   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17503     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_SetHybridizationPerceived" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17504    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); (arg1)->SetHybridizationPerceived(); r_ans = R_NilValue;
17505   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_SetImplicitValencePerceived(SEXP self)17506 SWIGEXPORT SEXP R_swig_OBMol_SetImplicitValencePerceived ( SEXP self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
17507   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17508   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17509     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_SetImplicitValencePerceived" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17510    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); (arg1)->SetImplicitValencePerceived(); r_ans = R_NilValue;
17511   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_SetKekulePerceived(SEXP self)17512 SWIGEXPORT SEXP R_swig_OBMol_SetKekulePerceived ( SEXP self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
17513   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17514   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17515     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_SetKekulePerceived" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17516    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); (arg1)->SetKekulePerceived(); r_ans = R_NilValue; vmaxset(r_vmax);
17517   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_SetClosureBondsPerceived(SEXP self)17518 SWIGEXPORT SEXP R_swig_OBMol_SetClosureBondsPerceived ( SEXP self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
17519   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17520   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17521     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_SetClosureBondsPerceived" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17522    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); (arg1)->SetClosureBondsPerceived(); r_ans = R_NilValue;
17523   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_SetHydrogensAdded(SEXP self)17524 SWIGEXPORT SEXP R_swig_OBMol_SetHydrogensAdded ( SEXP self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
17525   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17526   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17527     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_SetHydrogensAdded" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17528    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); (arg1)->SetHydrogensAdded(); r_ans = R_NilValue; vmaxset(r_vmax);
17529   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_SetCorrectedForPH(SEXP self)17530 SWIGEXPORT SEXP R_swig_OBMol_SetCorrectedForPH ( SEXP self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
17531   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17532   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17533     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_SetCorrectedForPH" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17534    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); (arg1)->SetCorrectedForPH(); r_ans = R_NilValue; vmaxset(r_vmax);
17535   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_SetAromaticCorrected(SEXP self)17536 SWIGEXPORT SEXP R_swig_OBMol_SetAromaticCorrected ( SEXP self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
17537   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17538   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17539     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_SetAromaticCorrected" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17540    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); (arg1)->SetAromaticCorrected(); r_ans = R_NilValue; vmaxset(r_vmax);
17541   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_SetSpinMultiplicityAssigned(SEXP self)17542 SWIGEXPORT SEXP R_swig_OBMol_SetSpinMultiplicityAssigned ( SEXP self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
17543   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17544   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17545     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_SetSpinMultiplicityAssigned" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17546    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); (arg1)->SetSpinMultiplicityAssigned(); r_ans = R_NilValue;
17547   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_SetFlags(SEXP self,SEXP flags)17548 SWIGEXPORT SEXP R_swig_OBMol_SetFlags ( SEXP self, SEXP flags) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; int arg2 ;
17549   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17550   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17551     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_SetFlags" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17552    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = static_cast< int >(INTEGER(flags)[0]); (arg1)->SetFlags(arg2);
17553   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_UnsetAromaticPerceived(SEXP self)17554 SWIGEXPORT SEXP R_swig_OBMol_UnsetAromaticPerceived ( SEXP self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
17555   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17556   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17557     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_UnsetAromaticPerceived" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17558    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); (arg1)->UnsetAromaticPerceived(); r_ans = R_NilValue; vmaxset(r_vmax);
17559   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_UnsetSSSRPerceived(SEXP self)17560 SWIGEXPORT SEXP R_swig_OBMol_UnsetSSSRPerceived ( SEXP self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
17561   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17562   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17563     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_UnsetSSSRPerceived" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17564    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); (arg1)->UnsetSSSRPerceived(); r_ans = R_NilValue; vmaxset(r_vmax);
17565   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_UnsetLSSRPerceived(SEXP self)17566 SWIGEXPORT SEXP R_swig_OBMol_UnsetLSSRPerceived ( SEXP self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
17567   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17568   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17569     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_UnsetLSSRPerceived" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17570    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); (arg1)->UnsetLSSRPerceived(); r_ans = R_NilValue; vmaxset(r_vmax);
17571   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_UnsetRingTypesPerceived(SEXP self)17572 SWIGEXPORT SEXP R_swig_OBMol_UnsetRingTypesPerceived ( SEXP self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
17573   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17574   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17575     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_UnsetRingTypesPerceived" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17576    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); (arg1)->UnsetRingTypesPerceived(); r_ans = R_NilValue; vmaxset(r_vmax);
17577   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_UnsetPartialChargesPerceived(SEXP self)17578 SWIGEXPORT SEXP R_swig_OBMol_UnsetPartialChargesPerceived ( SEXP self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
17579   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17580   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17581     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_UnsetPartialChargesPerceived" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17582    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); (arg1)->UnsetPartialChargesPerceived(); r_ans = R_NilValue;
17583   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_UnsetImplicitValencePerceived(SEXP self)17584 SWIGEXPORT SEXP R_swig_OBMol_UnsetImplicitValencePerceived ( SEXP self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
17585   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17586   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17587     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_UnsetImplicitValencePerceived" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17588    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); (arg1)->UnsetImplicitValencePerceived(); r_ans = R_NilValue;
17589   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_UnsetHydrogensAdded(SEXP self)17590 SWIGEXPORT SEXP R_swig_OBMol_UnsetHydrogensAdded ( SEXP self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
17591   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17592   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17593     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_UnsetHydrogensAdded" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17594    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); (arg1)->UnsetHydrogensAdded(); r_ans = R_NilValue; vmaxset(r_vmax);
17595   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_UnsetFlag(SEXP self,SEXP flag)17596 SWIGEXPORT SEXP R_swig_OBMol_UnsetFlag ( SEXP self, SEXP flag) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; int arg2 ;
17597   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17598   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17599     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_UnsetFlag" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17600    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = static_cast< int >(INTEGER(flag)[0]); (arg1)->UnsetFlag(arg2);
17601   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_ClassDescription()17602 SWIGEXPORT SEXP R_swig_OBMol_ClassDescription ( ) { char *result = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
17603   VMAXTYPE r_vmax = vmaxget() ; result = (char *)OpenBabel::OBMol::ClassDescription();
17604   r_ans = SWIG_FromCharPtr((const char *)result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_RenumberAtoms__SWIG_0(SEXP self,SEXP s_arg2)17605 SWIGEXPORT SEXP R_swig_OBMol_RenumberAtoms__SWIG_0 ( SEXP self, SEXP s_arg2) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
17606   std::vector< OpenBabel::OBAtom *,std::allocator< OpenBabel::OBAtom * > > *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
17607   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17608   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17609     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_RenumberAtoms" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17610    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
17611   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBAtom_p_std__allocatorT_OpenBabel__OBAtom_p_t_t,  0 );
17612   if (!SWIG_IsOK(res2)) {
17613     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_RenumberAtoms" "', argument " "2"" of type '" "std::vector< OpenBabel::OBAtom *,std::allocator< OpenBabel::OBAtom * > > &""'");  }
17614    if (!argp2) {
17615     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_RenumberAtoms" "', argument " "2"" of type '" "std::vector< OpenBabel::OBAtom *,std::allocator< OpenBabel::OBAtom * > > &""'"); }
17616    arg2 = reinterpret_cast< std::vector< OpenBabel::OBAtom *,std::allocator< OpenBabel::OBAtom * > > * >(argp2);
17617   (arg1)->RenumberAtoms(*arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_RenumberAtoms__SWIG_1(SEXP self,SEXP s_arg2)17618 SWIGEXPORT SEXP R_swig_OBMol_RenumberAtoms__SWIG_1 ( SEXP self, SEXP s_arg2) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
17619   std::vector< int,std::allocator< int > > arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17620   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17621   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17622     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_RenumberAtoms" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17623    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); {
17624     std::vector<int,std::allocator< int > > *ptr = (std::vector<int,std::allocator< int > > *)0;
17625     int res = swig::asptr(s_arg2, &ptr); if (!SWIG_IsOK(res) || !ptr) {
17626       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBMol_RenumberAtoms" "', argument " "2"" of type '" "std::vector< int,std::allocator< int > >""'");  }
17627      arg2 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  (arg1)->RenumberAtoms(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
17628   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_SetCoordinates(SEXP self,SEXP c)17629 SWIGEXPORT SEXP R_swig_OBMol_SetCoordinates ( SEXP self, SEXP c) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
17630   double *arg2 = (double *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
17631   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
17632   if (!SWIG_IsOK(res1)) {
17633     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_SetCoordinates" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17634    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); { { int _rswigi; int _rswiglen = LENGTH(c);
17635       arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
17636         arg2[_rswigi] = REAL(c)[_rswigi]; }  }  }  (arg1)->SetCoordinates(arg2); r_ans = R_NilValue; free(arg2);
17637   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_ToInertialFrame__SWIG_0(SEXP self,SEXP conf,SEXP rmat)17638 SWIGEXPORT SEXP R_swig_OBMol_ToInertialFrame__SWIG_0 ( SEXP self, SEXP conf, SEXP rmat) {
17639   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; int arg2 ; double *arg3 = (double *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
17640   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17641   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17642     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_ToInertialFrame" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17643    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = static_cast< int >(INTEGER(conf)[0]); { { int _rswigi;
17644       int _rswiglen = LENGTH(rmat); arg3 = static_cast< double * >(calloc(sizeof(double), _rswiglen));
17645       for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg3[_rswigi] = REAL(rmat)[_rswigi]; }  }  }
17646   (arg1)->ToInertialFrame(arg2,arg3); r_ans = R_NilValue; free(arg3); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
17647   return r_ans; }
R_swig_OBMol_ToInertialFrame__SWIG_1(SEXP self)17648 SWIGEXPORT SEXP R_swig_OBMol_ToInertialFrame__SWIG_1 ( SEXP self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
17649   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17650   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17651     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_ToInertialFrame" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17652    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); (arg1)->ToInertialFrame(); r_ans = R_NilValue; vmaxset(r_vmax);
17653   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_Translate__SWIG_0(SEXP self,SEXP v)17654 SWIGEXPORT SEXP R_swig_OBMol_Translate__SWIG_0 ( SEXP self, SEXP v) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
17655   OpenBabel::vector3 *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0;
17656   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17657   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17658     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_Translate" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17659    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
17660   res2 = SWIG_R_ConvertPtr(v, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
17661     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_Translate" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'");  }
17662    if (!argp2) {
17663     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_Translate" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'"); }
17664    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2); (arg1)->Translate((OpenBabel::vector3 const &)*arg2);
17665   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_Translate__SWIG_1(SEXP self,SEXP v,SEXP conf)17666 SWIGEXPORT SEXP R_swig_OBMol_Translate__SWIG_1 ( SEXP self, SEXP v, SEXP conf) {
17667   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; OpenBabel::vector3 *arg2 = 0 ; int arg3 ; void *argp1 = 0 ; int res1 = 0 ;
17668   void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17669   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17670     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_Translate" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17671    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
17672   res2 = SWIG_R_ConvertPtr(v, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
17673     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_Translate" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'");  }
17674    if (!argp2) {
17675     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_Translate" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'"); }
17676    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2); arg3 = static_cast< int >(INTEGER(conf)[0]);
17677   (arg1)->Translate((OpenBabel::vector3 const &)*arg2,arg3); r_ans = R_NilValue; vmaxset(r_vmax);
17678   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_Rotate__SWIG_0(SEXP self,SEXP u)17679 SWIGEXPORT SEXP R_swig_OBMol_Rotate__SWIG_0 ( SEXP self, SEXP u) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
17680   double (*arg2)[3] ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0;
17681   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17682   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17683     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_Rotate" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17684    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); res2 = SWIG_R_ConvertPtr(u, &argp2, SWIGTYPE_p_a_3__double, 0 |  0 );
17685   if (!SWIG_IsOK(res2)) {
17686     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_Rotate" "', argument " "2"" of type '" "double const [3][3]""'");  }
17687     arg2 = reinterpret_cast< double (*)[3] >(argp2); (arg1)->Rotate((double const (*)[3])arg2); r_ans = R_NilValue;
17688   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_Rotate__SWIG_1(SEXP self,SEXP m)17689 SWIGEXPORT SEXP R_swig_OBMol_Rotate__SWIG_1 ( SEXP self, SEXP m) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
17690   double *arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
17691   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
17692   if (!SWIG_IsOK(res1)) {
17693     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_Rotate" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17694    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); { { int _rswigi; int _rswiglen = LENGTH(m);
17695       arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
17696         arg2[_rswigi] = REAL(m)[_rswigi]; }  }  }  (arg1)->Rotate((double const (*))arg2); r_ans = R_NilValue; free(arg2);
17697   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_Rotate__SWIG_2(SEXP self,SEXP m,SEXP nconf)17698 SWIGEXPORT SEXP R_swig_OBMol_Rotate__SWIG_2 ( SEXP self, SEXP m, SEXP nconf) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
17699   double *arg2 ; int arg3 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
17700   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
17701   if (!SWIG_IsOK(res1)) {
17702     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_Rotate" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17703    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); { { int _rswigi; int _rswiglen = LENGTH(m);
17704       arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
17705         arg2[_rswigi] = REAL(m)[_rswigi]; }  }  }  arg3 = static_cast< int >(INTEGER(nconf)[0]);
17706   (arg1)->Rotate((double const (*))arg2,arg3); r_ans = R_NilValue; free(arg2); vmaxset(r_vmax);
17707   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_Center__SWIG_0(SEXP self)17708 SWIGEXPORT SEXP R_swig_OBMol_Center__SWIG_0 ( SEXP self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ;
17709   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17710   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17711     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_Center" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17712    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); (arg1)->Center(); r_ans = R_NilValue; vmaxset(r_vmax);
17713   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_Kekulize(SEXP self,SEXP s_swig_copy)17714 SWIGEXPORT SEXP R_swig_OBMol_Kekulize ( SEXP self, SEXP s_swig_copy) { bool result;
17715   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17716   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17717   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17718     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_Kekulize" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17719    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (bool)(arg1)->Kekulize(); r_ans = Rf_ScalarLogical(result);
17720   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_PerceiveKekuleBonds(SEXP self,SEXP s_swig_copy)17721 SWIGEXPORT SEXP R_swig_OBMol_PerceiveKekuleBonds ( SEXP self, SEXP s_swig_copy) { bool result;
17722   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17723   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17724   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17725     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_PerceiveKekuleBonds" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17726    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (bool)(arg1)->PerceiveKekuleBonds();
17727   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_NewPerceiveKekuleBonds(SEXP self)17728 SWIGEXPORT SEXP R_swig_OBMol_NewPerceiveKekuleBonds ( SEXP self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
17729   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17730   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17731     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_NewPerceiveKekuleBonds" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17732    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); (arg1)->NewPerceiveKekuleBonds(); r_ans = R_NilValue; vmaxset(r_vmax);
17733   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_DeleteHydrogens__SWIG_0(SEXP self,SEXP s_swig_copy)17734 SWIGEXPORT SEXP R_swig_OBMol_DeleteHydrogens__SWIG_0 ( SEXP self, SEXP s_swig_copy) { bool result;
17735   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17736   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17737   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17738     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_DeleteHydrogens" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17739    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (bool)(arg1)->DeleteHydrogens();
17740   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_DeleteHydrogens__SWIG_1(SEXP self,SEXP s_arg2,SEXP s_swig_copy)17741 SWIGEXPORT SEXP R_swig_OBMol_DeleteHydrogens__SWIG_1 ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
17742   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ;
17743   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
17744   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
17745   if (!SWIG_IsOK(res1)) {
17746     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_DeleteHydrogens" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17747    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
17748   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
17749     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_DeleteHydrogens" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
17750    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (bool)(arg1)->DeleteHydrogens(arg2);
17751   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_DeletePolarHydrogens(SEXP self,SEXP s_swig_copy)17752 SWIGEXPORT SEXP R_swig_OBMol_DeletePolarHydrogens ( SEXP self, SEXP s_swig_copy) { bool result;
17753   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17754   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17755   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17756     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_DeletePolarHydrogens" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17757    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (bool)(arg1)->DeletePolarHydrogens();
17758   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_DeleteNonPolarHydrogens(SEXP self,SEXP s_swig_copy)17759 SWIGEXPORT SEXP R_swig_OBMol_DeleteNonPolarHydrogens ( SEXP self, SEXP s_swig_copy) { bool result;
17760   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17761   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17762   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17763     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_DeleteNonPolarHydrogens" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17764    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (bool)(arg1)->DeleteNonPolarHydrogens();
17765   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_DeleteHydrogen(SEXP self,SEXP s_arg2,SEXP s_swig_copy)17766 SWIGEXPORT SEXP R_swig_OBMol_DeleteHydrogen ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
17767   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ;
17768   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
17769   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
17770   if (!SWIG_IsOK(res1)) {
17771     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_DeleteHydrogen" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17772    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
17773   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
17774     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_DeleteHydrogen" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
17775    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (bool)(arg1)->DeleteHydrogen(arg2);
17776   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_AddHydrogens__SWIG_0(SEXP self,SEXP polaronly,SEXP correctForPH,SEXP pH,SEXP s_swig_copy)17777 SWIGEXPORT SEXP R_swig_OBMol_AddHydrogens__SWIG_0 ( SEXP self, SEXP polaronly, SEXP correctForPH, SEXP pH, SEXP s_swig_copy) {
17778   bool result; OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; bool arg2 ; bool arg3 ; double arg4 ; void *argp1 = 0 ;
17779   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17780   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17781     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_AddHydrogens" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17782    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = LOGICAL(polaronly)[0] ? true : false;
17783   arg3 = LOGICAL(correctForPH)[0] ? true : false; arg4 = static_cast< double >(REAL(pH)[0]);
17784   result = (bool)(arg1)->AddHydrogens(arg2,arg3,arg4); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
17785   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_AddHydrogens__SWIG_1(SEXP self,SEXP polaronly,SEXP correctForPH,SEXP s_swig_copy)17786 SWIGEXPORT SEXP R_swig_OBMol_AddHydrogens__SWIG_1 ( SEXP self, SEXP polaronly, SEXP correctForPH, SEXP s_swig_copy) {
17787   bool result; OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; bool arg2 ; bool arg3 ; void *argp1 = 0 ; int res1 = 0 ;
17788   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17789   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17790     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_AddHydrogens" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17791    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = LOGICAL(polaronly)[0] ? true : false;
17792   arg3 = LOGICAL(correctForPH)[0] ? true : false; result = (bool)(arg1)->AddHydrogens(arg2,arg3);
17793   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_AddHydrogens__SWIG_2(SEXP self,SEXP polaronly,SEXP s_swig_copy)17794 SWIGEXPORT SEXP R_swig_OBMol_AddHydrogens__SWIG_2 ( SEXP self, SEXP polaronly, SEXP s_swig_copy) { bool result;
17795   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17796   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17797   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17798     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_AddHydrogens" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17799    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = LOGICAL(polaronly)[0] ? true : false;
17800   result = (bool)(arg1)->AddHydrogens(arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
17801   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_AddHydrogens__SWIG_3(SEXP self,SEXP s_swig_copy)17802 SWIGEXPORT SEXP R_swig_OBMol_AddHydrogens__SWIG_3 ( SEXP self, SEXP s_swig_copy) { bool result;
17803   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17804   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17805   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17806     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_AddHydrogens" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17807    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (bool)(arg1)->AddHydrogens();
17808   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_AddHydrogens__SWIG_4(SEXP self,SEXP s_arg2,SEXP s_swig_copy)17809 SWIGEXPORT SEXP R_swig_OBMol_AddHydrogens__SWIG_4 ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
17810   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ;
17811   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
17812   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
17813   if (!SWIG_IsOK(res1)) {
17814     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_AddHydrogens" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17815    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
17816   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
17817     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_AddHydrogens" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
17818    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (bool)(arg1)->AddHydrogens(arg2);
17819   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_AddPolarHydrogens(SEXP self,SEXP s_swig_copy)17820 SWIGEXPORT SEXP R_swig_OBMol_AddPolarHydrogens ( SEXP self, SEXP s_swig_copy) { bool result;
17821   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17822   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17823   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17824     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_AddPolarHydrogens" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17825    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (bool)(arg1)->AddPolarHydrogens();
17826   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_AddNonPolarHydrogens(SEXP self,SEXP s_swig_copy)17827 SWIGEXPORT SEXP R_swig_OBMol_AddNonPolarHydrogens ( SEXP self, SEXP s_swig_copy) { bool result;
17828   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17829   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17830   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17831     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_AddNonPolarHydrogens" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17832    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (bool)(arg1)->AddNonPolarHydrogens();
17833   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
17834 SWIGEXPORT SEXP
R_swig_OBMol_AddNewHydrogens__SWIG_0(SEXP self,SEXP whichHydrogen,SEXP correctForPH,SEXP pH,SEXP s_swig_copy)17835 R_swig_OBMol_AddNewHydrogens__SWIG_0 ( SEXP self, SEXP whichHydrogen, SEXP correctForPH, SEXP pH, SEXP s_swig_copy) {
17836   bool result; OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; OpenBabel::HydrogenType arg2 ; bool arg3 ; double arg4 ;
17837   void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
17838   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
17839   if (!SWIG_IsOK(res1)) {
17840     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_AddNewHydrogens" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17841    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); ecode2 = SWIG_AsVal_int(whichHydrogen, &val2);
17842   if (!SWIG_IsOK(ecode2)) {
17843     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMol_AddNewHydrogens" "', argument " "2"" of type '" "OpenBabel::HydrogenType""'"); }
17844     arg2 = static_cast< OpenBabel::HydrogenType >(val2); arg3 = LOGICAL(correctForPH)[0] ? true : false;
17845   arg4 = static_cast< double >(REAL(pH)[0]); result = (bool)(arg1)->AddNewHydrogens(arg2,arg3,arg4);
17846   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_AddNewHydrogens__SWIG_1(SEXP self,SEXP whichHydrogen,SEXP correctForPH,SEXP s_swig_copy)17847 SWIGEXPORT SEXP R_swig_OBMol_AddNewHydrogens__SWIG_1 ( SEXP self, SEXP whichHydrogen, SEXP correctForPH, SEXP s_swig_copy) {
17848   bool result; OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; OpenBabel::HydrogenType arg2 ; bool arg3 ; void *argp1 = 0 ;
17849   int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
17850   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
17851   if (!SWIG_IsOK(res1)) {
17852     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_AddNewHydrogens" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17853    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); ecode2 = SWIG_AsVal_int(whichHydrogen, &val2);
17854   if (!SWIG_IsOK(ecode2)) {
17855     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMol_AddNewHydrogens" "', argument " "2"" of type '" "OpenBabel::HydrogenType""'"); }
17856     arg2 = static_cast< OpenBabel::HydrogenType >(val2); arg3 = LOGICAL(correctForPH)[0] ? true : false;
17857   result = (bool)(arg1)->AddNewHydrogens(arg2,arg3); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
17858   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_AddNewHydrogens__SWIG_2(SEXP self,SEXP whichHydrogen,SEXP s_swig_copy)17859 SWIGEXPORT SEXP R_swig_OBMol_AddNewHydrogens__SWIG_2 ( SEXP self, SEXP whichHydrogen, SEXP s_swig_copy) { bool result;
17860   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; OpenBabel::HydrogenType arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ;
17861   int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17862   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17863     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_AddNewHydrogens" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17864    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); ecode2 = SWIG_AsVal_int(whichHydrogen, &val2);
17865   if (!SWIG_IsOK(ecode2)) {
17866     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMol_AddNewHydrogens" "', argument " "2"" of type '" "OpenBabel::HydrogenType""'"); }
17867     arg2 = static_cast< OpenBabel::HydrogenType >(val2); result = (bool)(arg1)->AddNewHydrogens(arg2);
17868   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_StripSalts__SWIG_0(SEXP self,SEXP threshold,SEXP s_swig_copy)17869 SWIGEXPORT SEXP R_swig_OBMol_StripSalts__SWIG_0 ( SEXP self, SEXP threshold, SEXP s_swig_copy) { bool result;
17870   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17871   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17872   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17873     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_StripSalts" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17874    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = static_cast< int >(INTEGER(threshold)[0]);
17875   result = (bool)(arg1)->StripSalts(arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
17876   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_StripSalts__SWIG_1(SEXP self,SEXP s_swig_copy)17877 SWIGEXPORT SEXP R_swig_OBMol_StripSalts__SWIG_1 ( SEXP self, SEXP s_swig_copy) { bool result;
17878   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17879   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17880   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17881     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_StripSalts" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17882    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (bool)(arg1)->StripSalts(); r_ans = Rf_ScalarLogical(result);
17883   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_Separate__SWIG_0(SEXP self,SEXP StartIndex,SEXP s_swig_copy)17884 SWIGEXPORT SEXP R_swig_OBMol_Separate__SWIG_0 ( SEXP self, SEXP StartIndex, SEXP s_swig_copy) {
17885   std::vector< OpenBabel::OBMol,std::allocator< OpenBabel::OBMol > > result; OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
17886   int arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
17887   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
17888   if (!SWIG_IsOK(res1)) {
17889     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_Separate" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17890    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = static_cast< int >(INTEGER(StartIndex)[0]);
17891   result = (arg1)->Separate(arg2);
17892   r_ans = swig::from(static_cast< std::vector<OpenBabel::OBMol,std::allocator< OpenBabel::OBMol > > >(result)); vmaxset(r_vmax);
17893   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_Separate__SWIG_1(SEXP self,SEXP s_swig_copy)17894 SWIGEXPORT SEXP R_swig_OBMol_Separate__SWIG_1 ( SEXP self, SEXP s_swig_copy) {
17895   std::vector< OpenBabel::OBMol,std::allocator< OpenBabel::OBMol > > result; OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
17896   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17897   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17898     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_Separate" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17899    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (arg1)->Separate();
17900   r_ans = swig::from(static_cast< std::vector<OpenBabel::OBMol,std::allocator< OpenBabel::OBMol > > >(result)); vmaxset(r_vmax);
17901   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_GetNextFragment(SEXP self,SEXP iter,SEXP newMol,SEXP s_swig_copy)17902 SWIGEXPORT SEXP R_swig_OBMol_GetNextFragment ( SEXP self, SEXP iter, SEXP newMol, SEXP s_swig_copy) { bool result;
17903   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; OpenBabel::OBMolAtomDFSIter *arg2 = 0 ; OpenBabel::OBMol *arg3 = 0 ;
17904   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ;
17905   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17906   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17907     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_GetNextFragment" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17908    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
17909   res2 = SWIG_R_ConvertPtr(iter, &argp2, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter,  0 ); if (!SWIG_IsOK(res2)) {
17910     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_GetNextFragment" "', argument " "2"" of type '" "OpenBabel::OBMolAtomDFSIter &""'");  }
17911    if (!argp2) {
17912     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_GetNextFragment" "', argument " "2"" of type '" "OpenBabel::OBMolAtomDFSIter &""'"); }
17913    arg2 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp2);
17914   res3 = SWIG_R_ConvertPtr(newMol, &argp3, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res3)) {
17915     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBMol_GetNextFragment" "', argument " "3"" of type '" "OpenBabel::OBMol &""'");  }
17916    if (!argp3) {
17917     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_GetNextFragment" "', argument " "3"" of type '" "OpenBabel::OBMol &""'"); }
17918    arg3 = reinterpret_cast< OpenBabel::OBMol * >(argp3); result = (bool)(arg1)->GetNextFragment(*arg2,*arg3);
17919   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_ConvertDativeBonds(SEXP self,SEXP s_swig_copy)17920 SWIGEXPORT SEXP R_swig_OBMol_ConvertDativeBonds ( SEXP self, SEXP s_swig_copy) { bool result;
17921   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17922   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17923   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17924     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_ConvertDativeBonds" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17925    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (bool)(arg1)->ConvertDativeBonds();
17926   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_MakeDativeBonds(SEXP self,SEXP s_swig_copy)17927 SWIGEXPORT SEXP R_swig_OBMol_MakeDativeBonds ( SEXP self, SEXP s_swig_copy) { bool result;
17928   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17929   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17930   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17931     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_MakeDativeBonds" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17932    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (bool)(arg1)->MakeDativeBonds();
17933   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_ConvertZeroBonds(SEXP self,SEXP s_swig_copy)17934 SWIGEXPORT SEXP R_swig_OBMol_ConvertZeroBonds ( SEXP self, SEXP s_swig_copy) { bool result;
17935   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17936   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17937   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17938     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_ConvertZeroBonds" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17939    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (bool)(arg1)->ConvertZeroBonds();
17940   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_CorrectForPH__SWIG_0(SEXP self,SEXP pH,SEXP s_swig_copy)17941 SWIGEXPORT SEXP R_swig_OBMol_CorrectForPH__SWIG_0 ( SEXP self, SEXP pH, SEXP s_swig_copy) { bool result;
17942   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; double arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17943   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17944   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17945     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_CorrectForPH" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17946    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = static_cast< double >(REAL(pH)[0]);
17947   result = (bool)(arg1)->CorrectForPH(arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
17948   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_CorrectForPH__SWIG_1(SEXP self,SEXP s_swig_copy)17949 SWIGEXPORT SEXP R_swig_OBMol_CorrectForPH__SWIG_1 ( SEXP self, SEXP s_swig_copy) { bool result;
17950   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17951   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17952   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17953     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_CorrectForPH" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17954    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (bool)(arg1)->CorrectForPH();
17955   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_AssignSpinMultiplicity__SWIG_0(SEXP self,SEXP NoImplicitH,SEXP s_swig_copy)17956 SWIGEXPORT SEXP R_swig_OBMol_AssignSpinMultiplicity__SWIG_0 ( SEXP self, SEXP NoImplicitH, SEXP s_swig_copy) { bool result;
17957   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17958   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17959   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17960     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_AssignSpinMultiplicity" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17961    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = LOGICAL(NoImplicitH)[0] ? true : false;
17962   result = (bool)(arg1)->AssignSpinMultiplicity(arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
17963   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_AssignSpinMultiplicity__SWIG_1(SEXP self,SEXP s_swig_copy)17964 SWIGEXPORT SEXP R_swig_OBMol_AssignSpinMultiplicity__SWIG_1 ( SEXP self, SEXP s_swig_copy) { bool result;
17965   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17966   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17967   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17968     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_AssignSpinMultiplicity" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17969    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (bool)(arg1)->AssignSpinMultiplicity();
17970   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_AssignTotalChargeToAtoms(SEXP self,SEXP charge,SEXP s_swig_copy)17971 SWIGEXPORT SEXP R_swig_OBMol_AssignTotalChargeToAtoms ( SEXP self, SEXP charge, SEXP s_swig_copy) { bool result;
17972   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17973   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17974   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17975     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_AssignTotalChargeToAtoms" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17976    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = static_cast< int >(INTEGER(charge)[0]);
17977   result = (bool)(arg1)->AssignTotalChargeToAtoms(arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
17978   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_SetIsPatternStructure(SEXP self)17979 SWIGEXPORT SEXP R_swig_OBMol_SetIsPatternStructure ( SEXP self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
17980   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17981   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17982     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_SetIsPatternStructure" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17983    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); (arg1)->SetIsPatternStructure(); r_ans = R_NilValue; vmaxset(r_vmax);
17984   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_Center__SWIG_1(SEXP self,SEXP nconf,SEXP s_swig_copy)17985 SWIGEXPORT SEXP R_swig_OBMol_Center__SWIG_1 ( SEXP self, SEXP nconf, SEXP s_swig_copy) { OpenBabel::vector3 result;
17986   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
17987   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
17988   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
17989     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_Center" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
17990    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = static_cast< int >(INTEGER(nconf)[0]);
17991   result = (arg1)->Center(arg2);
17992   r_ans = SWIG_R_NewPointerObj((new OpenBabel::vector3(static_cast< const OpenBabel::vector3& >(result))), SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_OWN |  0 );
17993   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_SetTorsion(SEXP self,SEXP s_arg2,SEXP s_arg3,SEXP s_arg4,SEXP s_arg5,SEXP ang)17994 SWIGEXPORT SEXP R_swig_OBMol_SetTorsion ( SEXP self, SEXP s_arg2, SEXP s_arg3, SEXP s_arg4, SEXP s_arg5, SEXP ang) {
17995   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
17996   OpenBabel::OBAtom *arg3 = (OpenBabel::OBAtom *) 0 ; OpenBabel::OBAtom *arg4 = (OpenBabel::OBAtom *) 0 ;
17997   OpenBabel::OBAtom *arg5 = (OpenBabel::OBAtom *) 0 ; double arg6 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
17998   int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; void *argp4 = 0 ; int res4 = 0 ; void *argp5 = 0 ; int res5 = 0 ;
17999   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18000   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18001     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_SetTorsion" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18002    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
18003   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
18004     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_SetTorsion" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
18005    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2);
18006   res3 = SWIG_R_ConvertPtr(s_arg3, &argp3, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res3)) {
18007     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBMol_SetTorsion" "', argument " "3"" of type '" "OpenBabel::OBAtom *""'");  }
18008    arg3 = reinterpret_cast< OpenBabel::OBAtom * >(argp3);
18009   res4 = SWIG_R_ConvertPtr(s_arg4, &argp4, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res4)) {
18010     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "OBMol_SetTorsion" "', argument " "4"" of type '" "OpenBabel::OBAtom *""'");  }
18011    arg4 = reinterpret_cast< OpenBabel::OBAtom * >(argp4);
18012   res5 = SWIG_R_ConvertPtr(s_arg5, &argp5, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res5)) {
18013     SWIG_exception_fail(SWIG_ArgError(res5), "in method '" "OBMol_SetTorsion" "', argument " "5"" of type '" "OpenBabel::OBAtom *""'");  }
18014    arg5 = reinterpret_cast< OpenBabel::OBAtom * >(argp5); arg6 = static_cast< double >(REAL(ang)[0]);
18015   (arg1)->SetTorsion(arg2,arg3,arg4,arg5,arg6); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
18016   return r_ans; }
R_swig_OBMol_FindSSSR(SEXP self)18017 SWIGEXPORT SEXP R_swig_OBMol_FindSSSR ( SEXP self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ;
18018   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18019   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18020     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_FindSSSR" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18021    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); (arg1)->FindSSSR(); r_ans = R_NilValue; vmaxset(r_vmax);
18022   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_FindLSSR(SEXP self)18023 SWIGEXPORT SEXP R_swig_OBMol_FindLSSR ( SEXP self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ;
18024   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18025   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18026     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_FindLSSR" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18027    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); (arg1)->FindLSSR(); r_ans = R_NilValue; vmaxset(r_vmax);
18028   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_FindRingAtomsAndBonds(SEXP self)18029 SWIGEXPORT SEXP R_swig_OBMol_FindRingAtomsAndBonds ( SEXP self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
18030   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18031   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18032     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_FindRingAtomsAndBonds" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18033    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); (arg1)->FindRingAtomsAndBonds(); r_ans = R_NilValue; vmaxset(r_vmax);
18034   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_FindChiralCenters(SEXP self)18035 SWIGEXPORT SEXP R_swig_OBMol_FindChiralCenters ( SEXP self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
18036   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18037   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18038     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_FindChiralCenters" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18039    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); (arg1)->FindChiralCenters(); r_ans = R_NilValue; vmaxset(r_vmax);
18040   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_FindChildren__SWIG_0(SEXP self,SEXP children,SEXP bgnIdx,SEXP endIdx)18041 SWIGEXPORT SEXP R_swig_OBMol_FindChildren__SWIG_0 ( SEXP self, SEXP children, SEXP bgnIdx, SEXP endIdx) {
18042   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; std::vector< int,std::allocator< int > > *arg2 = 0 ; int arg3 ; int arg4 ;
18043   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
18044   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
18045   if (!SWIG_IsOK(res1)) {
18046     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_FindChildren" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18047    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
18048   res2 = SWIG_R_ConvertPtr(children, &argp2, SWIGTYPE_p_std__vectorT_int_std__allocatorT_int_t_t,  0 ); if (!SWIG_IsOK(res2)) {
18049     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_FindChildren" "', argument " "2"" of type '" "std::vector< int,std::allocator< int > > &""'");  }
18050    if (!argp2) {
18051     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_FindChildren" "', argument " "2"" of type '" "std::vector< int,std::allocator< int > > &""'"); }
18052    arg2 = reinterpret_cast< std::vector< int,std::allocator< int > > * >(argp2); arg3 = static_cast< int >(INTEGER(bgnIdx)[0]);
18053   arg4 = static_cast< int >(INTEGER(endIdx)[0]); (arg1)->FindChildren(*arg2,arg3,arg4); r_ans = R_NilValue; vmaxset(r_vmax);
18054   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_FindChildren__SWIG_1(SEXP self,SEXP children,SEXP bgn,SEXP end)18055 SWIGEXPORT SEXP R_swig_OBMol_FindChildren__SWIG_1 ( SEXP self, SEXP children, SEXP bgn, SEXP end) {
18056   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
18057   std::vector< OpenBabel::OBAtom *,std::allocator< OpenBabel::OBAtom * > > *arg2 = 0 ;
18058   OpenBabel::OBAtom *arg3 = (OpenBabel::OBAtom *) 0 ; OpenBabel::OBAtom *arg4 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ;
18059   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; void *argp4 = 0 ; int res4 = 0 ;
18060   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18061   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18062     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_FindChildren" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18063    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
18064   res2 = SWIG_R_ConvertPtr(children, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBAtom_p_std__allocatorT_OpenBabel__OBAtom_p_t_t,  0 );
18065   if (!SWIG_IsOK(res2)) {
18066     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_FindChildren" "', argument " "2"" of type '" "std::vector< OpenBabel::OBAtom *,std::allocator< OpenBabel::OBAtom * > > &""'");  }
18067    if (!argp2) {
18068     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_FindChildren" "', argument " "2"" of type '" "std::vector< OpenBabel::OBAtom *,std::allocator< OpenBabel::OBAtom * > > &""'"); }
18069    arg2 = reinterpret_cast< std::vector< OpenBabel::OBAtom *,std::allocator< OpenBabel::OBAtom * > > * >(argp2);
18070   res3 = SWIG_R_ConvertPtr(bgn, &argp3, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res3)) {
18071     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBMol_FindChildren" "', argument " "3"" of type '" "OpenBabel::OBAtom *""'");  }
18072    arg3 = reinterpret_cast< OpenBabel::OBAtom * >(argp3);
18073   res4 = SWIG_R_ConvertPtr(end, &argp4, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res4)) {
18074     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "OBMol_FindChildren" "', argument " "4"" of type '" "OpenBabel::OBAtom *""'");  }
18075    arg4 = reinterpret_cast< OpenBabel::OBAtom * >(argp4); (arg1)->FindChildren(*arg2,arg3,arg4); r_ans = R_NilValue;
18076   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_FindLargestFragment(SEXP self,SEXP frag)18077 SWIGEXPORT SEXP R_swig_OBMol_FindLargestFragment ( SEXP self, SEXP frag) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
18078   OpenBabel::OBBitVec *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0;
18079   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18080   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18081     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_FindLargestFragment" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18082    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
18083   res2 = SWIG_R_ConvertPtr(frag, &argp2, SWIGTYPE_p_OpenBabel__OBBitVec,  0 ); if (!SWIG_IsOK(res2)) {
18084     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_FindLargestFragment" "', argument " "2"" of type '" "OpenBabel::OBBitVec &""'");  }
18085    if (!argp2) {
18086     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_FindLargestFragment" "', argument " "2"" of type '" "OpenBabel::OBBitVec &""'"); }
18087    arg2 = reinterpret_cast< OpenBabel::OBBitVec * >(argp2); (arg1)->FindLargestFragment(*arg2); r_ans = R_NilValue;
18088   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_ContigFragList(SEXP self,SEXP s_arg2)18089 SWIGEXPORT SEXP R_swig_OBMol_ContigFragList ( SEXP self, SEXP s_arg2) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
18090   std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > *arg2 = 0 ;
18091   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
18092   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
18093   if (!SWIG_IsOK(res1)) {
18094     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_ContigFragList" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18095    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
18096   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t,  0 );
18097   if (!SWIG_IsOK(res2)) {
18098     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_ContigFragList" "', argument " "2"" of type '" "std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > &""'");  }
18099    if (!argp2) {
18100     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_ContigFragList" "', argument " "2"" of type '" "std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > &""'"); }
18101 
18102   arg2 = reinterpret_cast< std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > * >(argp2);
18103   (arg1)->ContigFragList(*arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_Align(SEXP self,SEXP s_arg2,SEXP s_arg3,SEXP s_arg4,SEXP s_arg5)18104 SWIGEXPORT SEXP R_swig_OBMol_Align ( SEXP self, SEXP s_arg2, SEXP s_arg3, SEXP s_arg4, SEXP s_arg5) {
18105   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
18106   OpenBabel::OBAtom *arg3 = (OpenBabel::OBAtom *) 0 ; OpenBabel::vector3 *arg4 = 0 ; OpenBabel::vector3 *arg5 = 0 ;
18107   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; void *argp4 = 0 ;
18108   int res4 = 0 ; void *argp5 = 0 ; int res5 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
18109   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
18110   if (!SWIG_IsOK(res1)) {
18111     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_Align" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18112    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
18113   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
18114     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_Align" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
18115    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2);
18116   res3 = SWIG_R_ConvertPtr(s_arg3, &argp3, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res3)) {
18117     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBMol_Align" "', argument " "3"" of type '" "OpenBabel::OBAtom *""'");  }
18118    arg3 = reinterpret_cast< OpenBabel::OBAtom * >(argp3);
18119   res4 = SWIG_R_ConvertPtr(s_arg4, &argp4, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res4)) {
18120     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "OBMol_Align" "', argument " "4"" of type '" "OpenBabel::vector3 &""'");  }
18121    if (!argp4) {
18122     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_Align" "', argument " "4"" of type '" "OpenBabel::vector3 &""'"); }
18123    arg4 = reinterpret_cast< OpenBabel::vector3 * >(argp4);
18124   res5 = SWIG_R_ConvertPtr(s_arg5, &argp5, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res5)) {
18125     SWIG_exception_fail(SWIG_ArgError(res5), "in method '" "OBMol_Align" "', argument " "5"" of type '" "OpenBabel::vector3 &""'");  }
18126    if (!argp5) {
18127     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_Align" "', argument " "5"" of type '" "OpenBabel::vector3 &""'"); }
18128    arg5 = reinterpret_cast< OpenBabel::vector3 * >(argp5); (arg1)->Align(arg2,arg3,*arg4,*arg5); r_ans = R_NilValue;
18129   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_ConnectTheDots(SEXP self)18130 SWIGEXPORT SEXP R_swig_OBMol_ConnectTheDots ( SEXP self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ;
18131   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18132   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18133     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_ConnectTheDots" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18134    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); (arg1)->ConnectTheDots(); r_ans = R_NilValue; vmaxset(r_vmax);
18135   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_PerceiveBondOrders(SEXP self)18136 SWIGEXPORT SEXP R_swig_OBMol_PerceiveBondOrders ( SEXP self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
18137   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18138   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18139     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_PerceiveBondOrders" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18140    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); (arg1)->PerceiveBondOrders(); r_ans = R_NilValue; vmaxset(r_vmax);
18141   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_FindAngles(SEXP self)18142 SWIGEXPORT SEXP R_swig_OBMol_FindAngles ( SEXP self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ;
18143   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18144   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18145     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_FindAngles" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18146    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); (arg1)->FindAngles(); r_ans = R_NilValue; vmaxset(r_vmax);
18147   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_FindTorsions(SEXP self)18148 SWIGEXPORT SEXP R_swig_OBMol_FindTorsions ( SEXP self) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ;
18149   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18150   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18151     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_FindTorsions" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18152    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); (arg1)->FindTorsions(); r_ans = R_NilValue; vmaxset(r_vmax);
18153   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_GetGTDVector(SEXP self,SEXP s_arg2,SEXP s_swig_copy)18154 SWIGEXPORT SEXP R_swig_OBMol_GetGTDVector ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
18155   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; std::vector< int,std::allocator< int > > *arg2 = 0 ; void *argp1 = 0 ;
18156   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
18157   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
18158   if (!SWIG_IsOK(res1)) {
18159     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_GetGTDVector" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18160    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
18161   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_std__vectorT_int_std__allocatorT_int_t_t,  0 ); if (!SWIG_IsOK(res2)) {
18162     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_GetGTDVector" "', argument " "2"" of type '" "std::vector< int,std::allocator< int > > &""'");  }
18163    if (!argp2) {
18164     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_GetGTDVector" "', argument " "2"" of type '" "std::vector< int,std::allocator< int > > &""'"); }
18165    arg2 = reinterpret_cast< std::vector< int,std::allocator< int > > * >(argp2); result = (bool)(arg1)->GetGTDVector(*arg2);
18166   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_GetGIVector(SEXP self,SEXP s_arg2)18167 SWIGEXPORT SEXP R_swig_OBMol_GetGIVector ( SEXP self, SEXP s_arg2) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
18168   std::vector< unsigned int,std::allocator< unsigned int > > *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
18169   int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18170   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18171     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_GetGIVector" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18172    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
18173   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t,  0 );
18174   if (!SWIG_IsOK(res2)) {
18175     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_GetGIVector" "', argument " "2"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > &""'");  }
18176    if (!argp2) {
18177     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_GetGIVector" "', argument " "2"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > &""'"); }
18178    arg2 = reinterpret_cast< std::vector< unsigned int,std::allocator< unsigned int > > * >(argp2); (arg1)->GetGIVector(*arg2);
18179   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_GetGIDVector(SEXP self,SEXP s_arg2)18180 SWIGEXPORT SEXP R_swig_OBMol_GetGIDVector ( SEXP self, SEXP s_arg2) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
18181   std::vector< unsigned int,std::allocator< unsigned int > > *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
18182   int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18183   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18184     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_GetGIDVector" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18185    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
18186   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t,  0 );
18187   if (!SWIG_IsOK(res2)) {
18188     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_GetGIDVector" "', argument " "2"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > &""'");  }
18189    if (!argp2) {
18190     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_GetGIDVector" "', argument " "2"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > &""'"); }
18191    arg2 = reinterpret_cast< std::vector< unsigned int,std::allocator< unsigned int > > * >(argp2); (arg1)->GetGIDVector(*arg2);
18192   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_Has2D__SWIG_0(SEXP self,SEXP Not3D,SEXP s_swig_copy)18193 SWIGEXPORT SEXP R_swig_OBMol_Has2D__SWIG_0 ( SEXP self, SEXP Not3D, SEXP s_swig_copy) { bool result;
18194   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
18195   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18196   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18197     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_Has2D" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18198    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = LOGICAL(Not3D)[0] ? true : false;
18199   result = (bool)(arg1)->Has2D(arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
18200   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_Has2D__SWIG_1(SEXP self,SEXP s_swig_copy)18201 SWIGEXPORT SEXP R_swig_OBMol_Has2D__SWIG_1 ( SEXP self, SEXP s_swig_copy) { bool result;
18202   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
18203   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18204   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18205     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_Has2D" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18206    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (bool)(arg1)->Has2D(); r_ans = Rf_ScalarLogical(result);
18207   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_Has3D(SEXP self,SEXP s_swig_copy)18208 SWIGEXPORT SEXP R_swig_OBMol_Has3D ( SEXP self, SEXP s_swig_copy) { bool result;
18209   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
18210   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18211   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18212     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_Has3D" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18213    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (bool)(arg1)->Has3D(); r_ans = Rf_ScalarLogical(result);
18214   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_HasNonZeroCoords(SEXP self,SEXP s_swig_copy)18215 SWIGEXPORT SEXP R_swig_OBMol_HasNonZeroCoords ( SEXP self, SEXP s_swig_copy) { bool result;
18216   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
18217   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18218   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18219     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_HasNonZeroCoords" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18220    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (bool)(arg1)->HasNonZeroCoords();
18221   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_HasAromaticPerceived(SEXP self,SEXP s_swig_copy)18222 SWIGEXPORT SEXP R_swig_OBMol_HasAromaticPerceived ( SEXP self, SEXP s_swig_copy) { bool result;
18223   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
18224   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18225   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18226     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_HasAromaticPerceived" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18227    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (bool)(arg1)->HasAromaticPerceived();
18228   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_HasSSSRPerceived(SEXP self,SEXP s_swig_copy)18229 SWIGEXPORT SEXP R_swig_OBMol_HasSSSRPerceived ( SEXP self, SEXP s_swig_copy) { bool result;
18230   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
18231   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18232   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18233     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_HasSSSRPerceived" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18234    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (bool)(arg1)->HasSSSRPerceived();
18235   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_HasLSSRPerceived(SEXP self,SEXP s_swig_copy)18236 SWIGEXPORT SEXP R_swig_OBMol_HasLSSRPerceived ( SEXP self, SEXP s_swig_copy) { bool result;
18237   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
18238   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18239   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18240     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_HasLSSRPerceived" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18241    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (bool)(arg1)->HasLSSRPerceived();
18242   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_HasRingAtomsAndBondsPerceived(SEXP self,SEXP s_swig_copy)18243 SWIGEXPORT SEXP R_swig_OBMol_HasRingAtomsAndBondsPerceived ( SEXP self, SEXP s_swig_copy) { bool result;
18244   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
18245   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18246   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18247     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_HasRingAtomsAndBondsPerceived" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18248    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (bool)(arg1)->HasRingAtomsAndBondsPerceived();
18249   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_HasAtomTypesPerceived(SEXP self,SEXP s_swig_copy)18250 SWIGEXPORT SEXP R_swig_OBMol_HasAtomTypesPerceived ( SEXP self, SEXP s_swig_copy) { bool result;
18251   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
18252   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18253   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18254     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_HasAtomTypesPerceived" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18255    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (bool)(arg1)->HasAtomTypesPerceived();
18256   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_HasRingTypesPerceived(SEXP self,SEXP s_swig_copy)18257 SWIGEXPORT SEXP R_swig_OBMol_HasRingTypesPerceived ( SEXP self, SEXP s_swig_copy) { bool result;
18258   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
18259   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18260   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18261     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_HasRingTypesPerceived" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18262    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (bool)(arg1)->HasRingTypesPerceived();
18263   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_HasChiralityPerceived(SEXP self,SEXP s_swig_copy)18264 SWIGEXPORT SEXP R_swig_OBMol_HasChiralityPerceived ( SEXP self, SEXP s_swig_copy) { bool result;
18265   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
18266   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18267   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18268     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_HasChiralityPerceived" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18269    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (bool)(arg1)->HasChiralityPerceived();
18270   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_HasPartialChargesPerceived(SEXP self,SEXP s_swig_copy)18271 SWIGEXPORT SEXP R_swig_OBMol_HasPartialChargesPerceived ( SEXP self, SEXP s_swig_copy) { bool result;
18272   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
18273   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18274   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18275     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_HasPartialChargesPerceived" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18276    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (bool)(arg1)->HasPartialChargesPerceived();
18277   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_HasHybridizationPerceived(SEXP self,SEXP s_swig_copy)18278 SWIGEXPORT SEXP R_swig_OBMol_HasHybridizationPerceived ( SEXP self, SEXP s_swig_copy) { bool result;
18279   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
18280   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18281   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18282     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_HasHybridizationPerceived" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18283    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (bool)(arg1)->HasHybridizationPerceived();
18284   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_HasImplicitValencePerceived(SEXP self,SEXP s_swig_copy)18285 SWIGEXPORT SEXP R_swig_OBMol_HasImplicitValencePerceived ( SEXP self, SEXP s_swig_copy) { bool result;
18286   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
18287   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18288   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18289     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_HasImplicitValencePerceived" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18290    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (bool)(arg1)->HasImplicitValencePerceived();
18291   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_HasKekulePerceived(SEXP self,SEXP s_swig_copy)18292 SWIGEXPORT SEXP R_swig_OBMol_HasKekulePerceived ( SEXP self, SEXP s_swig_copy) { bool result;
18293   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
18294   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18295   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18296     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_HasKekulePerceived" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18297    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (bool)(arg1)->HasKekulePerceived();
18298   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_HasClosureBondsPerceived(SEXP self,SEXP s_swig_copy)18299 SWIGEXPORT SEXP R_swig_OBMol_HasClosureBondsPerceived ( SEXP self, SEXP s_swig_copy) { bool result;
18300   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
18301   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18302   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18303     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_HasClosureBondsPerceived" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18304    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (bool)(arg1)->HasClosureBondsPerceived();
18305   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_HasChainsPerceived(SEXP self,SEXP s_swig_copy)18306 SWIGEXPORT SEXP R_swig_OBMol_HasChainsPerceived ( SEXP self, SEXP s_swig_copy) { bool result;
18307   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
18308   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18309   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18310     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_HasChainsPerceived" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18311    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (bool)(arg1)->HasChainsPerceived();
18312   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_HasHydrogensAdded(SEXP self,SEXP s_swig_copy)18313 SWIGEXPORT SEXP R_swig_OBMol_HasHydrogensAdded ( SEXP self, SEXP s_swig_copy) { bool result;
18314   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
18315   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18316   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18317     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_HasHydrogensAdded" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18318    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (bool)(arg1)->HasHydrogensAdded();
18319   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_HasAromaticCorrected(SEXP self,SEXP s_swig_copy)18320 SWIGEXPORT SEXP R_swig_OBMol_HasAromaticCorrected ( SEXP self, SEXP s_swig_copy) { bool result;
18321   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
18322   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18323   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18324     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_HasAromaticCorrected" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18325    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (bool)(arg1)->HasAromaticCorrected();
18326   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_IsCorrectedForPH(SEXP self,SEXP s_swig_copy)18327 SWIGEXPORT SEXP R_swig_OBMol_IsCorrectedForPH ( SEXP self, SEXP s_swig_copy) { bool result;
18328   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
18329   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18330   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18331     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_IsCorrectedForPH" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18332    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (bool)(arg1)->IsCorrectedForPH();
18333   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_HasSpinMultiplicityAssigned(SEXP self,SEXP s_swig_copy)18334 SWIGEXPORT SEXP R_swig_OBMol_HasSpinMultiplicityAssigned ( SEXP self, SEXP s_swig_copy) { bool result;
18335   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
18336   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18337   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18338     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_HasSpinMultiplicityAssigned" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18339    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (bool)(arg1)->HasSpinMultiplicityAssigned();
18340   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_IsChiral(SEXP self,SEXP s_swig_copy)18341 SWIGEXPORT SEXP R_swig_OBMol_IsChiral ( SEXP self, SEXP s_swig_copy) { bool result;
18342   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
18343   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18344   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18345     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_IsChiral" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18346    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (bool)(arg1)->IsChiral(); r_ans = Rf_ScalarLogical(result);
18347   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_Empty(SEXP self,SEXP s_swig_copy)18348 SWIGEXPORT SEXP R_swig_OBMol_Empty ( SEXP self, SEXP s_swig_copy) { bool result;
18349   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
18350   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18351   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18352     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_Empty" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18353    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (bool)(arg1)->Empty(); r_ans = Rf_ScalarLogical(result);
18354   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_NumConformers(SEXP self,SEXP s_swig_copy)18355 SWIGEXPORT SEXP R_swig_OBMol_NumConformers ( SEXP self, SEXP s_swig_copy) { int result;
18356   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
18357   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18358   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18359     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_NumConformers" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18360    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (int)(arg1)->NumConformers();
18361   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_SetConformers(SEXP self,SEXP v)18362 SWIGEXPORT SEXP R_swig_OBMol_SetConformers ( SEXP self, SEXP v) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
18363   std::vector< double *,std::allocator< double * > > *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
18364   int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18365   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18366     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_SetConformers" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18367    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
18368   res2 = SWIG_R_ConvertPtr(v, &argp2, SWIGTYPE_p_std__vectorT_double_p_std__allocatorT_double_p_t_t,  0 );
18369   if (!SWIG_IsOK(res2)) {
18370     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_SetConformers" "', argument " "2"" of type '" "std::vector< double *,std::allocator< double * > > &""'");  }
18371    if (!argp2) {
18372     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_SetConformers" "', argument " "2"" of type '" "std::vector< double *,std::allocator< double * > > &""'"); }
18373    arg2 = reinterpret_cast< std::vector< double *,std::allocator< double * > > * >(argp2); (arg1)->SetConformers(*arg2);
18374   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_AddConformer(SEXP self,SEXP f)18375 SWIGEXPORT SEXP R_swig_OBMol_AddConformer ( SEXP self, SEXP f) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
18376   double *arg2 = (double *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
18377   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
18378   if (!SWIG_IsOK(res1)) {
18379     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_AddConformer" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18380    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); { { int _rswigi; int _rswiglen = LENGTH(f);
18381       arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
18382         arg2[_rswigi] = REAL(f)[_rswigi]; }  }  }  (arg1)->AddConformer(arg2); r_ans = R_NilValue; free(arg2); vmaxset(r_vmax);
18383   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_SetConformer(SEXP self,SEXP i)18384 SWIGEXPORT SEXP R_swig_OBMol_SetConformer ( SEXP self, SEXP i) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; int arg2 ;
18385   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18386   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18387     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_SetConformer" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18388    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = static_cast< int >(INTEGER(i)[0]); (arg1)->SetConformer(arg2);
18389   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_CopyConformer(SEXP self,SEXP c,SEXP nconf)18390 SWIGEXPORT SEXP R_swig_OBMol_CopyConformer ( SEXP self, SEXP c, SEXP nconf) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
18391   double *arg2 = (double *) 0 ; int arg3 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
18392   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18393   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18394     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_CopyConformer" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18395    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); { { int _rswigi; int _rswiglen = LENGTH(c);
18396       arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
18397         arg2[_rswigi] = REAL(c)[_rswigi]; }  }  }  arg3 = static_cast< int >(INTEGER(nconf)[0]);
18398   (arg1)->CopyConformer(arg2,arg3); r_ans = R_NilValue; free(arg2); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
18399   return r_ans; }
R_swig_OBMol_DeleteConformer(SEXP self,SEXP nconf)18400 SWIGEXPORT SEXP R_swig_OBMol_DeleteConformer ( SEXP self, SEXP nconf) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
18401   int arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
18402   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
18403   if (!SWIG_IsOK(res1)) {
18404     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_DeleteConformer" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18405    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = static_cast< int >(INTEGER(nconf)[0]);
18406   (arg1)->DeleteConformer(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_GetConformer(SEXP self,SEXP i)18407 SWIGEXPORT SEXP R_swig_OBMol_GetConformer ( SEXP self, SEXP i) { double *result = 0 ;
18408   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
18409   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18410   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18411     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_GetConformer" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18412    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = static_cast< int >(INTEGER(i)[0]);
18413   result = (double *)(arg1)->GetConformer(arg2);
18414   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_double, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
18415   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_SetEnergies(SEXP self,SEXP energies)18416 SWIGEXPORT SEXP R_swig_OBMol_SetEnergies ( SEXP self, SEXP energies) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
18417   std::vector< double,std::allocator< double > > *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
18418   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18419   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18420     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_SetEnergies" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18421    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
18422   res2 = SWIG_R_ConvertPtr(energies, &argp2, SWIGTYPE_p_std__vectorT_double_std__allocatorT_double_t_t,  0 );
18423   if (!SWIG_IsOK(res2)) {
18424     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_SetEnergies" "', argument " "2"" of type '" "std::vector< double,std::allocator< double > > &""'");  }
18425    if (!argp2) {
18426     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_SetEnergies" "', argument " "2"" of type '" "std::vector< double,std::allocator< double > > &""'"); }
18427    arg2 = reinterpret_cast< std::vector< double,std::allocator< double > > * >(argp2); (arg1)->SetEnergies(*arg2);
18428   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_GetEnergies(SEXP self,SEXP s_swig_copy)18429 SWIGEXPORT SEXP R_swig_OBMol_GetEnergies ( SEXP self, SEXP s_swig_copy) { std::vector< double,std::allocator< double > > result;
18430   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
18431   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18432   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18433     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_GetEnergies" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18434    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (arg1)->GetEnergies();
18435   r_ans = swig::from(static_cast< std::vector<double,std::allocator< double > > >(result)); vmaxset(r_vmax);
18436   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_GetEnergy__SWIG_1(SEXP self,SEXP ci,SEXP s_swig_copy)18437 SWIGEXPORT SEXP R_swig_OBMol_GetEnergy__SWIG_1 ( SEXP self, SEXP ci, SEXP s_swig_copy) { double result;
18438   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
18439   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18440   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18441     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_GetEnergy" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18442    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = static_cast< int >(INTEGER(ci)[0]);
18443   result = (double)(arg1)->GetEnergy(arg2); r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax);
18444   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_BeginConformer(SEXP self,SEXP i)18445 SWIGEXPORT SEXP R_swig_OBMol_BeginConformer ( SEXP self, SEXP i) { double *result = 0 ;
18446   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; std::vector< double *,std::allocator< double * > >::iterator *arg2 = 0 ;
18447   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
18448   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
18449   if (!SWIG_IsOK(res1)) {
18450     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_BeginConformer" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18451    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
18452   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__vectorT_double_p_std__allocatorT_double_p_t_t__iterator,  0 );
18453   if (!SWIG_IsOK(res2)) {
18454     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_BeginConformer" "', argument " "2"" of type '" "std::vector< double *,std::allocator< double * > >::iterator &""'");  }
18455    if (!argp2) {
18456     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_BeginConformer" "', argument " "2"" of type '" "std::vector< double *,std::allocator< double * > >::iterator &""'"); }
18457    arg2 = reinterpret_cast< std::vector< double *,std::allocator< double * > >::iterator * >(argp2);
18458   result = (double *)(arg1)->BeginConformer(*arg2);
18459   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_double, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
18460   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_NextConformer(SEXP self,SEXP i)18461 SWIGEXPORT SEXP R_swig_OBMol_NextConformer ( SEXP self, SEXP i) { double *result = 0 ;
18462   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; std::vector< double *,std::allocator< double * > >::iterator *arg2 = 0 ;
18463   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
18464   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
18465   if (!SWIG_IsOK(res1)) {
18466     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_NextConformer" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18467    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
18468   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__vectorT_double_p_std__allocatorT_double_p_t_t__iterator,  0 );
18469   if (!SWIG_IsOK(res2)) {
18470     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_NextConformer" "', argument " "2"" of type '" "std::vector< double *,std::allocator< double * > >::iterator &""'");  }
18471    if (!argp2) {
18472     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_NextConformer" "', argument " "2"" of type '" "std::vector< double *,std::allocator< double * > >::iterator &""'"); }
18473    arg2 = reinterpret_cast< std::vector< double *,std::allocator< double * > >::iterator * >(argp2);
18474   result = (double *)(arg1)->NextConformer(*arg2);
18475   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_double, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
18476   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_GetConformers(SEXP self,SEXP s_swig_copy)18477 SWIGEXPORT SEXP R_swig_OBMol_GetConformers ( SEXP self, SEXP s_swig_copy) {
18478   std::vector< double *,std::allocator< double * > > *result = 0 ; OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
18479   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18480   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18481     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_GetConformers" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18482    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
18483   result = (std::vector< double *,std::allocator< double * > > *) &(arg1)->GetConformers();
18484   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_double_p_std__allocatorT_double_p_t_t, R_SWIG_EXTERNAL |  0 );
18485   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_BeginInternalCoord(SEXP self,SEXP i)18486 SWIGEXPORT SEXP R_swig_OBMol_BeginInternalCoord ( SEXP self, SEXP i) { OpenBabel::OBInternalCoord *result = 0 ;
18487   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
18488   std::vector< OpenBabel::OBInternalCoord *,std::allocator< OpenBabel::OBInternalCoord * > >::iterator *arg2 = 0 ;
18489   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
18490   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
18491   if (!SWIG_IsOK(res1)) {
18492     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_BeginInternalCoord" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18493    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
18494   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBInternalCoord_p_std__allocatorT_OpenBabel__OBInternalCoord_p_t_t__iterator,  0 );
18495   if (!SWIG_IsOK(res2)) {
18496     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_BeginInternalCoord" "', argument " "2"" of type '" "std::vector< OpenBabel::OBInternalCoord *,std::allocator< OpenBabel::OBInternalCoord * > >::iterator &""'");  }
18497    if (!argp2) {
18498     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_BeginInternalCoord" "', argument " "2"" of type '" "std::vector< OpenBabel::OBInternalCoord *,std::allocator< OpenBabel::OBInternalCoord * > >::iterator &""'"); }
18499 
18500   arg2 = reinterpret_cast< std::vector< OpenBabel::OBInternalCoord *,std::allocator< OpenBabel::OBInternalCoord * > >::iterator * >(argp2);
18501   result = (OpenBabel::OBInternalCoord *)(arg1)->BeginInternalCoord(*arg2);
18502   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBInternalCoord, R_SWIG_EXTERNAL |  0 );
18503   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMol_NextInternalCoord(SEXP self,SEXP i)18504 SWIGEXPORT SEXP R_swig_OBMol_NextInternalCoord ( SEXP self, SEXP i) { OpenBabel::OBInternalCoord *result = 0 ;
18505   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
18506   std::vector< OpenBabel::OBInternalCoord *,std::allocator< OpenBabel::OBInternalCoord * > >::iterator *arg2 = 0 ;
18507   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
18508   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
18509   if (!SWIG_IsOK(res1)) {
18510     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMol_NextInternalCoord" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
18511    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
18512   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBInternalCoord_p_std__allocatorT_OpenBabel__OBInternalCoord_p_t_t__iterator,  0 );
18513   if (!SWIG_IsOK(res2)) {
18514     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMol_NextInternalCoord" "', argument " "2"" of type '" "std::vector< OpenBabel::OBInternalCoord *,std::allocator< OpenBabel::OBInternalCoord * > >::iterator &""'");  }
18515    if (!argp2) {
18516     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMol_NextInternalCoord" "', argument " "2"" of type '" "std::vector< OpenBabel::OBInternalCoord *,std::allocator< OpenBabel::OBInternalCoord * > >::iterator &""'"); }
18517 
18518   arg2 = reinterpret_cast< std::vector< OpenBabel::OBInternalCoord *,std::allocator< OpenBabel::OBInternalCoord * > >::iterator * >(argp2);
18519   result = (OpenBabel::OBInternalCoord *)(arg1)->NextInternalCoord(*arg2);
18520   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBInternalCoord, R_SWIG_EXTERNAL |  0 );
18521   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_ThrowError__SWIG_0(SEXP str)18522 SWIGEXPORT SEXP R_swig_ThrowError__SWIG_0 ( SEXP str) { char *arg1 = (char *) 0 ; unsigned int r_nprotect = 0;
18523   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18524   arg1 = reinterpret_cast< char * >(SWIG_strdup(CHAR(STRING_ELT(str, 0)))); OpenBabel::ThrowError(arg1); r_ans = R_NilValue;
18525   free(arg1); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_ThrowError__SWIG_1(SEXP str)18526 SWIGEXPORT SEXP R_swig_ThrowError__SWIG_1 ( SEXP str) { std::string *arg1 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
18527   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18528   res1 = SWIG_R_ConvertPtr(str, &argp1, SWIGTYPE_p_std__string,  0 ); if (!SWIG_IsOK(res1)) {
18529     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "ThrowError" "', argument " "1"" of type '" "std::string &""'");  }
18530   if (!argp1) {
18531     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "ThrowError" "', argument " "1"" of type '" "std::string &""'"); }
18532    arg1 = reinterpret_cast< std::string * >(argp1); OpenBabel::ThrowError(*arg1); r_ans = R_NilValue; vmaxset(r_vmax);
18533   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_CartesianToInternal(SEXP s_arg1,SEXP s_arg2)18534 SWIGEXPORT SEXP R_swig_CartesianToInternal ( SEXP s_arg1, SEXP s_arg2) {
18535   std::vector< OpenBabel::OBInternalCoord *,std::allocator< OpenBabel::OBInternalCoord * > > *arg1 = 0 ;
18536   OpenBabel::OBMol *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0;
18537   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18538   res1 = SWIG_R_ConvertPtr(s_arg1, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBInternalCoord_p_std__allocatorT_OpenBabel__OBInternalCoord_p_t_t,  0 );
18539   if (!SWIG_IsOK(res1)) {
18540     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "CartesianToInternal" "', argument " "1"" of type '" "std::vector< OpenBabel::OBInternalCoord *,std::allocator< OpenBabel::OBInternalCoord * > > &""'");  }
18541    if (!argp1) {
18542     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "CartesianToInternal" "', argument " "1"" of type '" "std::vector< OpenBabel::OBInternalCoord *,std::allocator< OpenBabel::OBInternalCoord * > > &""'"); }
18543 
18544   arg1 = reinterpret_cast< std::vector< OpenBabel::OBInternalCoord *,std::allocator< OpenBabel::OBInternalCoord * > > * >(argp1);
18545   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
18546     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "CartesianToInternal" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
18547    if (!argp2) {
18548     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "CartesianToInternal" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
18549    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); OpenBabel::CartesianToInternal(*arg1,*arg2); r_ans = R_NilValue;
18550   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_InternalToCartesian(SEXP s_arg1,SEXP s_arg2)18551 SWIGEXPORT SEXP R_swig_InternalToCartesian ( SEXP s_arg1, SEXP s_arg2) {
18552   std::vector< OpenBabel::OBInternalCoord *,std::allocator< OpenBabel::OBInternalCoord * > > *arg1 = 0 ;
18553   OpenBabel::OBMol *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0;
18554   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18555   res1 = SWIG_R_ConvertPtr(s_arg1, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBInternalCoord_p_std__allocatorT_OpenBabel__OBInternalCoord_p_t_t,  0 );
18556   if (!SWIG_IsOK(res1)) {
18557     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "InternalToCartesian" "', argument " "1"" of type '" "std::vector< OpenBabel::OBInternalCoord *,std::allocator< OpenBabel::OBInternalCoord * > > &""'");  }
18558    if (!argp1) {
18559     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "InternalToCartesian" "', argument " "1"" of type '" "std::vector< OpenBabel::OBInternalCoord *,std::allocator< OpenBabel::OBInternalCoord * > > &""'"); }
18560 
18561   arg1 = reinterpret_cast< std::vector< OpenBabel::OBInternalCoord *,std::allocator< OpenBabel::OBInternalCoord * > > * >(argp1);
18562   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
18563     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "InternalToCartesian" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
18564    if (!argp2) {
18565     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "InternalToCartesian" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
18566    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); OpenBabel::InternalToCartesian(*arg1,*arg2); r_ans = R_NilValue;
18567   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_NewExtension(SEXP s_arg1,SEXP s_arg2,SEXP s_swig_copy)18568 SWIGEXPORT SEXP R_swig_NewExtension ( SEXP s_arg1, SEXP s_arg2, SEXP s_swig_copy) { std::string result; std::string *arg1 = 0 ;
18569   char *arg2 = (char *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
18570   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(s_arg1, &argp1, SWIGTYPE_p_std__string,  0 ); if (!SWIG_IsOK(res1)) {
18571     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "NewExtension" "', argument " "1"" of type '" "std::string &""'");  }
18572    if (!argp1) {
18573     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "NewExtension" "', argument " "1"" of type '" "std::string &""'"); }
18574    arg1 = reinterpret_cast< std::string * >(argp1); arg2 = reinterpret_cast< char * >(SWIG_strdup(CHAR(STRING_ELT(s_arg2, 0))));
18575   result = OpenBabel::NewExtension(*arg1,arg2); r_ans = SWIG_From_std_string(static_cast< std::string >(result)); free(arg2);
18576   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_etab_set(SEXP s_etab)18577 SWIGEXPORT SEXP R_swig_etab_set ( SEXP s_etab) { OpenBabel::OBElementTable *arg1 = 0 ; void *argp1 ; int res1 = 0 ;
18578   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18579   res1 = SWIG_R_ConvertPtr(s_etab, &argp1, SWIGTYPE_p_OpenBabel__OBElementTable,  0 ); if (!SWIG_IsOK(res1)) {
18580     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "etab_set" "', argument " "1"" of type '" "OpenBabel::OBElementTable const &""'");  }
18581    if (!argp1) {
18582     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "etab_set" "', argument " "1"" of type '" "OpenBabel::OBElementTable const &""'"); }
18583    arg1 = reinterpret_cast< OpenBabel::OBElementTable * >(argp1); OpenBabel::etab = *arg1; r_ans = R_NilValue; vmaxset(r_vmax);
18584   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_etab_get(SEXP s_swig_copy)18585 SWIGEXPORT SEXP R_swig_etab_get ( SEXP s_swig_copy) { OpenBabel::OBElementTable *result = 0 ; unsigned int r_nprotect = 0;
18586   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBElementTable *) &OpenBabel::etab;
18587   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBElementTable, R_SWIG_EXTERNAL |  0 );
18588   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_ttab_set(SEXP s_ttab)18589 SWIGEXPORT SEXP R_swig_ttab_set ( SEXP s_ttab) { OpenBabel::OBTypeTable *arg1 = 0 ; void *argp1 ; int res1 = 0 ;
18590   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18591   res1 = SWIG_R_ConvertPtr(s_ttab, &argp1, SWIGTYPE_p_OpenBabel__OBTypeTable,  0 ); if (!SWIG_IsOK(res1)) {
18592     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "ttab_set" "', argument " "1"" of type '" "OpenBabel::OBTypeTable const &""'");  }
18593    if (!argp1) {
18594     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "ttab_set" "', argument " "1"" of type '" "OpenBabel::OBTypeTable const &""'"); }
18595    arg1 = reinterpret_cast< OpenBabel::OBTypeTable * >(argp1); OpenBabel::ttab = *arg1; r_ans = R_NilValue; vmaxset(r_vmax);
18596   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_ttab_get(SEXP s_swig_copy)18597 SWIGEXPORT SEXP R_swig_ttab_get ( SEXP s_swig_copy) { OpenBabel::OBTypeTable *result = 0 ; unsigned int r_nprotect = 0;
18598   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBTypeTable *) &OpenBabel::ttab;
18599   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBTypeTable, R_SWIG_EXTERNAL |  0 );
18600   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_isotab_set(SEXP s_isotab)18601 SWIGEXPORT SEXP R_swig_isotab_set ( SEXP s_isotab) { OpenBabel::OBIsotopeTable *arg1 = 0 ; void *argp1 ; int res1 = 0 ;
18602   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18603   res1 = SWIG_R_ConvertPtr(s_isotab, &argp1, SWIGTYPE_p_OpenBabel__OBIsotopeTable,  0 ); if (!SWIG_IsOK(res1)) {
18604     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "isotab_set" "', argument " "1"" of type '" "OpenBabel::OBIsotopeTable const &""'");  }
18605    if (!argp1) {
18606     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "isotab_set" "', argument " "1"" of type '" "OpenBabel::OBIsotopeTable const &""'"); }
18607    arg1 = reinterpret_cast< OpenBabel::OBIsotopeTable * >(argp1); OpenBabel::isotab = *arg1; r_ans = R_NilValue;
18608   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_isotab_get(SEXP s_swig_copy)18609 SWIGEXPORT SEXP R_swig_isotab_get ( SEXP s_swig_copy) { OpenBabel::OBIsotopeTable *result = 0 ; unsigned int r_nprotect = 0;
18610   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBIsotopeTable *) &OpenBabel::isotab;
18611   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBIsotopeTable, R_SWIG_EXTERNAL |  0 );
18612   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_aromtyper_set(SEXP s_aromtyper)18613 SWIGEXPORT SEXP R_swig_aromtyper_set ( SEXP s_aromtyper) { OpenBabel::OBAromaticTyper *arg1 = 0 ; void *argp1 ; int res1 = 0 ;
18614   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18615   res1 = SWIG_R_ConvertPtr(s_aromtyper, &argp1, SWIGTYPE_p_OpenBabel__OBAromaticTyper,  0 ); if (!SWIG_IsOK(res1)) {
18616     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "aromtyper_set" "', argument " "1"" of type '" "OpenBabel::OBAromaticTyper const &""'");  }
18617    if (!argp1) {
18618     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "aromtyper_set" "', argument " "1"" of type '" "OpenBabel::OBAromaticTyper const &""'"); }
18619    arg1 = reinterpret_cast< OpenBabel::OBAromaticTyper * >(argp1); OpenBabel::aromtyper = *arg1; r_ans = R_NilValue;
18620   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_aromtyper_get(SEXP s_swig_copy)18621 SWIGEXPORT SEXP R_swig_aromtyper_get ( SEXP s_swig_copy) { OpenBabel::OBAromaticTyper *result = 0 ; unsigned int r_nprotect = 0;
18622   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBAromaticTyper *) &OpenBabel::aromtyper;
18623   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAromaticTyper, R_SWIG_EXTERNAL |  0 );
18624   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_atomtyper_set(SEXP s_atomtyper)18625 SWIGEXPORT SEXP R_swig_atomtyper_set ( SEXP s_atomtyper) { OpenBabel::OBAtomTyper *arg1 = 0 ; void *argp1 ; int res1 = 0 ;
18626   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18627   res1 = SWIG_R_ConvertPtr(s_atomtyper, &argp1, SWIGTYPE_p_OpenBabel__OBAtomTyper,  0 ); if (!SWIG_IsOK(res1)) {
18628     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "atomtyper_set" "', argument " "1"" of type '" "OpenBabel::OBAtomTyper const &""'");  }
18629    if (!argp1) {
18630     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "atomtyper_set" "', argument " "1"" of type '" "OpenBabel::OBAtomTyper const &""'"); }
18631    arg1 = reinterpret_cast< OpenBabel::OBAtomTyper * >(argp1); OpenBabel::atomtyper = *arg1; r_ans = R_NilValue;
18632   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_atomtyper_get(SEXP s_swig_copy)18633 SWIGEXPORT SEXP R_swig_atomtyper_get ( SEXP s_swig_copy) { OpenBabel::OBAtomTyper *result = 0 ; unsigned int r_nprotect = 0;
18634   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBAtomTyper *) &OpenBabel::atomtyper;
18635   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtomTyper, R_SWIG_EXTERNAL |  0 );
18636   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_chainsparser_set(SEXP s_chainsparser)18637 SWIGEXPORT SEXP R_swig_chainsparser_set ( SEXP s_chainsparser) { OpenBabel::OBChainsParser *arg1 = 0 ; void *argp1 ;
18638   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18639   res1 = SWIG_R_ConvertPtr(s_chainsparser, &argp1, SWIGTYPE_p_OpenBabel__OBChainsParser,  0 ); if (!SWIG_IsOK(res1)) {
18640     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "chainsparser_set" "', argument " "1"" of type '" "OpenBabel::OBChainsParser const &""'");  }
18641    if (!argp1) {
18642     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "chainsparser_set" "', argument " "1"" of type '" "OpenBabel::OBChainsParser const &""'"); }
18643    arg1 = reinterpret_cast< OpenBabel::OBChainsParser * >(argp1); OpenBabel::chainsparser = *arg1; r_ans = R_NilValue;
18644   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_chainsparser_get(SEXP s_swig_copy)18645 SWIGEXPORT SEXP R_swig_chainsparser_get ( SEXP s_swig_copy) { OpenBabel::OBChainsParser *result = 0 ;
18646   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18647   result = (OpenBabel::OBChainsParser *) &OpenBabel::chainsparser;
18648   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBChainsParser, R_SWIG_EXTERNAL |  0 );
18649   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_resdat_set(SEXP s_resdat)18650 SWIGEXPORT SEXP R_swig_resdat_set ( SEXP s_resdat) { OpenBabel::OBResidueData *arg1 = 0 ; void *argp1 ; int res1 = 0 ;
18651   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18652   res1 = SWIG_R_ConvertPtr(s_resdat, &argp1, SWIGTYPE_p_OpenBabel__OBResidueData,  0 ); if (!SWIG_IsOK(res1)) {
18653     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "resdat_set" "', argument " "1"" of type '" "OpenBabel::OBResidueData const &""'");  }
18654    if (!argp1) {
18655     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "resdat_set" "', argument " "1"" of type '" "OpenBabel::OBResidueData const &""'"); }
18656    arg1 = reinterpret_cast< OpenBabel::OBResidueData * >(argp1); OpenBabel::resdat = *arg1; r_ans = R_NilValue; vmaxset(r_vmax);
18657   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_resdat_get(SEXP s_swig_copy)18658 SWIGEXPORT SEXP R_swig_resdat_get ( SEXP s_swig_copy) { OpenBabel::OBResidueData *result = 0 ; unsigned int r_nprotect = 0;
18659   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBResidueData *) &OpenBabel::resdat;
18660   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBResidueData, R_SWIG_EXTERNAL |  0 );
18661   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_NoId_get(SEXP s_swig_copy)18662 SWIGEXPORT SEXP R_swig_NoId_get ( SEXP s_swig_copy) { unsigned long result; unsigned int r_nprotect = 0;
18663   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (unsigned long)(unsigned long)OpenBabel::NoId;
18664   r_ans = SWIG_From_unsigned_SS_long(static_cast< unsigned long >(result)); vmaxset(r_vmax);
18665   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_get_rmat(SEXP s_arg1,SEXP s_arg2,SEXP s_arg3,SEXP s_arg4)18666 SWIGEXPORT SEXP R_swig_get_rmat ( SEXP s_arg1, SEXP s_arg2, SEXP s_arg3, SEXP s_arg4) { double *arg1 = (double *) 0 ;
18667   double *arg2 = (double *) 0 ; double *arg3 = (double *) 0 ; int arg4 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
18668   VMAXTYPE r_vmax = vmaxget() ; { { int _rswigi; int _rswiglen = LENGTH(s_arg1);
18669       arg1 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
18670         arg1[_rswigi] = REAL(s_arg1)[_rswigi]; }  }  }  { { int _rswigi; int _rswiglen = LENGTH(s_arg2);
18671       arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
18672         arg2[_rswigi] = REAL(s_arg2)[_rswigi]; }  }  }  { { int _rswigi; int _rswiglen = LENGTH(s_arg3);
18673       arg3 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
18674         arg3[_rswigi] = REAL(s_arg3)[_rswigi]; }  }  }  arg4 = static_cast< int >(INTEGER(s_arg4)[0]);
18675   OpenBabel::get_rmat(arg1,arg2,arg3,arg4); r_ans = R_NilValue; free(arg1); free(arg2); free(arg3); vmaxset(r_vmax);
18676   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_ob_make_rmat(SEXP mat,SEXP rmat)18677 SWIGEXPORT SEXP R_swig_ob_make_rmat ( SEXP mat, SEXP rmat) { double (*arg1)[3] ; double *arg2 ; void *argp1 = 0 ; int res1 = 0 ;
18678   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18679   res1 = SWIG_R_ConvertPtr(mat, &argp1, SWIGTYPE_p_a_3__double, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18680     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "ob_make_rmat" "', argument " "1"" of type '" "double [3][3]""'");  }
18681     arg1 = reinterpret_cast< double (*)[3] >(argp1); { { int _rswigi; int _rswiglen = LENGTH(rmat);
18682       arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
18683         arg2[_rswigi] = REAL(rmat)[_rswigi]; }  }  }  OpenBabel::ob_make_rmat((double (*)[3])arg1,arg2); r_ans = R_NilValue;
18684   free(arg2); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_qtrfit(SEXP r,SEXP f,SEXP size,SEXP u)18685 SWIGEXPORT SEXP R_swig_qtrfit ( SEXP r, SEXP f, SEXP size, SEXP u) { double *arg1 = (double *) 0 ; double *arg2 = (double *) 0 ;
18686   int arg3 ; double (*arg4)[3] ; void *argp4 = 0 ; int res4 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
18687   VMAXTYPE r_vmax = vmaxget() ; { { int _rswigi; int _rswiglen = LENGTH(r);
18688       arg1 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
18689         arg1[_rswigi] = REAL(r)[_rswigi]; }  }  }  { { int _rswigi; int _rswiglen = LENGTH(f);
18690       arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
18691         arg2[_rswigi] = REAL(f)[_rswigi]; }  }  }  arg3 = static_cast< int >(INTEGER(size)[0]);
18692   res4 = SWIG_R_ConvertPtr(u, &argp4, SWIGTYPE_p_a_3__double, 0 |  0 ); if (!SWIG_IsOK(res4)) {
18693     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "qtrfit" "', argument " "4"" of type '" "double [3][3]""'");  }
18694   arg4 = reinterpret_cast< double (*)[3] >(argp4); OpenBabel::qtrfit(arg1,arg2,arg3,(double (*)[3])arg4); r_ans = R_NilValue;
18695   free(arg1); free(arg2); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_superimpose(SEXP s_arg1,SEXP s_arg2,SEXP s_arg3,SEXP s_swig_copy)18696 SWIGEXPORT SEXP R_swig_superimpose ( SEXP s_arg1, SEXP s_arg2, SEXP s_arg3, SEXP s_swig_copy) { double result;
18697   double *arg1 = (double *) 0 ; double *arg2 = (double *) 0 ; int arg3 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
18698   VMAXTYPE r_vmax = vmaxget() ; { { int _rswigi; int _rswiglen = LENGTH(s_arg1);
18699       arg1 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
18700         arg1[_rswigi] = REAL(s_arg1)[_rswigi]; }  }  }  { { int _rswigi; int _rswiglen = LENGTH(s_arg2);
18701       arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
18702         arg2[_rswigi] = REAL(s_arg2)[_rswigi]; }  }  }  arg3 = static_cast< int >(INTEGER(s_arg3)[0]);
18703   result = (double)OpenBabel::superimpose(arg1,arg2,arg3); r_ans = SWIG_From_double(static_cast< double >(result)); free(arg1);
18704   free(arg2); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRing_ring_id_set(SEXP self,SEXP s_ring_id)18705 SWIGEXPORT SEXP R_swig_OBRing_ring_id_set ( SEXP self, SEXP s_ring_id) { OpenBabel::OBRing *arg1 = (OpenBabel::OBRing *) 0 ;
18706   int arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
18707   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRing, 0 |  0 );
18708   if (!SWIG_IsOK(res1)) {
18709     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRing_ring_id_set" "', argument " "1"" of type '" "OpenBabel::OBRing *""'");  }
18710    arg1 = reinterpret_cast< OpenBabel::OBRing * >(argp1); arg2 = static_cast< int >(INTEGER(s_ring_id)[0]);
18711   if (arg1) (arg1)->ring_id = arg2; r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
18712   return r_ans; }
R_swig_OBRing_ring_id_get(SEXP self,SEXP s_swig_copy)18713 SWIGEXPORT SEXP R_swig_OBRing_ring_id_get ( SEXP self, SEXP s_swig_copy) { int result;
18714   OpenBabel::OBRing *arg1 = (OpenBabel::OBRing *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
18715   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18716   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRing, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18717     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRing_ring_id_get" "', argument " "1"" of type '" "OpenBabel::OBRing *""'");  }
18718    arg1 = reinterpret_cast< OpenBabel::OBRing * >(argp1); result = (int) ((arg1)->ring_id); r_ans = Rf_ScalarInteger(result);
18719   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRing__path_set(SEXP self,SEXP s_path)18720 SWIGEXPORT SEXP R_swig_OBRing__path_set ( SEXP self, SEXP s_path) { OpenBabel::OBRing *arg1 = (OpenBabel::OBRing *) 0 ;
18721   std::vector< int,std::allocator< int > > *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ; int res2 = SWIG_OLDOBJ ;
18722   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18723   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRing, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18724     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRing__path_set" "', argument " "1"" of type '" "OpenBabel::OBRing *""'");  }
18725    arg1 = reinterpret_cast< OpenBabel::OBRing * >(argp1); {
18726     std::vector<int,std::allocator< int > > *ptr = (std::vector<int,std::allocator< int > > *)0;
18727     res2 = swig::asptr(s_path, &ptr); if (!SWIG_IsOK(res2)) {
18728       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRing__path_set" "', argument " "2"" of type '" "std::vector< int,std::allocator< int > > const &""'"); }
18729      if (!ptr) {
18730       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRing__path_set" "', argument " "2"" of type '" "std::vector< int,std::allocator< int > > const &""'"); }
18731      arg2 = ptr; }  if (arg1) (arg1)->_path = *arg2; r_ans = R_NilValue; if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax);
18732   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRing__path_get(SEXP self,SEXP s_swig_copy)18733 SWIGEXPORT SEXP R_swig_OBRing__path_get ( SEXP self, SEXP s_swig_copy) { std::vector< int,std::allocator< int > > *result = 0 ;
18734   OpenBabel::OBRing *arg1 = (OpenBabel::OBRing *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
18735   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18736   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRing, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18737     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRing__path_get" "', argument " "1"" of type '" "OpenBabel::OBRing *""'");  }
18738    arg1 = reinterpret_cast< OpenBabel::OBRing * >(argp1);
18739   result = (std::vector< int,std::allocator< int > > *) & ((arg1)->_path);
18740   r_ans = swig::from(static_cast< std::vector<int,std::allocator< int > > >(*result)); vmaxset(r_vmax);
18741   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRing__pathset_set(SEXP self,SEXP s_pathset)18742 SWIGEXPORT SEXP R_swig_OBRing__pathset_set ( SEXP self, SEXP s_pathset) { OpenBabel::OBRing *arg1 = (OpenBabel::OBRing *) 0 ;
18743   OpenBabel::OBBitVec *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0;
18744   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18745   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRing, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18746     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRing__pathset_set" "', argument " "1"" of type '" "OpenBabel::OBRing *""'");  }
18747    arg1 = reinterpret_cast< OpenBabel::OBRing * >(argp1);
18748   res2 = SWIG_R_ConvertPtr(s_pathset, &argp2, SWIGTYPE_p_OpenBabel__OBBitVec,  0 ); if (!SWIG_IsOK(res2)) {
18749     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRing__pathset_set" "', argument " "2"" of type '" "OpenBabel::OBBitVec const &""'");  }
18750    if (!argp2) {
18751     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRing__pathset_set" "', argument " "2"" of type '" "OpenBabel::OBBitVec const &""'"); }
18752    arg2 = reinterpret_cast< OpenBabel::OBBitVec * >(argp2); if (arg1) (arg1)->_pathset = *arg2; r_ans = R_NilValue;
18753   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRing__pathset_get(SEXP self,SEXP s_swig_copy)18754 SWIGEXPORT SEXP R_swig_OBRing__pathset_get ( SEXP self, SEXP s_swig_copy) { OpenBabel::OBBitVec *result = 0 ;
18755   OpenBabel::OBRing *arg1 = (OpenBabel::OBRing *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
18756   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18757   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRing, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18758     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRing__pathset_get" "', argument " "1"" of type '" "OpenBabel::OBRing *""'");  }
18759    arg1 = reinterpret_cast< OpenBabel::OBRing * >(argp1); result = (OpenBabel::OBBitVec *) & ((arg1)->_pathset);
18760   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBitVec, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
18761   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBRing__SWIG_0()18762 SWIGEXPORT SEXP R_swig_new_OBRing__SWIG_0 ( ) { OpenBabel::OBRing *result = 0 ; unsigned int r_nprotect = 0;
18763   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBRing *)new OpenBabel::OBRing();
18764   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBRing, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
18765   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBRing__SWIG_1(SEXP path,SEXP size)18766 SWIGEXPORT SEXP R_swig_new_OBRing__SWIG_1 ( SEXP path, SEXP size) { OpenBabel::OBRing *result = 0 ;
18767   std::vector< int,std::allocator< int > > *arg1 = 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
18768   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18769   res1 = SWIG_R_ConvertPtr(path, &argp1, SWIGTYPE_p_std__vectorT_int_std__allocatorT_int_t_t,  0 ); if (!SWIG_IsOK(res1)) {
18770     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBRing" "', argument " "1"" of type '" "std::vector< int,std::allocator< int > > &""'");  }
18771    if (!argp1) {
18772     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBRing" "', argument " "1"" of type '" "std::vector< int,std::allocator< int > > &""'"); }
18773    arg1 = reinterpret_cast< std::vector< int,std::allocator< int > > * >(argp1); arg2 = static_cast< int >(INTEGER(size)[0]);
18774   result = (OpenBabel::OBRing *)new OpenBabel::OBRing(*arg1,arg2);
18775   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBRing, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
18776   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBRing__SWIG_2(SEXP path,SEXP set)18777 SWIGEXPORT SEXP R_swig_new_OBRing__SWIG_2 ( SEXP path, SEXP set) { OpenBabel::OBRing *result = 0 ;
18778   std::vector< int,std::allocator< int > > *arg1 = 0 ; OpenBabel::OBBitVec arg2 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 ;
18779   int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18780   res1 = SWIG_R_ConvertPtr(path, &argp1, SWIGTYPE_p_std__vectorT_int_std__allocatorT_int_t_t,  0 ); if (!SWIG_IsOK(res1)) {
18781     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBRing" "', argument " "1"" of type '" "std::vector< int,std::allocator< int > > &""'");  }
18782    if (!argp1) {
18783     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBRing" "', argument " "1"" of type '" "std::vector< int,std::allocator< int > > &""'"); }
18784    arg1 = reinterpret_cast< std::vector< int,std::allocator< int > > * >(argp1); {
18785     res2 = SWIG_R_ConvertPtr(set, &argp2, SWIGTYPE_p_OpenBabel__OBBitVec,  0 ); if (!SWIG_IsOK(res2)) {
18786       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_OBRing" "', argument " "2"" of type '" "OpenBabel::OBBitVec""'");  }
18787        if (!argp2) {
18788       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBRing" "', argument " "2"" of type '" "OpenBabel::OBBitVec""'"); }
18789      else { arg2 = *(reinterpret_cast< OpenBabel::OBBitVec * >(argp2)); }  }
18790   result = (OpenBabel::OBRing *)new OpenBabel::OBRing(*arg1,arg2);
18791   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBRing, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
18792   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBRing__SWIG_3(SEXP src)18793 SWIGEXPORT SEXP R_swig_new_OBRing__SWIG_3 ( SEXP src) { OpenBabel::OBRing *result = 0 ; OpenBabel::OBRing *arg1 = 0 ;
18794   void *argp1 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18795   res1 = SWIG_R_ConvertPtr(src, &argp1, SWIGTYPE_p_OpenBabel__OBRing,  0 ); if (!SWIG_IsOK(res1)) {
18796     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBRing" "', argument " "1"" of type '" "OpenBabel::OBRing const &""'");  }
18797    if (!argp1) {
18798     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBRing" "', argument " "1"" of type '" "OpenBabel::OBRing const &""'"); }
18799    arg1 = reinterpret_cast< OpenBabel::OBRing * >(argp1);
18800   result = (OpenBabel::OBRing *)new OpenBabel::OBRing((OpenBabel::OBRing const &)*arg1);
18801   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBRing, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
18802   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRing_Size(SEXP self,SEXP s_swig_copy)18803 SWIGEXPORT SEXP R_swig_OBRing_Size ( SEXP self, SEXP s_swig_copy) { size_t result;
18804   OpenBabel::OBRing *arg1 = (OpenBabel::OBRing *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
18805   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18806   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRing, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18807     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRing_Size" "', argument " "1"" of type '" "OpenBabel::OBRing const *""'");  }
18808    arg1 = reinterpret_cast< OpenBabel::OBRing * >(argp1); result = ((OpenBabel::OBRing const *)arg1)->Size();
18809   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRing_PathSize(SEXP self,SEXP s_swig_copy)18810 SWIGEXPORT SEXP R_swig_OBRing_PathSize ( SEXP self, SEXP s_swig_copy) { size_t result;
18811   OpenBabel::OBRing *arg1 = (OpenBabel::OBRing *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
18812   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18813   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRing, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18814     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRing_PathSize" "', argument " "1"" of type '" "OpenBabel::OBRing const *""'");  }
18815    arg1 = reinterpret_cast< OpenBabel::OBRing * >(argp1); result = ((OpenBabel::OBRing const *)arg1)->PathSize();
18816   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRing_IsAromatic(SEXP self,SEXP s_swig_copy)18817 SWIGEXPORT SEXP R_swig_OBRing_IsAromatic ( SEXP self, SEXP s_swig_copy) { bool result;
18818   OpenBabel::OBRing *arg1 = (OpenBabel::OBRing *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
18819   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18820   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRing, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18821     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRing_IsAromatic" "', argument " "1"" of type '" "OpenBabel::OBRing *""'");  }
18822    arg1 = reinterpret_cast< OpenBabel::OBRing * >(argp1); result = (bool)(arg1)->IsAromatic(); r_ans = Rf_ScalarLogical(result);
18823   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRing_SetType__SWIG_0(SEXP self,SEXP type)18824 SWIGEXPORT SEXP R_swig_OBRing_SetType__SWIG_0 ( SEXP self, SEXP type) { OpenBabel::OBRing *arg1 = (OpenBabel::OBRing *) 0 ;
18825   char *arg2 = (char *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
18826   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRing, 0 |  0 );
18827   if (!SWIG_IsOK(res1)) {
18828     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRing_SetType" "', argument " "1"" of type '" "OpenBabel::OBRing *""'");  }
18829    arg1 = reinterpret_cast< OpenBabel::OBRing * >(argp1);
18830   arg2 = reinterpret_cast< char * >(SWIG_strdup(CHAR(STRING_ELT(type, 0)))); (arg1)->SetType(arg2); r_ans = R_NilValue;
18831   free(arg2); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRing_SetType__SWIG_1(SEXP self,SEXP type)18832 SWIGEXPORT SEXP R_swig_OBRing_SetType__SWIG_1 ( SEXP self, SEXP type) { OpenBabel::OBRing *arg1 = (OpenBabel::OBRing *) 0 ;
18833   std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0;
18834   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18835   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRing, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18836     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRing_SetType" "', argument " "1"" of type '" "OpenBabel::OBRing *""'");  }
18837    arg1 = reinterpret_cast< OpenBabel::OBRing * >(argp1); res2 = SWIG_R_ConvertPtr(type, &argp2, SWIGTYPE_p_std__string,  0 );
18838   if (!SWIG_IsOK(res2)) {
18839     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRing_SetType" "', argument " "2"" of type '" "std::string &""'");  }
18840    if (!argp2) {
18841     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRing_SetType" "', argument " "2"" of type '" "std::string &""'"); }
18842    arg2 = reinterpret_cast< std::string * >(argp2); (arg1)->SetType(*arg2); r_ans = R_NilValue; vmaxset(r_vmax);
18843   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRing_GetType(SEXP self)18844 SWIGEXPORT SEXP R_swig_OBRing_GetType ( SEXP self) { char *result = 0 ; OpenBabel::OBRing *arg1 = (OpenBabel::OBRing *) 0 ;
18845   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18846   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRing, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18847     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRing_GetType" "', argument " "1"" of type '" "OpenBabel::OBRing *""'");  }
18848    arg1 = reinterpret_cast< OpenBabel::OBRing * >(argp1); result = (char *)(arg1)->GetType();
18849   r_ans = result ? Rf_mkString(reinterpret_cast< char * >(result)) : R_NilValue; vmaxset(r_vmax);
18850   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRing_GetRootAtom(SEXP self,SEXP s_swig_copy)18851 SWIGEXPORT SEXP R_swig_OBRing_GetRootAtom ( SEXP self, SEXP s_swig_copy) { unsigned int result;
18852   OpenBabel::OBRing *arg1 = (OpenBabel::OBRing *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
18853   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18854   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRing, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18855     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRing_GetRootAtom" "', argument " "1"" of type '" "OpenBabel::OBRing *""'");  }
18856    arg1 = reinterpret_cast< OpenBabel::OBRing * >(argp1); result = (unsigned int)(arg1)->GetRootAtom();
18857   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRing_IsMember__SWIG_0(SEXP self,SEXP a,SEXP s_swig_copy)18858 SWIGEXPORT SEXP R_swig_OBRing_IsMember__SWIG_0 ( SEXP self, SEXP a, SEXP s_swig_copy) { bool result;
18859   OpenBabel::OBRing *arg1 = (OpenBabel::OBRing *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ;
18860   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
18861   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRing, 0 |  0 );
18862   if (!SWIG_IsOK(res1)) {
18863     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRing_IsMember" "', argument " "1"" of type '" "OpenBabel::OBRing *""'");  }
18864    arg1 = reinterpret_cast< OpenBabel::OBRing * >(argp1);
18865   res2 = SWIG_R_ConvertPtr(a, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
18866     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRing_IsMember" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
18867    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (bool)(arg1)->IsMember(arg2);
18868   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRing_IsMember__SWIG_1(SEXP self,SEXP b,SEXP s_swig_copy)18869 SWIGEXPORT SEXP R_swig_OBRing_IsMember__SWIG_1 ( SEXP self, SEXP b, SEXP s_swig_copy) { bool result;
18870   OpenBabel::OBRing *arg1 = (OpenBabel::OBRing *) 0 ; OpenBabel::OBBond *arg2 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ;
18871   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
18872   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRing, 0 |  0 );
18873   if (!SWIG_IsOK(res1)) {
18874     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRing_IsMember" "', argument " "1"" of type '" "OpenBabel::OBRing *""'");  }
18875    arg1 = reinterpret_cast< OpenBabel::OBRing * >(argp1);
18876   res2 = SWIG_R_ConvertPtr(b, &argp2, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res2)) {
18877     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRing_IsMember" "', argument " "2"" of type '" "OpenBabel::OBBond *""'");  }
18878    arg2 = reinterpret_cast< OpenBabel::OBBond * >(argp2); result = (bool)(arg1)->IsMember(arg2);
18879   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRing_IsInRing(SEXP self,SEXP i,SEXP s_swig_copy)18880 SWIGEXPORT SEXP R_swig_OBRing_IsInRing ( SEXP self, SEXP i, SEXP s_swig_copy) { bool result;
18881   OpenBabel::OBRing *arg1 = (OpenBabel::OBRing *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
18882   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18883   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRing, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18884     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRing_IsInRing" "', argument " "1"" of type '" "OpenBabel::OBRing *""'");  }
18885    arg1 = reinterpret_cast< OpenBabel::OBRing * >(argp1); arg2 = static_cast< int >(INTEGER(i)[0]);
18886   result = (bool)(arg1)->IsInRing(arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
18887   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRing_SetParent(SEXP self,SEXP m)18888 SWIGEXPORT SEXP R_swig_OBRing_SetParent ( SEXP self, SEXP m) { OpenBabel::OBRing *arg1 = (OpenBabel::OBRing *) 0 ;
18889   OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
18890   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18891   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRing, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18892     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRing_SetParent" "', argument " "1"" of type '" "OpenBabel::OBRing *""'");  }
18893    arg1 = reinterpret_cast< OpenBabel::OBRing * >(argp1);
18894   res2 = SWIG_R_ConvertPtr(m, &argp2, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res2)) {
18895     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRing_SetParent" "', argument " "2"" of type '" "OpenBabel::OBMol *""'");  }
18896    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); (arg1)->SetParent(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
18897   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRing_GetParent(SEXP self)18898 SWIGEXPORT SEXP R_swig_OBRing_GetParent ( SEXP self) { OpenBabel::OBMol *result = 0 ;
18899   OpenBabel::OBRing *arg1 = (OpenBabel::OBRing *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
18900   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18901   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRing, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18902     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRing_GetParent" "', argument " "1"" of type '" "OpenBabel::OBRing *""'");  }
18903    arg1 = reinterpret_cast< OpenBabel::OBRing * >(argp1); result = (OpenBabel::OBMol *)(arg1)->GetParent();
18904   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMol, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
18905   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRing_findCenterAndNormal(SEXP self,SEXP center,SEXP norm1,SEXP norm2,SEXP s_swig_copy)18906 SWIGEXPORT SEXP R_swig_OBRing_findCenterAndNormal ( SEXP self, SEXP center, SEXP norm1, SEXP norm2, SEXP s_swig_copy) {
18907   bool result; OpenBabel::OBRing *arg1 = (OpenBabel::OBRing *) 0 ; OpenBabel::vector3 *arg2 = 0 ; OpenBabel::vector3 *arg3 = 0 ;
18908   OpenBabel::vector3 *arg4 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ;
18909   int res3 = 0 ; void *argp4 = 0 ; int res4 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
18910   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRing, 0 |  0 );
18911   if (!SWIG_IsOK(res1)) {
18912     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRing_findCenterAndNormal" "', argument " "1"" of type '" "OpenBabel::OBRing *""'");  }
18913    arg1 = reinterpret_cast< OpenBabel::OBRing * >(argp1);
18914   res2 = SWIG_R_ConvertPtr(center, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
18915     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRing_findCenterAndNormal" "', argument " "2"" of type '" "OpenBabel::vector3 &""'");  }
18916    if (!argp2) {
18917     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRing_findCenterAndNormal" "', argument " "2"" of type '" "OpenBabel::vector3 &""'"); }
18918    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2);
18919   res3 = SWIG_R_ConvertPtr(norm1, &argp3, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res3)) {
18920     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBRing_findCenterAndNormal" "', argument " "3"" of type '" "OpenBabel::vector3 &""'");  }
18921    if (!argp3) {
18922     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRing_findCenterAndNormal" "', argument " "3"" of type '" "OpenBabel::vector3 &""'"); }
18923    arg3 = reinterpret_cast< OpenBabel::vector3 * >(argp3);
18924   res4 = SWIG_R_ConvertPtr(norm2, &argp4, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res4)) {
18925     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "OBRing_findCenterAndNormal" "', argument " "4"" of type '" "OpenBabel::vector3 &""'");  }
18926    if (!argp4) {
18927     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRing_findCenterAndNormal" "', argument " "4"" of type '" "OpenBabel::vector3 &""'"); }
18928    arg4 = reinterpret_cast< OpenBabel::vector3 * >(argp4); result = (bool)(arg1)->findCenterAndNormal(*arg2,*arg3,*arg4);
18929   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBRing(SEXP self)18930 SWIGEXPORT SEXP R_swig_delete_OBRing ( SEXP self) { OpenBabel::OBRing *arg1 = (OpenBabel::OBRing *) 0 ; void *argp1 = 0 ;
18931   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18932   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRing, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
18933     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBRing" "', argument " "1"" of type '" "OpenBabel::OBRing *""'");  }
18934    arg1 = reinterpret_cast< OpenBabel::OBRing * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
18935   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_CompareRingSize(SEXP s_arg1,SEXP s_arg2,SEXP s_swig_copy)18936 SWIGEXPORT SEXP R_swig_CompareRingSize ( SEXP s_arg1, SEXP s_arg2, SEXP s_swig_copy) { bool result;
18937   OpenBabel::OBRing *arg1 = (OpenBabel::OBRing *) 0 ; OpenBabel::OBRing *arg2 = (OpenBabel::OBRing *) 0 ; void *argp1 = 0 ;
18938   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
18939   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(s_arg1, &argp1, SWIGTYPE_p_OpenBabel__OBRing, 0 |  0 );
18940   if (!SWIG_IsOK(res1)) {
18941     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "CompareRingSize" "', argument " "1"" of type '" "OpenBabel::OBRing const *""'");  }
18942    arg1 = reinterpret_cast< OpenBabel::OBRing * >(argp1);
18943   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBRing, 0 |  0 ); if (!SWIG_IsOK(res2)) {
18944     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "CompareRingSize" "', argument " "2"" of type '" "OpenBabel::OBRing const *""'");  }
18945    arg2 = reinterpret_cast< OpenBabel::OBRing * >(argp2);
18946   result = (bool)OpenBabel::CompareRingSize((OpenBabel::OBRing const *)arg1,(OpenBabel::OBRing const *)arg2);
18947   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBRingSearch()18948 SWIGEXPORT SEXP R_swig_new_OBRingSearch ( ) { OpenBabel::OBRingSearch *result = 0 ; unsigned int r_nprotect = 0;
18949   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBRingSearch *)new OpenBabel::OBRingSearch();
18950   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBRingSearch, R_SWIG_OWNER |  0 );
18951   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBRingSearch(SEXP self)18952 SWIGEXPORT SEXP R_swig_delete_OBRingSearch ( SEXP self) { OpenBabel::OBRingSearch *arg1 = (OpenBabel::OBRingSearch *) 0 ;
18953   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18954   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRingSearch, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
18955     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBRingSearch" "', argument " "1"" of type '" "OpenBabel::OBRingSearch *""'");  }
18956    arg1 = reinterpret_cast< OpenBabel::OBRingSearch * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
18957   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBRingSearch_SortRings(SEXP self)18958 SWIGEXPORT SEXP R_swig_OBRingSearch_SortRings ( SEXP self) { OpenBabel::OBRingSearch *arg1 = (OpenBabel::OBRingSearch *) 0 ;
18959   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18960   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRingSearch, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18961     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRingSearch_SortRings" "', argument " "1"" of type '" "OpenBabel::OBRingSearch *""'");  }
18962    arg1 = reinterpret_cast< OpenBabel::OBRingSearch * >(argp1); (arg1)->SortRings(); r_ans = R_NilValue; vmaxset(r_vmax);
18963   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRingSearch_RemoveRedundant(SEXP self,SEXP s_arg2)18964 SWIGEXPORT SEXP R_swig_OBRingSearch_RemoveRedundant ( SEXP self, SEXP s_arg2) {
18965   OpenBabel::OBRingSearch *arg1 = (OpenBabel::OBRingSearch *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
18966   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18967   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRingSearch, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18968     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRingSearch_RemoveRedundant" "', argument " "1"" of type '" "OpenBabel::OBRingSearch *""'");  }
18969    arg1 = reinterpret_cast< OpenBabel::OBRingSearch * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
18970   (arg1)->RemoveRedundant(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRingSearch_AddRingFromClosure(SEXP self,SEXP s_arg2,SEXP s_arg3)18971 SWIGEXPORT SEXP R_swig_OBRingSearch_AddRingFromClosure ( SEXP self, SEXP s_arg2, SEXP s_arg3) {
18972   OpenBabel::OBRingSearch *arg1 = (OpenBabel::OBRingSearch *) 0 ; OpenBabel::OBMol *arg2 = 0 ;
18973   OpenBabel::OBBond *arg3 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
18974   void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18975   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRingSearch, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18976     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRingSearch_AddRingFromClosure" "', argument " "1"" of type '" "OpenBabel::OBRingSearch *""'");  }
18977    arg1 = reinterpret_cast< OpenBabel::OBRingSearch * >(argp1);
18978   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
18979     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRingSearch_AddRingFromClosure" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
18980    if (!argp2) {
18981     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRingSearch_AddRingFromClosure" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
18982    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2);
18983   res3 = SWIG_R_ConvertPtr(s_arg3, &argp3, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res3)) {
18984     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBRingSearch_AddRingFromClosure" "', argument " "3"" of type '" "OpenBabel::OBBond *""'");  }
18985    arg3 = reinterpret_cast< OpenBabel::OBBond * >(argp3); (arg1)->AddRingFromClosure(*arg2,arg3); r_ans = R_NilValue;
18986   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRingSearch_SaveUniqueRing(SEXP self,SEXP s_arg2,SEXP s_arg3,SEXP s_swig_copy)18987 SWIGEXPORT SEXP R_swig_OBRingSearch_SaveUniqueRing ( SEXP self, SEXP s_arg2, SEXP s_arg3, SEXP s_swig_copy) { bool result;
18988   OpenBabel::OBRingSearch *arg1 = (OpenBabel::OBRingSearch *) 0 ; std::deque< int > *arg2 = 0 ; std::deque< int > *arg3 = 0 ;
18989   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ;
18990   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
18991   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRingSearch, 0 |  0 ); if (!SWIG_IsOK(res1)) {
18992     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRingSearch_SaveUniqueRing" "', argument " "1"" of type '" "OpenBabel::OBRingSearch *""'");  }
18993    arg1 = reinterpret_cast< OpenBabel::OBRingSearch * >(argp1);
18994   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_std__dequeT_int_t,  0 ); if (!SWIG_IsOK(res2)) {
18995     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRingSearch_SaveUniqueRing" "', argument " "2"" of type '" "std::deque< int > &""'");  }
18996    if (!argp2) {
18997     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRingSearch_SaveUniqueRing" "', argument " "2"" of type '" "std::deque< int > &""'"); }
18998    arg2 = reinterpret_cast< std::deque< int > * >(argp2);
18999   res3 = SWIG_R_ConvertPtr(s_arg3, &argp3, SWIGTYPE_p_std__dequeT_int_t,  0 ); if (!SWIG_IsOK(res3)) {
19000     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBRingSearch_SaveUniqueRing" "', argument " "3"" of type '" "std::deque< int > &""'");  }
19001    if (!argp3) {
19002     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRingSearch_SaveUniqueRing" "', argument " "3"" of type '" "std::deque< int > &""'"); }
19003    arg3 = reinterpret_cast< std::deque< int > * >(argp3); result = (bool)(arg1)->SaveUniqueRing(*arg2,*arg3);
19004   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRingSearch_WriteRings(SEXP self)19005 SWIGEXPORT SEXP R_swig_OBRingSearch_WriteRings ( SEXP self) { OpenBabel::OBRingSearch *arg1 = (OpenBabel::OBRingSearch *) 0 ;
19006   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19007   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRingSearch, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19008     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRingSearch_WriteRings" "', argument " "1"" of type '" "OpenBabel::OBRingSearch *""'");  }
19009    arg1 = reinterpret_cast< OpenBabel::OBRingSearch * >(argp1); (arg1)->WriteRings(); r_ans = R_NilValue; vmaxset(r_vmax);
19010   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRingSearch_BeginRings(SEXP self,SEXP s_swig_copy)19011 SWIGEXPORT SEXP R_swig_OBRingSearch_BeginRings ( SEXP self, SEXP s_swig_copy) {
19012   SwigValueWrapper< std::vector< OpenBabel::OBRing *,std::allocator< OpenBabel::OBRing * > >::iterator > result;
19013   OpenBabel::OBRingSearch *arg1 = (OpenBabel::OBRingSearch *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
19014   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19015   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRingSearch, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19016     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRingSearch_BeginRings" "', argument " "1"" of type '" "OpenBabel::OBRingSearch *""'");  }
19017    arg1 = reinterpret_cast< OpenBabel::OBRingSearch * >(argp1); result = (arg1)->BeginRings();
19018   r_ans = SWIG_R_NewPointerObj((new std::vector< OpenBabel::OBRing *,std::allocator< OpenBabel::OBRing * > >::iterator(static_cast< const std::vector< OpenBabel::OBRing *,std::allocator< OpenBabel::OBRing * > >::iterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBRing_p_std__allocatorT_OpenBabel__OBRing_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
19019   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRingSearch_EndRings(SEXP self,SEXP s_swig_copy)19020 SWIGEXPORT SEXP R_swig_OBRingSearch_EndRings ( SEXP self, SEXP s_swig_copy) {
19021   SwigValueWrapper< std::vector< OpenBabel::OBRing *,std::allocator< OpenBabel::OBRing * > >::iterator > result;
19022   OpenBabel::OBRingSearch *arg1 = (OpenBabel::OBRingSearch *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
19023   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19024   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRingSearch, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19025     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRingSearch_EndRings" "', argument " "1"" of type '" "OpenBabel::OBRingSearch *""'");  }
19026    arg1 = reinterpret_cast< OpenBabel::OBRingSearch * >(argp1); result = (arg1)->EndRings();
19027   r_ans = SWIG_R_NewPointerObj((new std::vector< OpenBabel::OBRing *,std::allocator< OpenBabel::OBRing * > >::iterator(static_cast< const std::vector< OpenBabel::OBRing *,std::allocator< OpenBabel::OBRing * > >::iterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBRing_p_std__allocatorT_OpenBabel__OBRing_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
19028   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBRTree(SEXP s_arg1,SEXP s_arg2)19029 SWIGEXPORT SEXP R_swig_new_OBRTree ( SEXP s_arg1, SEXP s_arg2) { OpenBabel::OBRTree *result = 0 ;
19030   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; OpenBabel::OBRTree *arg2 = (OpenBabel::OBRTree *) 0 ; void *argp1 = 0 ;
19031   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
19032   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(s_arg1, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
19033   if (!SWIG_IsOK(res1)) {
19034     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBRTree" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
19035    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1);
19036   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBRTree, 0 |  0 ); if (!SWIG_IsOK(res2)) {
19037     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_OBRTree" "', argument " "2"" of type '" "OpenBabel::OBRTree *""'");  }
19038    arg2 = reinterpret_cast< OpenBabel::OBRTree * >(argp2); result = (OpenBabel::OBRTree *)new OpenBabel::OBRTree(arg1,arg2);
19039   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBRTree, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
19040   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBRTree(SEXP self)19041 SWIGEXPORT SEXP R_swig_delete_OBRTree ( SEXP self) { OpenBabel::OBRTree *arg1 = (OpenBabel::OBRTree *) 0 ; void *argp1 = 0 ;
19042   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19043   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRTree, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
19044     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBRTree" "', argument " "1"" of type '" "OpenBabel::OBRTree *""'");  }
19045    arg1 = reinterpret_cast< OpenBabel::OBRTree * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
19046   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBRTree_GetAtomIdx(SEXP self,SEXP s_swig_copy)19047 SWIGEXPORT SEXP R_swig_OBRTree_GetAtomIdx ( SEXP self, SEXP s_swig_copy) { int result;
19048   OpenBabel::OBRTree *arg1 = (OpenBabel::OBRTree *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
19049   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19050   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRTree, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19051     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRTree_GetAtomIdx" "', argument " "1"" of type '" "OpenBabel::OBRTree *""'");  }
19052    arg1 = reinterpret_cast< OpenBabel::OBRTree * >(argp1); result = (int)(arg1)->GetAtomIdx(); r_ans = Rf_ScalarInteger(result);
19053   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRTree_PathToRoot(SEXP self,SEXP s_arg2)19054 SWIGEXPORT SEXP R_swig_OBRTree_PathToRoot ( SEXP self, SEXP s_arg2) { OpenBabel::OBRTree *arg1 = (OpenBabel::OBRTree *) 0 ;
19055   std::vector< OpenBabel::OBAtom *,std::allocator< OpenBabel::OBAtom * > > *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
19056   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19057   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRTree, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19058     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRTree_PathToRoot" "', argument " "1"" of type '" "OpenBabel::OBRTree *""'");  }
19059    arg1 = reinterpret_cast< OpenBabel::OBRTree * >(argp1);
19060   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBAtom_p_std__allocatorT_OpenBabel__OBAtom_p_t_t,  0 );
19061   if (!SWIG_IsOK(res2)) {
19062     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRTree_PathToRoot" "', argument " "2"" of type '" "std::vector< OpenBabel::OBAtom *,std::allocator< OpenBabel::OBAtom * > > &""'");  }
19063    if (!argp2) {
19064     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRTree_PathToRoot" "', argument " "2"" of type '" "std::vector< OpenBabel::OBAtom *,std::allocator< OpenBabel::OBAtom * > > &""'"); }
19065    arg2 = reinterpret_cast< std::vector< OpenBabel::OBAtom *,std::allocator< OpenBabel::OBAtom * > > * >(argp2);
19066   (arg1)->PathToRoot(*arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBSmartsPattern__SWIG_0()19067 SWIGEXPORT SEXP R_swig_new_OBSmartsPattern__SWIG_0 ( ) { OpenBabel::OBSmartsPattern *result = 0 ; unsigned int r_nprotect = 0;
19068   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19069   result = (OpenBabel::OBSmartsPattern *)new OpenBabel::OBSmartsPattern();
19070   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBSmartsPattern, R_SWIG_OWNER |  0 );
19071   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBSmartsPattern(SEXP self)19072 SWIGEXPORT SEXP R_swig_delete_OBSmartsPattern ( SEXP self) {
19073   OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
19074   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19075   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSmartsPattern, SWIG_POINTER_DISOWN |  0 );
19076   if (!SWIG_IsOK(res1)) {
19077     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBSmartsPattern" "', argument " "1"" of type '" "OpenBabel::OBSmartsPattern *""'");  }
19078    arg1 = reinterpret_cast< OpenBabel::OBSmartsPattern * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
19079   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_new_OBSmartsPattern__SWIG_1(SEXP cp)19080 SWIGEXPORT SEXP R_swig_new_OBSmartsPattern__SWIG_1 ( SEXP cp) { OpenBabel::OBSmartsPattern *result = 0 ;
19081   OpenBabel::OBSmartsPattern *arg1 = 0 ; void *argp1 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
19082   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(cp, &argp1, SWIGTYPE_p_OpenBabel__OBSmartsPattern,  0 );
19083   if (!SWIG_IsOK(res1)) {
19084     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBSmartsPattern" "', argument " "1"" of type '" "OpenBabel::OBSmartsPattern const &""'");  }
19085    if (!argp1) {
19086     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBSmartsPattern" "', argument " "1"" of type '" "OpenBabel::OBSmartsPattern const &""'"); }
19087    arg1 = reinterpret_cast< OpenBabel::OBSmartsPattern * >(argp1);
19088   result = (OpenBabel::OBSmartsPattern *)new OpenBabel::OBSmartsPattern((OpenBabel::OBSmartsPattern const &)*arg1);
19089   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBSmartsPattern, R_SWIG_OWNER |  0 );
19090   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSmartsPattern_Init__SWIG_0(SEXP self,SEXP pattern,SEXP s_swig_copy)19091 SWIGEXPORT SEXP R_swig_OBSmartsPattern_Init__SWIG_0 ( SEXP self, SEXP pattern, SEXP s_swig_copy) { bool result;
19092   OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; char *arg2 = (char *) 0 ; void *argp1 = 0 ;
19093   int res1 = 0 ; int res2 ; char *buf2 = 0 ; int alloc2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
19094   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSmartsPattern, 0 |  0 );
19095   if (!SWIG_IsOK(res1)) {
19096     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSmartsPattern_Init" "', argument " "1"" of type '" "OpenBabel::OBSmartsPattern *""'");  }
19097    arg1 = reinterpret_cast< OpenBabel::OBSmartsPattern * >(argp1); res2 = SWIG_AsCharPtrAndSize(pattern, &buf2, NULL, &alloc2);
19098   if (!SWIG_IsOK(res2)) {
19099     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBSmartsPattern_Init" "', argument " "2"" of type '" "char const *""'"); }
19100    arg2 = reinterpret_cast< char * >(buf2); result = (bool)(arg1)->Init((char const *)arg2); r_ans = Rf_ScalarLogical(result);
19101   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSmartsPattern_Init__SWIG_1(SEXP self,SEXP pattern,SEXP s_swig_copy)19102 SWIGEXPORT SEXP R_swig_OBSmartsPattern_Init__SWIG_1 ( SEXP self, SEXP pattern, SEXP s_swig_copy) { bool result;
19103   OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
19104   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19105   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSmartsPattern, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19106     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSmartsPattern_Init" "', argument " "1"" of type '" "OpenBabel::OBSmartsPattern *""'");  }
19107    arg1 = reinterpret_cast< OpenBabel::OBSmartsPattern * >(argp1); { std::string *ptr = (std::string *)0;
19108     res2 = SWIG_AsPtr_std_string(pattern, &ptr); if (!SWIG_IsOK(res2)) {
19109       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBSmartsPattern_Init" "', argument " "2"" of type '" "std::string const &""'"); }
19110      if (!ptr) {
19111       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBSmartsPattern_Init" "', argument " "2"" of type '" "std::string const &""'"); }
19112      arg2 = ptr; }  result = (bool)(arg1)->Init((std::string const &)*arg2); r_ans = Rf_ScalarLogical(result);
19113   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSmartsPattern_GetSMARTS(SEXP self,SEXP s_swig_copy)19114 SWIGEXPORT SEXP R_swig_OBSmartsPattern_GetSMARTS ( SEXP self, SEXP s_swig_copy) { std::string *result = 0 ;
19115   OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
19116   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19117   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSmartsPattern, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19118     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSmartsPattern_GetSMARTS" "', argument " "1"" of type '" "OpenBabel::OBSmartsPattern const *""'");  }
19119    arg1 = reinterpret_cast< OpenBabel::OBSmartsPattern * >(argp1);
19120   result = (std::string *) &((OpenBabel::OBSmartsPattern const *)arg1)->GetSMARTS();
19121   r_ans = SWIG_From_std_string(static_cast< std::string >(*result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
19122   return r_ans; }
R_swig_OBSmartsPattern_Empty(SEXP self,SEXP s_swig_copy)19123 SWIGEXPORT SEXP R_swig_OBSmartsPattern_Empty ( SEXP self, SEXP s_swig_copy) { bool result;
19124   OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
19125   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19126   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSmartsPattern, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19127     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSmartsPattern_Empty" "', argument " "1"" of type '" "OpenBabel::OBSmartsPattern const *""'");  }
19128    arg1 = reinterpret_cast< OpenBabel::OBSmartsPattern * >(argp1);
19129   result = (bool)((OpenBabel::OBSmartsPattern const *)arg1)->Empty(); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
19130   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSmartsPattern_IsValid(SEXP self,SEXP s_swig_copy)19131 SWIGEXPORT SEXP R_swig_OBSmartsPattern_IsValid ( SEXP self, SEXP s_swig_copy) { bool result;
19132   OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
19133   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19134   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSmartsPattern, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19135     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSmartsPattern_IsValid" "', argument " "1"" of type '" "OpenBabel::OBSmartsPattern const *""'");  }
19136    arg1 = reinterpret_cast< OpenBabel::OBSmartsPattern * >(argp1);
19137   result = (bool)((OpenBabel::OBSmartsPattern const *)arg1)->IsValid(); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
19138   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSmartsPattern_NumAtoms(SEXP self,SEXP s_swig_copy)19139 SWIGEXPORT SEXP R_swig_OBSmartsPattern_NumAtoms ( SEXP self, SEXP s_swig_copy) { unsigned int result;
19140   OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
19141   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19142   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSmartsPattern, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19143     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSmartsPattern_NumAtoms" "', argument " "1"" of type '" "OpenBabel::OBSmartsPattern const *""'");  }
19144    arg1 = reinterpret_cast< OpenBabel::OBSmartsPattern * >(argp1);
19145   result = (unsigned int)((OpenBabel::OBSmartsPattern const *)arg1)->NumAtoms();
19146   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSmartsPattern_NumBonds(SEXP self,SEXP s_swig_copy)19147 SWIGEXPORT SEXP R_swig_OBSmartsPattern_NumBonds ( SEXP self, SEXP s_swig_copy) { unsigned int result;
19148   OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
19149   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19150   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSmartsPattern, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19151     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSmartsPattern_NumBonds" "', argument " "1"" of type '" "OpenBabel::OBSmartsPattern const *""'");  }
19152    arg1 = reinterpret_cast< OpenBabel::OBSmartsPattern * >(argp1);
19153   result = (unsigned int)((OpenBabel::OBSmartsPattern const *)arg1)->NumBonds();
19154   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSmartsPattern_GetBond(SEXP self,SEXP src,SEXP dst,SEXP ord,SEXP idx)19155 SWIGEXPORT SEXP R_swig_OBSmartsPattern_GetBond ( SEXP self, SEXP src, SEXP dst, SEXP ord, SEXP idx) {
19156   OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; int *arg2 = 0 ; int *arg3 = 0 ; int *arg4 = 0 ;
19157   int arg5 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ;
19158   void *argp4 = 0 ; int res4 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19159   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSmartsPattern, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19160     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSmartsPattern_GetBond" "', argument " "1"" of type '" "OpenBabel::OBSmartsPattern *""'");  }
19161    arg1 = reinterpret_cast< OpenBabel::OBSmartsPattern * >(argp1); res2 = SWIG_R_ConvertPtr(src, &argp2, SWIGTYPE_p_int,  0 );
19162   if (!SWIG_IsOK(res2)) {
19163     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBSmartsPattern_GetBond" "', argument " "2"" of type '" "int &""'");  }
19164    if (!argp2) {
19165     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBSmartsPattern_GetBond" "', argument " "2"" of type '" "int &""'"); }
19166    arg2 = reinterpret_cast< int * >(argp2); res3 = SWIG_R_ConvertPtr(dst, &argp3, SWIGTYPE_p_int,  0 ); if (!SWIG_IsOK(res3)) {
19167     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBSmartsPattern_GetBond" "', argument " "3"" of type '" "int &""'");  }
19168    if (!argp3) {
19169     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBSmartsPattern_GetBond" "', argument " "3"" of type '" "int &""'"); }
19170    arg3 = reinterpret_cast< int * >(argp3); res4 = SWIG_R_ConvertPtr(ord, &argp4, SWIGTYPE_p_int,  0 ); if (!SWIG_IsOK(res4)) {
19171     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "OBSmartsPattern_GetBond" "', argument " "4"" of type '" "int &""'");  }
19172    if (!argp4) {
19173     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBSmartsPattern_GetBond" "', argument " "4"" of type '" "int &""'"); }
19174    arg4 = reinterpret_cast< int * >(argp4); arg5 = static_cast< int >(INTEGER(idx)[0]); (arg1)->GetBond(*arg2,*arg3,*arg4,arg5);
19175   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSmartsPattern_GetAtomicNum(SEXP self,SEXP idx,SEXP s_swig_copy)19176 SWIGEXPORT SEXP R_swig_OBSmartsPattern_GetAtomicNum ( SEXP self, SEXP idx, SEXP s_swig_copy) { int result;
19177   OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
19178   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19179   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSmartsPattern, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19180     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSmartsPattern_GetAtomicNum" "', argument " "1"" of type '" "OpenBabel::OBSmartsPattern *""'");  }
19181    arg1 = reinterpret_cast< OpenBabel::OBSmartsPattern * >(argp1); arg2 = static_cast< int >(INTEGER(idx)[0]);
19182   result = (int)(arg1)->GetAtomicNum(arg2); r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax);
19183   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSmartsPattern_GetCharge(SEXP self,SEXP idx,SEXP s_swig_copy)19184 SWIGEXPORT SEXP R_swig_OBSmartsPattern_GetCharge ( SEXP self, SEXP idx, SEXP s_swig_copy) { int result;
19185   OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
19186   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19187   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSmartsPattern, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19188     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSmartsPattern_GetCharge" "', argument " "1"" of type '" "OpenBabel::OBSmartsPattern *""'");  }
19189    arg1 = reinterpret_cast< OpenBabel::OBSmartsPattern * >(argp1); arg2 = static_cast< int >(INTEGER(idx)[0]);
19190   result = (int)(arg1)->GetCharge(arg2); r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax);
19191   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSmartsPattern_GetVectorBinding(SEXP self,SEXP idx,SEXP s_swig_copy)19192 SWIGEXPORT SEXP R_swig_OBSmartsPattern_GetVectorBinding ( SEXP self, SEXP idx, SEXP s_swig_copy) { int result;
19193   OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
19194   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19195   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSmartsPattern, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19196     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSmartsPattern_GetVectorBinding" "', argument " "1"" of type '" "OpenBabel::OBSmartsPattern const *""'");  }
19197    arg1 = reinterpret_cast< OpenBabel::OBSmartsPattern * >(argp1); arg2 = static_cast< int >(INTEGER(idx)[0]);
19198   result = (int)((OpenBabel::OBSmartsPattern const *)arg1)->GetVectorBinding(arg2); r_ans = Rf_ScalarInteger(result);
19199   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSmartsPattern_Match__SWIG_0(SEXP self,SEXP mol,SEXP single,SEXP s_swig_copy)19200 SWIGEXPORT SEXP R_swig_OBSmartsPattern_Match__SWIG_0 ( SEXP self, SEXP mol, SEXP single, SEXP s_swig_copy) { bool result;
19201   OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; OpenBabel::OBMol *arg2 = 0 ; bool arg3 ;
19202   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
19203   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSmartsPattern, 0 |  0 );
19204   if (!SWIG_IsOK(res1)) {
19205     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSmartsPattern_Match" "', argument " "1"" of type '" "OpenBabel::OBSmartsPattern *""'");  }
19206    arg1 = reinterpret_cast< OpenBabel::OBSmartsPattern * >(argp1);
19207   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
19208     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBSmartsPattern_Match" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
19209    if (!argp2) {
19210     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBSmartsPattern_Match" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
19211    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); arg3 = LOGICAL(single)[0] ? true : false;
19212   result = (bool)(arg1)->Match(*arg2,arg3); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
19213   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSmartsPattern_Match__SWIG_1(SEXP self,SEXP mol,SEXP s_swig_copy)19214 SWIGEXPORT SEXP R_swig_OBSmartsPattern_Match__SWIG_1 ( SEXP self, SEXP mol, SEXP s_swig_copy) { bool result;
19215   OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; OpenBabel::OBMol *arg2 = 0 ; void *argp1 = 0 ;
19216   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
19217   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSmartsPattern, 0 |  0 );
19218   if (!SWIG_IsOK(res1)) {
19219     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSmartsPattern_Match" "', argument " "1"" of type '" "OpenBabel::OBSmartsPattern *""'");  }
19220    arg1 = reinterpret_cast< OpenBabel::OBSmartsPattern * >(argp1);
19221   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
19222     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBSmartsPattern_Match" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
19223    if (!argp2) {
19224     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBSmartsPattern_Match" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
19225    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); result = (bool)(arg1)->Match(*arg2); r_ans = Rf_ScalarLogical(result);
19226   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSmartsPattern_Match__SWIG_2(SEXP self,SEXP mol,SEXP mlist,SEXP mtype,SEXP s_swig_copy)19227 SWIGEXPORT SEXP R_swig_OBSmartsPattern_Match__SWIG_2 ( SEXP self, SEXP mol, SEXP mlist, SEXP mtype, SEXP s_swig_copy) {
19228   bool result; OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; OpenBabel::OBMol *arg2 = 0 ;
19229   std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > *arg3 = 0 ;
19230   OpenBabel::OBSmartsPattern::MatchType arg4 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
19231   void *argp3 = 0 ; int res3 = 0 ; int val4 ; int ecode4 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
19232   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSmartsPattern, 0 |  0 );
19233   if (!SWIG_IsOK(res1)) {
19234     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSmartsPattern_Match" "', argument " "1"" of type '" "OpenBabel::OBSmartsPattern const *""'");  }
19235    arg1 = reinterpret_cast< OpenBabel::OBSmartsPattern * >(argp1);
19236   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
19237     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBSmartsPattern_Match" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
19238    if (!argp2) {
19239     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBSmartsPattern_Match" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
19240    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2);
19241   res3 = SWIG_R_ConvertPtr(mlist, &argp3, SWIGTYPE_p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t,  0 );
19242   if (!SWIG_IsOK(res3)) {
19243     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBSmartsPattern_Match" "', argument " "3"" of type '" "std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > &""'");  }
19244    if (!argp3) {
19245     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBSmartsPattern_Match" "', argument " "3"" of type '" "std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > &""'"); }
19246 
19247   arg3 = reinterpret_cast< std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > * >(argp3);
19248   ecode4 = SWIG_AsVal_int(mtype, &val4); if (!SWIG_IsOK(ecode4)) {
19249     SWIG_exception_fail(SWIG_ArgError(ecode4), "in method '" "OBSmartsPattern_Match" "', argument " "4"" of type '" "OpenBabel::OBSmartsPattern::MatchType""'"); }
19250     arg4 = static_cast< OpenBabel::OBSmartsPattern::MatchType >(val4);
19251   result = (bool)((OpenBabel::OBSmartsPattern const *)arg1)->Match(*arg2,*arg3,arg4); r_ans = Rf_ScalarLogical(result);
19252   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSmartsPattern_Match__SWIG_3(SEXP self,SEXP mol,SEXP mlist,SEXP s_swig_copy)19253 SWIGEXPORT SEXP R_swig_OBSmartsPattern_Match__SWIG_3 ( SEXP self, SEXP mol, SEXP mlist, SEXP s_swig_copy) { bool result;
19254   OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; OpenBabel::OBMol *arg2 = 0 ;
19255   std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > *arg3 = 0 ;
19256   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ;
19257   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19258   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSmartsPattern, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19259     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSmartsPattern_Match" "', argument " "1"" of type '" "OpenBabel::OBSmartsPattern const *""'");  }
19260    arg1 = reinterpret_cast< OpenBabel::OBSmartsPattern * >(argp1);
19261   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
19262     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBSmartsPattern_Match" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
19263    if (!argp2) {
19264     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBSmartsPattern_Match" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
19265    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2);
19266   res3 = SWIG_R_ConvertPtr(mlist, &argp3, SWIGTYPE_p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t,  0 );
19267   if (!SWIG_IsOK(res3)) {
19268     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBSmartsPattern_Match" "', argument " "3"" of type '" "std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > &""'");  }
19269    if (!argp3) {
19270     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBSmartsPattern_Match" "', argument " "3"" of type '" "std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > &""'"); }
19271 
19272   arg3 = reinterpret_cast< std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > * >(argp3);
19273   result = (bool)((OpenBabel::OBSmartsPattern const *)arg1)->Match(*arg2,*arg3); r_ans = Rf_ScalarLogical(result);
19274   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSmartsPattern_HasMatch(SEXP self,SEXP mol,SEXP s_swig_copy)19275 SWIGEXPORT SEXP R_swig_OBSmartsPattern_HasMatch ( SEXP self, SEXP mol, SEXP s_swig_copy) { bool result;
19276   OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; OpenBabel::OBMol *arg2 = 0 ; void *argp1 = 0 ;
19277   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
19278   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSmartsPattern, 0 |  0 );
19279   if (!SWIG_IsOK(res1)) {
19280     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSmartsPattern_HasMatch" "', argument " "1"" of type '" "OpenBabel::OBSmartsPattern const *""'");  }
19281    arg1 = reinterpret_cast< OpenBabel::OBSmartsPattern * >(argp1);
19282   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
19283     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBSmartsPattern_HasMatch" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
19284    if (!argp2) {
19285     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBSmartsPattern_HasMatch" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
19286    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2);
19287   result = (bool)((OpenBabel::OBSmartsPattern const *)arg1)->HasMatch(*arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
19288   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSmartsPattern_RestrictedMatch__SWIG_0(SEXP self,SEXP mol,SEXP pairs,SEXP single,SEXP s_swig_copy)19289 SWIGEXPORT SEXP R_swig_OBSmartsPattern_RestrictedMatch__SWIG_0 ( SEXP self, SEXP mol, SEXP pairs, SEXP single, SEXP s_swig_copy)
19290 { bool result; OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; OpenBabel::OBMol *arg2 = 0 ;
19291   std::vector< std::pair< int,int >,std::allocator< std::pair< int,int > > > *arg3 = 0 ; bool arg4 ; void *argp1 = 0 ;
19292   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0;
19293   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19294   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSmartsPattern, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19295     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSmartsPattern_RestrictedMatch" "', argument " "1"" of type '" "OpenBabel::OBSmartsPattern *""'");  }
19296    arg1 = reinterpret_cast< OpenBabel::OBSmartsPattern * >(argp1);
19297   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
19298     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBSmartsPattern_RestrictedMatch" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
19299    if (!argp2) {
19300     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBSmartsPattern_RestrictedMatch" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
19301    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2);
19302   res3 = SWIG_R_ConvertPtr(pairs, &argp3, SWIGTYPE_p_std__vectorT_std__pairT_int_int_t_std__allocatorT_std__pairT_int_int_t_t_t,  0 );
19303   if (!SWIG_IsOK(res3)) {
19304     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBSmartsPattern_RestrictedMatch" "', argument " "3"" of type '" "std::vector< std::pair< int,int >,std::allocator< std::pair< int,int > > > &""'");  }
19305    if (!argp3) {
19306     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBSmartsPattern_RestrictedMatch" "', argument " "3"" of type '" "std::vector< std::pair< int,int >,std::allocator< std::pair< int,int > > > &""'"); }
19307    arg3 = reinterpret_cast< std::vector< std::pair< int,int >,std::allocator< std::pair< int,int > > > * >(argp3);
19308   arg4 = LOGICAL(single)[0] ? true : false; result = (bool)(arg1)->RestrictedMatch(*arg2,*arg3,arg4);
19309   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSmartsPattern_RestrictedMatch__SWIG_1(SEXP self,SEXP mol,SEXP pairs,SEXP s_swig_copy)19310 SWIGEXPORT SEXP R_swig_OBSmartsPattern_RestrictedMatch__SWIG_1 ( SEXP self, SEXP mol, SEXP pairs, SEXP s_swig_copy) {
19311   bool result; OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; OpenBabel::OBMol *arg2 = 0 ;
19312   std::vector< std::pair< int,int >,std::allocator< std::pair< int,int > > > *arg3 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
19313   void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
19314   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSmartsPattern, 0 |  0 );
19315   if (!SWIG_IsOK(res1)) {
19316     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSmartsPattern_RestrictedMatch" "', argument " "1"" of type '" "OpenBabel::OBSmartsPattern *""'");  }
19317    arg1 = reinterpret_cast< OpenBabel::OBSmartsPattern * >(argp1);
19318   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
19319     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBSmartsPattern_RestrictedMatch" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
19320    if (!argp2) {
19321     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBSmartsPattern_RestrictedMatch" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
19322    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2);
19323   res3 = SWIG_R_ConvertPtr(pairs, &argp3, SWIGTYPE_p_std__vectorT_std__pairT_int_int_t_std__allocatorT_std__pairT_int_int_t_t_t,  0 );
19324   if (!SWIG_IsOK(res3)) {
19325     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBSmartsPattern_RestrictedMatch" "', argument " "3"" of type '" "std::vector< std::pair< int,int >,std::allocator< std::pair< int,int > > > &""'");  }
19326    if (!argp3) {
19327     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBSmartsPattern_RestrictedMatch" "', argument " "3"" of type '" "std::vector< std::pair< int,int >,std::allocator< std::pair< int,int > > > &""'"); }
19328    arg3 = reinterpret_cast< std::vector< std::pair< int,int >,std::allocator< std::pair< int,int > > > * >(argp3);
19329   result = (bool)(arg1)->RestrictedMatch(*arg2,*arg3); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
19330   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSmartsPattern_RestrictedMatch__SWIG_2(SEXP self,SEXP mol,SEXP bv,SEXP single,SEXP s_swig_copy)19331 SWIGEXPORT SEXP R_swig_OBSmartsPattern_RestrictedMatch__SWIG_2 ( SEXP self, SEXP mol, SEXP bv, SEXP single, SEXP s_swig_copy) {
19332   bool result; OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; OpenBabel::OBMol *arg2 = 0 ;
19333   OpenBabel::OBBitVec *arg3 = 0 ; bool arg4 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
19334   void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19335   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSmartsPattern, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19336     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSmartsPattern_RestrictedMatch" "', argument " "1"" of type '" "OpenBabel::OBSmartsPattern *""'");  }
19337    arg1 = reinterpret_cast< OpenBabel::OBSmartsPattern * >(argp1);
19338   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
19339     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBSmartsPattern_RestrictedMatch" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
19340    if (!argp2) {
19341     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBSmartsPattern_RestrictedMatch" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
19342    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2);
19343   res3 = SWIG_R_ConvertPtr(bv, &argp3, SWIGTYPE_p_OpenBabel__OBBitVec,  0 ); if (!SWIG_IsOK(res3)) {
19344     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBSmartsPattern_RestrictedMatch" "', argument " "3"" of type '" "OpenBabel::OBBitVec &""'");  }
19345    if (!argp3) {
19346     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBSmartsPattern_RestrictedMatch" "', argument " "3"" of type '" "OpenBabel::OBBitVec &""'"); }
19347    arg3 = reinterpret_cast< OpenBabel::OBBitVec * >(argp3); arg4 = LOGICAL(single)[0] ? true : false;
19348   result = (bool)(arg1)->RestrictedMatch(*arg2,*arg3,arg4); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
19349   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSmartsPattern_RestrictedMatch__SWIG_3(SEXP self,SEXP mol,SEXP bv,SEXP s_swig_copy)19350 SWIGEXPORT SEXP R_swig_OBSmartsPattern_RestrictedMatch__SWIG_3 ( SEXP self, SEXP mol, SEXP bv, SEXP s_swig_copy) { bool result;
19351   OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; OpenBabel::OBMol *arg2 = 0 ;
19352   OpenBabel::OBBitVec *arg3 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ;
19353   int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19354   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSmartsPattern, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19355     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSmartsPattern_RestrictedMatch" "', argument " "1"" of type '" "OpenBabel::OBSmartsPattern *""'");  }
19356    arg1 = reinterpret_cast< OpenBabel::OBSmartsPattern * >(argp1);
19357   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
19358     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBSmartsPattern_RestrictedMatch" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
19359    if (!argp2) {
19360     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBSmartsPattern_RestrictedMatch" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
19361    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2);
19362   res3 = SWIG_R_ConvertPtr(bv, &argp3, SWIGTYPE_p_OpenBabel__OBBitVec,  0 ); if (!SWIG_IsOK(res3)) {
19363     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBSmartsPattern_RestrictedMatch" "', argument " "3"" of type '" "OpenBabel::OBBitVec &""'");  }
19364    if (!argp3) {
19365     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBSmartsPattern_RestrictedMatch" "', argument " "3"" of type '" "OpenBabel::OBBitVec &""'"); }
19366    arg3 = reinterpret_cast< OpenBabel::OBBitVec * >(argp3); result = (bool)(arg1)->RestrictedMatch(*arg2,*arg3);
19367   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSmartsPattern_NumMatches(SEXP self,SEXP s_swig_copy)19368 SWIGEXPORT SEXP R_swig_OBSmartsPattern_NumMatches ( SEXP self, SEXP s_swig_copy) { unsigned int result;
19369   OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
19370   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19371   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSmartsPattern, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19372     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSmartsPattern_NumMatches" "', argument " "1"" of type '" "OpenBabel::OBSmartsPattern const *""'");  }
19373    arg1 = reinterpret_cast< OpenBabel::OBSmartsPattern * >(argp1);
19374   result = (unsigned int)((OpenBabel::OBSmartsPattern const *)arg1)->NumMatches();
19375   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSmartsPattern_GetMapList(SEXP self,SEXP s_swig_copy)19376 SWIGEXPORT SEXP R_swig_OBSmartsPattern_GetMapList ( SEXP self, SEXP s_swig_copy) {
19377   std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > *result = 0 ;
19378   OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
19379   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19380   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSmartsPattern, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19381     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSmartsPattern_GetMapList" "', argument " "1"" of type '" "OpenBabel::OBSmartsPattern *""'");  }
19382    arg1 = reinterpret_cast< OpenBabel::OBSmartsPattern * >(argp1);
19383   result = (std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > *) &(arg1)->GetMapList();
19384   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t, R_SWIG_EXTERNAL |  0 );
19385   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSmartsPattern_BeginMList(SEXP self,SEXP s_swig_copy)19386 SWIGEXPORT SEXP R_swig_OBSmartsPattern_BeginMList ( SEXP self, SEXP s_swig_copy) {
19387   SwigValueWrapper< std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > >::iterator > result;
19388   OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
19389   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19390   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSmartsPattern, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19391     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSmartsPattern_BeginMList" "', argument " "1"" of type '" "OpenBabel::OBSmartsPattern *""'");  }
19392    arg1 = reinterpret_cast< OpenBabel::OBSmartsPattern * >(argp1); result = (arg1)->BeginMList();
19393   r_ans = SWIG_R_NewPointerObj((new std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > >::iterator(static_cast< const std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > >::iterator& >(result))), SWIGTYPE_p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t__iterator, SWIG_POINTER_OWN |  0 );
19394   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSmartsPattern_EndMList(SEXP self,SEXP s_swig_copy)19395 SWIGEXPORT SEXP R_swig_OBSmartsPattern_EndMList ( SEXP self, SEXP s_swig_copy) {
19396   SwigValueWrapper< std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > >::iterator > result;
19397   OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
19398   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19399   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSmartsPattern, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19400     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSmartsPattern_EndMList" "', argument " "1"" of type '" "OpenBabel::OBSmartsPattern *""'");  }
19401    arg1 = reinterpret_cast< OpenBabel::OBSmartsPattern * >(argp1); result = (arg1)->EndMList();
19402   r_ans = SWIG_R_NewPointerObj((new std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > >::iterator(static_cast< const std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > >::iterator& >(result))), SWIGTYPE_p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t__iterator, SWIG_POINTER_OWN |  0 );
19403   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSmartsPattern_GetUMapList(SEXP self,SEXP s_swig_copy)19404 SWIGEXPORT SEXP R_swig_OBSmartsPattern_GetUMapList ( SEXP self, SEXP s_swig_copy) {
19405   std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > *result = 0 ;
19406   OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
19407   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19408   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSmartsPattern, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19409     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSmartsPattern_GetUMapList" "', argument " "1"" of type '" "OpenBabel::OBSmartsPattern *""'");  }
19410    arg1 = reinterpret_cast< OpenBabel::OBSmartsPattern * >(argp1);
19411   result = (std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > *) &(arg1)->GetUMapList();
19412   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t, R_SWIG_EXTERNAL |  0 );
19413   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSmartsPattern_WriteMapList(SEXP self,SEXP s_arg2)19414 SWIGEXPORT SEXP R_swig_OBSmartsPattern_WriteMapList ( SEXP self, SEXP s_arg2) {
19415   OpenBabel::OBSmartsPattern *arg1 = (OpenBabel::OBSmartsPattern *) 0 ; std::ostream *arg2 = 0 ; void *argp1 = 0 ;
19416   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
19417   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSmartsPattern, 0 |  0 );
19418   if (!SWIG_IsOK(res1)) {
19419     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSmartsPattern_WriteMapList" "', argument " "1"" of type '" "OpenBabel::OBSmartsPattern *""'");  }
19420    arg1 = reinterpret_cast< OpenBabel::OBSmartsPattern * >(argp1);
19421   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_std__ostream,  0 ); if (!SWIG_IsOK(res2)) {
19422     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBSmartsPattern_WriteMapList" "', argument " "2"" of type '" "std::ostream &""'");  }
19423    if (!argp2) {
19424     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBSmartsPattern_WriteMapList" "', argument " "2"" of type '" "std::ostream &""'"); }
19425    arg2 = reinterpret_cast< std::ostream * >(argp2); (arg1)->WriteMapList(*arg2); r_ans = R_NilValue; vmaxset(r_vmax);
19426   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBSmartsMatcher()19427 SWIGEXPORT SEXP R_swig_new_OBSmartsMatcher ( ) { OpenBabel::OBSmartsMatcher *result = 0 ; unsigned int r_nprotect = 0;
19428   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19429   result = (OpenBabel::OBSmartsMatcher *)new OpenBabel::OBSmartsMatcher();
19430   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBSmartsMatcher, R_SWIG_OWNER |  0 );
19431   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBSmartsMatcher(SEXP self)19432 SWIGEXPORT SEXP R_swig_delete_OBSmartsMatcher ( SEXP self) {
19433   OpenBabel::OBSmartsMatcher *arg1 = (OpenBabel::OBSmartsMatcher *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
19434   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19435   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSmartsMatcher, SWIG_POINTER_DISOWN |  0 );
19436   if (!SWIG_IsOK(res1)) {
19437     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBSmartsMatcher" "', argument " "1"" of type '" "OpenBabel::OBSmartsMatcher *""'");  }
19438    arg1 = reinterpret_cast< OpenBabel::OBSmartsMatcher * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
19439   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBSmartsMatcher_match__SWIG_0(SEXP self,SEXP mol,SEXP pat,SEXP mlist,SEXP single,SEXP s_swig_copy)19440 SWIGEXPORT SEXP R_swig_OBSmartsMatcher_match__SWIG_0 ( SEXP self, SEXP mol, SEXP pat, SEXP mlist, SEXP single, SEXP s_swig_copy)
19441 { bool result; OpenBabel::OBSmartsMatcher *arg1 = (OpenBabel::OBSmartsMatcher *) 0 ; OpenBabel::OBMol *arg2 = 0 ;
19442   OpenBabel::Pattern *arg3 = (OpenBabel::Pattern *) 0 ;
19443   std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > *arg4 = 0 ;
19444   bool arg5 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ;
19445   void *argp4 = 0 ; int res4 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19446   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSmartsMatcher, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19447     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSmartsMatcher_match" "', argument " "1"" of type '" "OpenBabel::OBSmartsMatcher *""'");  }
19448    arg1 = reinterpret_cast< OpenBabel::OBSmartsMatcher * >(argp1);
19449   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
19450     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBSmartsMatcher_match" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
19451    if (!argp2) {
19452     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBSmartsMatcher_match" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
19453    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2);
19454   res3 = SWIG_R_ConvertPtr(pat, &argp3, SWIGTYPE_p_OpenBabel__Pattern, 0 |  0 ); if (!SWIG_IsOK(res3)) {
19455     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBSmartsMatcher_match" "', argument " "3"" of type '" "OpenBabel::Pattern const *""'");  }
19456    arg3 = reinterpret_cast< OpenBabel::Pattern * >(argp3);
19457   res4 = SWIG_R_ConvertPtr(mlist, &argp4, SWIGTYPE_p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t,  0 );
19458   if (!SWIG_IsOK(res4)) {
19459     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "OBSmartsMatcher_match" "', argument " "4"" of type '" "std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > &""'");  }
19460    if (!argp4) {
19461     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBSmartsMatcher_match" "', argument " "4"" of type '" "std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > &""'"); }
19462 
19463   arg4 = reinterpret_cast< std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > * >(argp4);
19464   arg5 = LOGICAL(single)[0] ? true : false; result = (bool)(arg1)->match(*arg2,(OpenBabel::Pattern const *)arg3,*arg4,arg5);
19465   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSmartsMatcher_match__SWIG_1(SEXP self,SEXP mol,SEXP pat,SEXP mlist,SEXP s_swig_copy)19466 SWIGEXPORT SEXP R_swig_OBSmartsMatcher_match__SWIG_1 ( SEXP self, SEXP mol, SEXP pat, SEXP mlist, SEXP s_swig_copy) {
19467   bool result; OpenBabel::OBSmartsMatcher *arg1 = (OpenBabel::OBSmartsMatcher *) 0 ; OpenBabel::OBMol *arg2 = 0 ;
19468   OpenBabel::Pattern *arg3 = (OpenBabel::Pattern *) 0 ;
19469   std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > *arg4 = 0 ;
19470   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; void *argp4 = 0 ;
19471   int res4 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19472   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSmartsMatcher, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19473     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSmartsMatcher_match" "', argument " "1"" of type '" "OpenBabel::OBSmartsMatcher *""'");  }
19474    arg1 = reinterpret_cast< OpenBabel::OBSmartsMatcher * >(argp1);
19475   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
19476     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBSmartsMatcher_match" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
19477    if (!argp2) {
19478     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBSmartsMatcher_match" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
19479    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2);
19480   res3 = SWIG_R_ConvertPtr(pat, &argp3, SWIGTYPE_p_OpenBabel__Pattern, 0 |  0 ); if (!SWIG_IsOK(res3)) {
19481     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBSmartsMatcher_match" "', argument " "3"" of type '" "OpenBabel::Pattern const *""'");  }
19482    arg3 = reinterpret_cast< OpenBabel::Pattern * >(argp3);
19483   res4 = SWIG_R_ConvertPtr(mlist, &argp4, SWIGTYPE_p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t,  0 );
19484   if (!SWIG_IsOK(res4)) {
19485     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "OBSmartsMatcher_match" "', argument " "4"" of type '" "std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > &""'");  }
19486    if (!argp4) {
19487     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBSmartsMatcher_match" "', argument " "4"" of type '" "std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > &""'"); }
19488 
19489   arg4 = reinterpret_cast< std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > * >(argp4);
19490   result = (bool)(arg1)->match(*arg2,(OpenBabel::Pattern const *)arg3,*arg4); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
19491   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBSSMatch(SEXP s_arg1,SEXP s_arg2)19492 SWIGEXPORT SEXP R_swig_new_OBSSMatch ( SEXP s_arg1, SEXP s_arg2) { OpenBabel::OBSSMatch *result = 0 ;
19493   OpenBabel::OBMol *arg1 = 0 ; OpenBabel::Pattern *arg2 = (OpenBabel::Pattern *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
19494   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19495   res1 = SWIG_R_ConvertPtr(s_arg1, &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res1)) {
19496     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBSSMatch" "', argument " "1"" of type '" "OpenBabel::OBMol &""'");  }
19497    if (!argp1) {
19498     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBSSMatch" "', argument " "1"" of type '" "OpenBabel::OBMol &""'"); }
19499    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
19500   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__Pattern, 0 |  0 ); if (!SWIG_IsOK(res2)) {
19501     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_OBSSMatch" "', argument " "2"" of type '" "OpenBabel::Pattern const *""'");  }
19502    arg2 = reinterpret_cast< OpenBabel::Pattern * >(argp2);
19503   result = (OpenBabel::OBSSMatch *)new OpenBabel::OBSSMatch(*arg1,(OpenBabel::Pattern const *)arg2);
19504   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBSSMatch, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
19505   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBSSMatch(SEXP self)19506 SWIGEXPORT SEXP R_swig_delete_OBSSMatch ( SEXP self) { OpenBabel::OBSSMatch *arg1 = (OpenBabel::OBSSMatch *) 0 ;
19507   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19508   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSSMatch, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
19509     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBSSMatch" "', argument " "1"" of type '" "OpenBabel::OBSSMatch *""'");  }
19510    arg1 = reinterpret_cast< OpenBabel::OBSSMatch * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
19511   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBSSMatch_Match__SWIG_0(SEXP self,SEXP v,SEXP bidx)19512 SWIGEXPORT SEXP R_swig_OBSSMatch_Match__SWIG_0 ( SEXP self, SEXP v, SEXP bidx) {
19513   OpenBabel::OBSSMatch *arg1 = (OpenBabel::OBSSMatch *) 0 ;
19514   std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > *arg2 = 0 ;
19515   int arg3 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0;
19516   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19517   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSSMatch, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19518     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSSMatch_Match" "', argument " "1"" of type '" "OpenBabel::OBSSMatch *""'");  }
19519    arg1 = reinterpret_cast< OpenBabel::OBSSMatch * >(argp1);
19520   res2 = SWIG_R_ConvertPtr(v, &argp2, SWIGTYPE_p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t,  0 );
19521   if (!SWIG_IsOK(res2)) {
19522     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBSSMatch_Match" "', argument " "2"" of type '" "std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > &""'");  }
19523    if (!argp2) {
19524     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBSSMatch_Match" "', argument " "2"" of type '" "std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > &""'"); }
19525 
19526   arg2 = reinterpret_cast< std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > * >(argp2);
19527   arg3 = static_cast< int >(INTEGER(bidx)[0]); (arg1)->Match(*arg2,arg3); r_ans = R_NilValue; vmaxset(r_vmax);
19528   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSSMatch_Match__SWIG_1(SEXP self,SEXP v)19529 SWIGEXPORT SEXP R_swig_OBSSMatch_Match__SWIG_1 ( SEXP self, SEXP v) { OpenBabel::OBSSMatch *arg1 = (OpenBabel::OBSSMatch *) 0 ;
19530   std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > *arg2 = 0 ;
19531   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
19532   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSSMatch, 0 |  0 );
19533   if (!SWIG_IsOK(res1)) {
19534     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSSMatch_Match" "', argument " "1"" of type '" "OpenBabel::OBSSMatch *""'");  }
19535    arg1 = reinterpret_cast< OpenBabel::OBSSMatch * >(argp1);
19536   res2 = SWIG_R_ConvertPtr(v, &argp2, SWIGTYPE_p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t,  0 );
19537   if (!SWIG_IsOK(res2)) {
19538     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBSSMatch_Match" "', argument " "2"" of type '" "std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > &""'");  }
19539    if (!argp2) {
19540     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBSSMatch_Match" "', argument " "2"" of type '" "std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > &""'"); }
19541 
19542   arg2 = reinterpret_cast< std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > * >(argp2);
19543   (arg1)->Match(*arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_SmartsLexReplace(SEXP s_arg1,SEXP s_arg2)19544 SWIGEXPORT SEXP R_swig_SmartsLexReplace ( SEXP s_arg1, SEXP s_arg2) { std::string *arg1 = 0 ;
19545   std::vector< std::pair< std::string,std::string >,std::allocator< std::pair< std::string,std::string > > > *arg2 = 0 ;
19546   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
19547   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(s_arg1, &argp1, SWIGTYPE_p_std__string,  0 ); if (!SWIG_IsOK(res1)) {
19548     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "SmartsLexReplace" "', argument " "1"" of type '" "std::string &""'");  }
19549    if (!argp1) {
19550     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "SmartsLexReplace" "', argument " "1"" of type '" "std::string &""'"); }
19551    arg1 = reinterpret_cast< std::string * >(argp1);
19552   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_std__vectorT_std__pairT_std__string_std__string_t_std__allocatorT_std__pairT_std__string_std__string_t_t_t,  0 );
19553   if (!SWIG_IsOK(res2)) {
19554     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "SmartsLexReplace" "', argument " "2"" of type '" "std::vector< std::pair< std::string,std::string >,std::allocator< std::pair< std::string,std::string > > > &""'");  }
19555    if (!argp2) {
19556     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "SmartsLexReplace" "', argument " "2"" of type '" "std::vector< std::pair< std::string,std::string >,std::allocator< std::pair< std::string,std::string > > > &""'"); }
19557 
19558   arg2 = reinterpret_cast< std::vector< std::pair< std::string,std::string >,std::allocator< std::pair< std::string,std::string > > > * >(argp2);
19559   OpenBabel::SmartsLexReplace(*arg1,*arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
19560   return r_ans; }
R_swig_AliasDataType_get(SEXP s_swig_copy)19561 SWIGEXPORT SEXP R_swig_AliasDataType_get ( SEXP s_swig_copy) { unsigned int result; unsigned int r_nprotect = 0;
19562   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (unsigned int)(unsigned int)OpenBabel::AliasDataType;
19563   r_ans = SWIG_From_unsigned_SS_int(static_cast< unsigned int >(result)); vmaxset(r_vmax);
19564   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_AliasData()19565 SWIGEXPORT SEXP R_swig_new_AliasData ( ) { OpenBabel::AliasData *result = 0 ; unsigned int r_nprotect = 0;
19566   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::AliasData *)new OpenBabel::AliasData();
19567   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__AliasData, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
19568   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_AliasData_SetAlias__SWIG_0(SEXP self,SEXP alias)19569 SWIGEXPORT SEXP R_swig_AliasData_SetAlias__SWIG_0 ( SEXP self, SEXP alias) {
19570   OpenBabel::AliasData *arg1 = (OpenBabel::AliasData *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
19571   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19572   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__AliasData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19573     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "AliasData_SetAlias" "', argument " "1"" of type '" "OpenBabel::AliasData *""'");  }
19574    arg1 = reinterpret_cast< OpenBabel::AliasData * >(argp1); { std::string *ptr = (std::string *)0;
19575     res2 = SWIG_AsPtr_std_string(alias, &ptr); if (!SWIG_IsOK(res2)) {
19576       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "AliasData_SetAlias" "', argument " "2"" of type '" "std::string const &""'"); }
19577      if (!ptr) {
19578       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "AliasData_SetAlias" "', argument " "2"" of type '" "std::string const &""'"); }
19579      arg2 = ptr; }  (arg1)->SetAlias((std::string const &)*arg2); r_ans = R_NilValue; if (SWIG_IsNewObj(res2)) delete arg2;
19580   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_AliasData_SetAlias__SWIG_1(SEXP self,SEXP alias)19581 SWIGEXPORT SEXP R_swig_AliasData_SetAlias__SWIG_1 ( SEXP self, SEXP alias) {
19582   OpenBabel::AliasData *arg1 = (OpenBabel::AliasData *) 0 ; char *arg2 = (char *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
19583   int res2 ; char *buf2 = 0 ; int alloc2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
19584   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__AliasData, 0 |  0 );
19585   if (!SWIG_IsOK(res1)) {
19586     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "AliasData_SetAlias" "', argument " "1"" of type '" "OpenBabel::AliasData *""'");  }
19587    arg1 = reinterpret_cast< OpenBabel::AliasData * >(argp1); res2 = SWIG_AsCharPtrAndSize(alias, &buf2, NULL, &alloc2);
19588   if (!SWIG_IsOK(res2)) {
19589     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "AliasData_SetAlias" "', argument " "2"" of type '" "char const *""'"); }
19590    arg2 = reinterpret_cast< char * >(buf2); (arg1)->SetAlias((char const *)arg2); r_ans = R_NilValue;
19591   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_AliasData_GetAlias__SWIG_0(SEXP self,SEXP rightAligned,SEXP s_swig_copy)19592 SWIGEXPORT SEXP R_swig_AliasData_GetAlias__SWIG_0 ( SEXP self, SEXP rightAligned, SEXP s_swig_copy) { std::string result;
19593   OpenBabel::AliasData *arg1 = (OpenBabel::AliasData *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
19594   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19595   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__AliasData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19596     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "AliasData_GetAlias" "', argument " "1"" of type '" "OpenBabel::AliasData const *""'");  }
19597    arg1 = reinterpret_cast< OpenBabel::AliasData * >(argp1); arg2 = LOGICAL(rightAligned)[0] ? true : false;
19598   result = ((OpenBabel::AliasData const *)arg1)->GetAlias(arg2);
19599   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
19600   return r_ans; }
R_swig_AliasData_GetAlias__SWIG_1(SEXP self,SEXP s_swig_copy)19601 SWIGEXPORT SEXP R_swig_AliasData_GetAlias__SWIG_1 ( SEXP self, SEXP s_swig_copy) { std::string result;
19602   OpenBabel::AliasData *arg1 = (OpenBabel::AliasData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
19603   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19604   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__AliasData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19605     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "AliasData_GetAlias" "', argument " "1"" of type '" "OpenBabel::AliasData const *""'");  }
19606    arg1 = reinterpret_cast< OpenBabel::AliasData * >(argp1); result = ((OpenBabel::AliasData const *)arg1)->GetAlias();
19607   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
19608   return r_ans; }
R_swig_AliasData_GetColor(SEXP self,SEXP s_swig_copy)19609 SWIGEXPORT SEXP R_swig_AliasData_GetColor ( SEXP self, SEXP s_swig_copy) { std::string result;
19610   OpenBabel::AliasData *arg1 = (OpenBabel::AliasData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
19611   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19612   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__AliasData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19613     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "AliasData_GetColor" "', argument " "1"" of type '" "OpenBabel::AliasData const *""'");  }
19614    arg1 = reinterpret_cast< OpenBabel::AliasData * >(argp1); result = ((OpenBabel::AliasData const *)arg1)->GetColor();
19615   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
19616   return r_ans; }
R_swig_AliasData_SetColor(SEXP self,SEXP color)19617 SWIGEXPORT SEXP R_swig_AliasData_SetColor ( SEXP self, SEXP color) { OpenBabel::AliasData *arg1 = (OpenBabel::AliasData *) 0 ;
19618   std::string arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
19619   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__AliasData, 0 |  0 );
19620   if (!SWIG_IsOK(res1)) {
19621     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "AliasData_SetColor" "', argument " "1"" of type '" "OpenBabel::AliasData *""'");  }
19622    arg1 = reinterpret_cast< OpenBabel::AliasData * >(argp1); { std::string *ptr = (std::string *)0;
19623     int res = SWIG_AsPtr_std_string(color, &ptr); if (!SWIG_IsOK(res) || !ptr) {
19624       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "AliasData_SetColor" "', argument " "2"" of type '" "std::string""'");  }
19625      arg2 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  (arg1)->SetColor(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
19626   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_AliasData_IsExpanded(SEXP self,SEXP s_swig_copy)19627 SWIGEXPORT SEXP R_swig_AliasData_IsExpanded ( SEXP self, SEXP s_swig_copy) { bool result;
19628   OpenBabel::AliasData *arg1 = (OpenBabel::AliasData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
19629   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19630   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__AliasData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19631     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "AliasData_IsExpanded" "', argument " "1"" of type '" "OpenBabel::AliasData const *""'");  }
19632    arg1 = reinterpret_cast< OpenBabel::AliasData * >(argp1); result = (bool)((OpenBabel::AliasData const *)arg1)->IsExpanded();
19633   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_AliasData_RevertToAliasForm(SEXP mol)19634 SWIGEXPORT SEXP R_swig_AliasData_RevertToAliasForm ( SEXP mol) { OpenBabel::OBMol *arg1 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
19635   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19636   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res1)) {
19637     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "AliasData_RevertToAliasForm" "', argument " "1"" of type '" "OpenBabel::OBMol &""'");  }
19638    if (!argp1) {
19639     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "AliasData_RevertToAliasForm" "', argument " "1"" of type '" "OpenBabel::OBMol &""'"); }
19640    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); OpenBabel::AliasData::RevertToAliasForm(*arg1); r_ans = R_NilValue;
19641   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_AliasData_Expand(SEXP self,SEXP mol,SEXP atomindex,SEXP s_swig_copy)19642 SWIGEXPORT SEXP R_swig_AliasData_Expand ( SEXP self, SEXP mol, SEXP atomindex, SEXP s_swig_copy) { bool result;
19643   OpenBabel::AliasData *arg1 = (OpenBabel::AliasData *) 0 ; OpenBabel::OBMol *arg2 = 0 ; unsigned int arg3 ; void *argp1 = 0 ;
19644   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0;
19645   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19646   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__AliasData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19647     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "AliasData_Expand" "', argument " "1"" of type '" "OpenBabel::AliasData *""'");  }
19648    arg1 = reinterpret_cast< OpenBabel::AliasData * >(argp1);
19649   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
19650     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "AliasData_Expand" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
19651    if (!argp2) {
19652     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "AliasData_Expand" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
19653    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); ecode3 = SWIG_AsVal_int(atomindex, &val3); if (!SWIG_IsOK(ecode3)) {
19654     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "AliasData_Expand" "', argument " "3"" of type '" "unsigned int""'"); }
19655     arg3 = static_cast< unsigned int >(val3); result = (bool)(arg1)->Expand(*arg2,arg3); r_ans = Rf_ScalarLogical(result);
19656   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_AliasData(SEXP self)19657 SWIGEXPORT SEXP R_swig_delete_AliasData ( SEXP self) { OpenBabel::AliasData *arg1 = (OpenBabel::AliasData *) 0 ;
19658   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19659   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__AliasData, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
19660     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_AliasData" "', argument " "1"" of type '" "OpenBabel::AliasData *""'");  }
19661    arg1 = reinterpret_cast< OpenBabel::AliasData * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
19662   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_new_OBAtomClassData()19663 SWIGEXPORT SEXP R_swig_new_OBAtomClassData ( ) { OpenBabel::OBAtomClassData *result = 0 ; unsigned int r_nprotect = 0;
19664   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19665   result = (OpenBabel::OBAtomClassData *)new OpenBabel::OBAtomClassData();
19666   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtomClassData, R_SWIG_OWNER |  0 );
19667   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomClassData_Clear(SEXP self)19668 SWIGEXPORT SEXP R_swig_OBAtomClassData_Clear ( SEXP self) {
19669   OpenBabel::OBAtomClassData *arg1 = (OpenBabel::OBAtomClassData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
19670   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19671   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomClassData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19672     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomClassData_Clear" "', argument " "1"" of type '" "OpenBabel::OBAtomClassData *""'");  }
19673    arg1 = reinterpret_cast< OpenBabel::OBAtomClassData * >(argp1); (arg1)->Clear(); r_ans = R_NilValue; vmaxset(r_vmax);
19674   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomClassData_Add(SEXP self,SEXP indx,SEXP cl)19675 SWIGEXPORT SEXP R_swig_OBAtomClassData_Add ( SEXP self, SEXP indx, SEXP cl) {
19676   OpenBabel::OBAtomClassData *arg1 = (OpenBabel::OBAtomClassData *) 0 ; int arg2 ; int arg3 ; void *argp1 = 0 ; int res1 = 0 ;
19677   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19678   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomClassData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19679     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomClassData_Add" "', argument " "1"" of type '" "OpenBabel::OBAtomClassData *""'");  }
19680    arg1 = reinterpret_cast< OpenBabel::OBAtomClassData * >(argp1); arg2 = static_cast< int >(INTEGER(indx)[0]);
19681   arg3 = static_cast< int >(INTEGER(cl)[0]); (arg1)->Add(arg2,arg3); r_ans = R_NilValue; vmaxset(r_vmax);
19682   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomClassData_HasClass(SEXP self,SEXP indx,SEXP s_swig_copy)19683 SWIGEXPORT SEXP R_swig_OBAtomClassData_HasClass ( SEXP self, SEXP indx, SEXP s_swig_copy) { bool result;
19684   OpenBabel::OBAtomClassData *arg1 = (OpenBabel::OBAtomClassData *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
19685   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19686   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomClassData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19687     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomClassData_HasClass" "', argument " "1"" of type '" "OpenBabel::OBAtomClassData const *""'");  }
19688    arg1 = reinterpret_cast< OpenBabel::OBAtomClassData * >(argp1); arg2 = static_cast< int >(INTEGER(indx)[0]);
19689   result = (bool)((OpenBabel::OBAtomClassData const *)arg1)->HasClass(arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
19690   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomClassData_GetClass(SEXP self,SEXP indx,SEXP s_swig_copy)19691 SWIGEXPORT SEXP R_swig_OBAtomClassData_GetClass ( SEXP self, SEXP indx, SEXP s_swig_copy) { int result;
19692   OpenBabel::OBAtomClassData *arg1 = (OpenBabel::OBAtomClassData *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
19693   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19694   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomClassData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19695     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomClassData_GetClass" "', argument " "1"" of type '" "OpenBabel::OBAtomClassData const *""'");  }
19696    arg1 = reinterpret_cast< OpenBabel::OBAtomClassData * >(argp1); arg2 = static_cast< int >(INTEGER(indx)[0]);
19697   result = (int)((OpenBabel::OBAtomClassData const *)arg1)->GetClass(arg2); r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax);
19698   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomClassData_GetClassString(SEXP self,SEXP indx,SEXP s_swig_copy)19699 SWIGEXPORT SEXP R_swig_OBAtomClassData_GetClassString ( SEXP self, SEXP indx, SEXP s_swig_copy) { std::string result;
19700   OpenBabel::OBAtomClassData *arg1 = (OpenBabel::OBAtomClassData *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
19701   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19702   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomClassData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19703     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomClassData_GetClassString" "', argument " "1"" of type '" "OpenBabel::OBAtomClassData *""'");  }
19704    arg1 = reinterpret_cast< OpenBabel::OBAtomClassData * >(argp1); arg2 = static_cast< int >(INTEGER(indx)[0]);
19705   result = (arg1)->GetClassString(arg2); r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax);
19706   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomClassData_size(SEXP self,SEXP s_swig_copy)19707 SWIGEXPORT SEXP R_swig_OBAtomClassData_size ( SEXP self, SEXP s_swig_copy) { int result;
19708   OpenBabel::OBAtomClassData *arg1 = (OpenBabel::OBAtomClassData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
19709   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19710   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomClassData, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19711     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomClassData_size" "', argument " "1"" of type '" "OpenBabel::OBAtomClassData *""'");  }
19712    arg1 = reinterpret_cast< OpenBabel::OBAtomClassData * >(argp1); result = (int)(arg1)->size();
19713   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBAtomClassData(SEXP self)19714 SWIGEXPORT SEXP R_swig_delete_OBAtomClassData ( SEXP self) {
19715   OpenBabel::OBAtomClassData *arg1 = (OpenBabel::OBAtomClassData *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
19716   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19717   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomClassData, SWIG_POINTER_DISOWN |  0 );
19718   if (!SWIG_IsOK(res1)) {
19719     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBAtomClassData" "', argument " "1"" of type '" "OpenBabel::OBAtomClassData *""'");  }
19720    arg1 = reinterpret_cast< OpenBabel::OBAtomClassData * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
19721   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBFingerprint_Default(SEXP s_swig_copy)19722 SWIGEXPORT SEXP R_swig_OBFingerprint_Default ( SEXP s_swig_copy) { OpenBabel::OBFingerprint **result = 0 ;
19723   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19724   result = (OpenBabel::OBFingerprint **) &OpenBabel::OBFingerprint::Default();
19725   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_p_OpenBabel__OBFingerprint, R_SWIG_EXTERNAL |  0 );
19726   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFingerprint_FindType(SEXP ID)19727 SWIGEXPORT SEXP R_swig_OBFingerprint_FindType ( SEXP ID) { OpenBabel::OBFingerprint *result = 0 ; char *arg1 = (char *) 0 ;
19728   int res1 ; char *buf1 = 0 ; int alloc1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
19729   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_AsCharPtrAndSize(ID, &buf1, NULL, &alloc1); if (!SWIG_IsOK(res1)) {
19730     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFingerprint_FindType" "', argument " "1"" of type '" "char const *""'"); }
19731    arg1 = reinterpret_cast< char * >(buf1);
19732   result = (OpenBabel::OBFingerprint *)OpenBabel::OBFingerprint::FindType((char const *)arg1);
19733   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBFingerprint, R_SWIG_EXTERNAL |  0 );
19734   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBFingerprint(SEXP self)19735 SWIGEXPORT SEXP R_swig_delete_OBFingerprint ( SEXP self) { OpenBabel::OBFingerprint *arg1 = (OpenBabel::OBFingerprint *) 0 ;
19736   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19737   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFingerprint, SWIG_POINTER_DISOWN |  0 );
19738   if (!SWIG_IsOK(res1)) {
19739     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBFingerprint" "', argument " "1"" of type '" "OpenBabel::OBFingerprint *""'");  }
19740    arg1 = reinterpret_cast< OpenBabel::OBFingerprint * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
19741   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBFingerprint_SetBit(SEXP self,SEXP vec,SEXP n)19742 SWIGEXPORT SEXP R_swig_OBFingerprint_SetBit ( SEXP self, SEXP vec, SEXP n) {
19743   OpenBabel::OBFingerprint *arg1 = (OpenBabel::OBFingerprint *) 0 ;
19744   std::vector< unsigned int,std::allocator< unsigned int > > *arg2 = 0 ; unsigned int arg3 ; void *argp1 = 0 ; int res1 = 0 ;
19745   void *argp2 = 0 ; int res2 = 0 ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
19746   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFingerprint, 0 |  0 );
19747   if (!SWIG_IsOK(res1)) {
19748     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFingerprint_SetBit" "', argument " "1"" of type '" "OpenBabel::OBFingerprint *""'");  }
19749    arg1 = reinterpret_cast< OpenBabel::OBFingerprint * >(argp1);
19750   res2 = SWIG_R_ConvertPtr(vec, &argp2, SWIGTYPE_p_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t,  0 );
19751   if (!SWIG_IsOK(res2)) {
19752     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBFingerprint_SetBit" "', argument " "2"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > &""'");  }
19753    if (!argp2) {
19754     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBFingerprint_SetBit" "', argument " "2"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > &""'"); }
19755    arg2 = reinterpret_cast< std::vector< unsigned int,std::allocator< unsigned int > > * >(argp2);
19756   ecode3 = SWIG_AsVal_int(n, &val3); if (!SWIG_IsOK(ecode3)) {
19757     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "OBFingerprint_SetBit" "', argument " "3"" of type '" "unsigned int""'"); }
19758     arg3 = static_cast< unsigned int >(val3); (arg1)->SetBit(*arg2,arg3); r_ans = R_NilValue; vmaxset(r_vmax);
19759   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFingerprint_GetBit(SEXP self,SEXP vec,SEXP n,SEXP s_swig_copy)19760 SWIGEXPORT SEXP R_swig_OBFingerprint_GetBit ( SEXP self, SEXP vec, SEXP n, SEXP s_swig_copy) { bool result;
19761   OpenBabel::OBFingerprint *arg1 = (OpenBabel::OBFingerprint *) 0 ;
19762   std::vector< unsigned int,std::allocator< unsigned int > > *arg2 = 0 ; unsigned int arg3 ; void *argp1 = 0 ; int res1 = 0 ;
19763   int res2 = SWIG_OLDOBJ ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
19764   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFingerprint, 0 |  0 );
19765   if (!SWIG_IsOK(res1)) {
19766     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFingerprint_GetBit" "', argument " "1"" of type '" "OpenBabel::OBFingerprint *""'");  }
19767    arg1 = reinterpret_cast< OpenBabel::OBFingerprint * >(argp1); {
19768     std::vector<unsigned int,std::allocator< unsigned int > > *ptr = (std::vector<unsigned int,std::allocator< unsigned int > > *)0;
19769     res2 = swig::asptr(vec, &ptr); if (!SWIG_IsOK(res2)) {
19770       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBFingerprint_GetBit" "', argument " "2"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > const &""'"); }
19771      if (!ptr) {
19772       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBFingerprint_GetBit" "', argument " "2"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > const &""'"); }
19773      arg2 = ptr; }  ecode3 = SWIG_AsVal_int(n, &val3); if (!SWIG_IsOK(ecode3)) {
19774     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "OBFingerprint_GetBit" "', argument " "3"" of type '" "unsigned int""'"); }
19775     arg3 = static_cast< unsigned int >(val3);
19776   result = (bool)(arg1)->GetBit((std::vector< unsigned int,std::allocator< unsigned int > > const &)*arg2,arg3);
19777   r_ans = Rf_ScalarLogical(result); if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax);
19778   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFingerprint_Fold(SEXP self,SEXP vec,SEXP nbits)19779 SWIGEXPORT SEXP R_swig_OBFingerprint_Fold ( SEXP self, SEXP vec, SEXP nbits) {
19780   OpenBabel::OBFingerprint *arg1 = (OpenBabel::OBFingerprint *) 0 ;
19781   std::vector< unsigned int,std::allocator< unsigned int > > *arg2 = 0 ; unsigned int arg3 ; void *argp1 = 0 ; int res1 = 0 ;
19782   void *argp2 = 0 ; int res2 = 0 ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
19783   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFingerprint, 0 |  0 );
19784   if (!SWIG_IsOK(res1)) {
19785     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFingerprint_Fold" "', argument " "1"" of type '" "OpenBabel::OBFingerprint *""'");  }
19786    arg1 = reinterpret_cast< OpenBabel::OBFingerprint * >(argp1);
19787   res2 = SWIG_R_ConvertPtr(vec, &argp2, SWIGTYPE_p_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t,  0 );
19788   if (!SWIG_IsOK(res2)) {
19789     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBFingerprint_Fold" "', argument " "2"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > &""'");  }
19790    if (!argp2) {
19791     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBFingerprint_Fold" "', argument " "2"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > &""'"); }
19792    arg2 = reinterpret_cast< std::vector< unsigned int,std::allocator< unsigned int > > * >(argp2);
19793   ecode3 = SWIG_AsVal_int(nbits, &val3); if (!SWIG_IsOK(ecode3)) {
19794     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "OBFingerprint_Fold" "', argument " "3"" of type '" "unsigned int""'"); }
19795     arg3 = static_cast< unsigned int >(val3); (arg1)->Fold(*arg2,arg3); r_ans = R_NilValue; vmaxset(r_vmax);
19796   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFingerprint_GetFingerprint__SWIG_0(SEXP self,SEXP pOb,SEXP fp,SEXP nbits,SEXP s_swig_copy)19797 SWIGEXPORT SEXP R_swig_OBFingerprint_GetFingerprint__SWIG_0 ( SEXP self, SEXP pOb, SEXP fp, SEXP nbits, SEXP s_swig_copy) {
19798   bool result; OpenBabel::OBFingerprint *arg1 = (OpenBabel::OBFingerprint *) 0 ;
19799   OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ; std::vector< unsigned int,std::allocator< unsigned int > > *arg3 = 0 ;
19800   int arg4 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ;
19801   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19802   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFingerprint, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19803     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFingerprint_GetFingerprint" "', argument " "1"" of type '" "OpenBabel::OBFingerprint *""'");  }
19804    arg1 = reinterpret_cast< OpenBabel::OBFingerprint * >(argp1);
19805   res2 = SWIG_R_ConvertPtr(pOb, &argp2, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res2)) {
19806     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBFingerprint_GetFingerprint" "', argument " "2"" of type '" "OpenBabel::OBBase *""'");  }
19807    arg2 = reinterpret_cast< OpenBabel::OBBase * >(argp2);
19808   res3 = SWIG_R_ConvertPtr(fp, &argp3, SWIGTYPE_p_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t,  0 );
19809   if (!SWIG_IsOK(res3)) {
19810     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBFingerprint_GetFingerprint" "', argument " "3"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > &""'");  }
19811    if (!argp3) {
19812     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBFingerprint_GetFingerprint" "', argument " "3"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > &""'"); }
19813    arg3 = reinterpret_cast< std::vector< unsigned int,std::allocator< unsigned int > > * >(argp3);
19814   arg4 = static_cast< int >(INTEGER(nbits)[0]); result = (bool)(arg1)->GetFingerprint(arg2,*arg3,arg4);
19815   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFingerprint_GetFingerprint__SWIG_1(SEXP self,SEXP pOb,SEXP fp,SEXP s_swig_copy)19816 SWIGEXPORT SEXP R_swig_OBFingerprint_GetFingerprint__SWIG_1 ( SEXP self, SEXP pOb, SEXP fp, SEXP s_swig_copy) { bool result;
19817   OpenBabel::OBFingerprint *arg1 = (OpenBabel::OBFingerprint *) 0 ; OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ;
19818   std::vector< unsigned int,std::allocator< unsigned int > > *arg3 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
19819   int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
19820   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFingerprint, 0 |  0 );
19821   if (!SWIG_IsOK(res1)) {
19822     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFingerprint_GetFingerprint" "', argument " "1"" of type '" "OpenBabel::OBFingerprint *""'");  }
19823    arg1 = reinterpret_cast< OpenBabel::OBFingerprint * >(argp1);
19824   res2 = SWIG_R_ConvertPtr(pOb, &argp2, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res2)) {
19825     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBFingerprint_GetFingerprint" "', argument " "2"" of type '" "OpenBabel::OBBase *""'");  }
19826    arg2 = reinterpret_cast< OpenBabel::OBBase * >(argp2);
19827   res3 = SWIG_R_ConvertPtr(fp, &argp3, SWIGTYPE_p_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t,  0 );
19828   if (!SWIG_IsOK(res3)) {
19829     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBFingerprint_GetFingerprint" "', argument " "3"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > &""'");  }
19830    if (!argp3) {
19831     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBFingerprint_GetFingerprint" "', argument " "3"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > &""'"); }
19832    arg3 = reinterpret_cast< std::vector< unsigned int,std::allocator< unsigned int > > * >(argp3);
19833   result = (bool)(arg1)->GetFingerprint(arg2,*arg3); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
19834   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFingerprint_Flags(SEXP self,SEXP s_swig_copy)19835 SWIGEXPORT SEXP R_swig_OBFingerprint_Flags ( SEXP self, SEXP s_swig_copy) { unsigned int result;
19836   OpenBabel::OBFingerprint *arg1 = (OpenBabel::OBFingerprint *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
19837   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19838   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFingerprint, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19839     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFingerprint_Flags" "', argument " "1"" of type '" "OpenBabel::OBFingerprint *""'");  }
19840    arg1 = reinterpret_cast< OpenBabel::OBFingerprint * >(argp1); result = (unsigned int)(arg1)->Flags();
19841   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFingerprint_SetFlags(SEXP self,SEXP s_arg2)19842 SWIGEXPORT SEXP R_swig_OBFingerprint_SetFlags ( SEXP self, SEXP s_arg2) {
19843   OpenBabel::OBFingerprint *arg1 = (OpenBabel::OBFingerprint *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
19844   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19845   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFingerprint, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19846     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFingerprint_SetFlags" "', argument " "1"" of type '" "OpenBabel::OBFingerprint *""'");  }
19847    arg1 = reinterpret_cast< OpenBabel::OBFingerprint * >(argp1); ecode2 = SWIG_AsVal_int(s_arg2, &val2);
19848   if (!SWIG_IsOK(ecode2)) {
19849     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBFingerprint_SetFlags" "', argument " "2"" of type '" "unsigned int""'"); }
19850     arg2 = static_cast< unsigned int >(val2); (arg1)->SetFlags(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
19851   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFingerprint_DescribeBits__SWIG_0(SEXP self,SEXP s_arg2,SEXP s_arg3,SEXP s_swig_copy)19852 SWIGEXPORT SEXP R_swig_OBFingerprint_DescribeBits__SWIG_0 ( SEXP self, SEXP s_arg2, SEXP s_arg3, SEXP s_swig_copy) {
19853   std::string result; OpenBabel::OBFingerprint *arg1 = (OpenBabel::OBFingerprint *) 0 ;
19854   std::vector< unsigned int,std::allocator< unsigned int > > arg2 ; bool arg3 ; void *argp1 = 0 ; int res1 = 0 ;
19855   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19856   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFingerprint, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19857     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFingerprint_DescribeBits" "', argument " "1"" of type '" "OpenBabel::OBFingerprint *""'");  }
19858    arg1 = reinterpret_cast< OpenBabel::OBFingerprint * >(argp1); {
19859     std::vector<unsigned int,std::allocator< unsigned int > > *ptr = (std::vector<unsigned int,std::allocator< unsigned int > > *)0;
19860     int res = swig::asptr(s_arg2, &ptr); if (!SWIG_IsOK(res) || !ptr) {
19861       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBFingerprint_DescribeBits" "', argument " "2"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > const""'");  }
19862      arg2 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  arg3 = LOGICAL(s_arg3)[0] ? true : false;
19863   result = (arg1)->DescribeBits(arg2,arg3); r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax);
19864   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFingerprint_DescribeBits__SWIG_1(SEXP self,SEXP s_arg2,SEXP s_swig_copy)19865 SWIGEXPORT SEXP R_swig_OBFingerprint_DescribeBits__SWIG_1 ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { std::string result;
19866   OpenBabel::OBFingerprint *arg1 = (OpenBabel::OBFingerprint *) 0 ;
19867   std::vector< unsigned int,std::allocator< unsigned int > > arg2 ; void *argp1 = 0 ; int res1 = 0 ;
19868   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19869   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFingerprint, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19870     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFingerprint_DescribeBits" "', argument " "1"" of type '" "OpenBabel::OBFingerprint *""'");  }
19871    arg1 = reinterpret_cast< OpenBabel::OBFingerprint * >(argp1); {
19872     std::vector<unsigned int,std::allocator< unsigned int > > *ptr = (std::vector<unsigned int,std::allocator< unsigned int > > *)0;
19873     int res = swig::asptr(s_arg2, &ptr); if (!SWIG_IsOK(res) || !ptr) {
19874       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBFingerprint_DescribeBits" "', argument " "2"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > const""'");  }
19875      arg2 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  result = (arg1)->DescribeBits(arg2);
19876   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
19877   return r_ans; }
R_swig_OBFingerprint_Tanimoto__SWIG_0(SEXP vec1,SEXP vec2,SEXP s_swig_copy)19878 SWIGEXPORT SEXP R_swig_OBFingerprint_Tanimoto__SWIG_0 ( SEXP vec1, SEXP vec2, SEXP s_swig_copy) { double result;
19879   std::vector< unsigned int,std::allocator< unsigned int > > *arg1 = 0 ;
19880   std::vector< unsigned int,std::allocator< unsigned int > > *arg2 = 0 ; int res1 = SWIG_OLDOBJ ; int res2 = SWIG_OLDOBJ ;
19881   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; {
19882     std::vector<unsigned int,std::allocator< unsigned int > > *ptr = (std::vector<unsigned int,std::allocator< unsigned int > > *)0;
19883     res1 = swig::asptr(vec1, &ptr); if (!SWIG_IsOK(res1)) {
19884       SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFingerprint_Tanimoto" "', argument " "1"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > const &""'"); }
19885      if (!ptr) {
19886       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBFingerprint_Tanimoto" "', argument " "1"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > const &""'"); }
19887      arg1 = ptr; }  {
19888     std::vector<unsigned int,std::allocator< unsigned int > > *ptr = (std::vector<unsigned int,std::allocator< unsigned int > > *)0;
19889     res2 = swig::asptr(vec2, &ptr); if (!SWIG_IsOK(res2)) {
19890       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBFingerprint_Tanimoto" "', argument " "2"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > const &""'"); }
19891      if (!ptr) {
19892       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBFingerprint_Tanimoto" "', argument " "2"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > const &""'"); }
19893      arg2 = ptr; }
19894   result = (double)OpenBabel::OBFingerprint::Tanimoto((std::vector< unsigned int,std::allocator< unsigned int > > const &)*arg1,(std::vector< unsigned int,std::allocator< unsigned int > > const &)*arg2);
19895   r_ans = SWIG_From_double(static_cast< double >(result)); if (SWIG_IsNewObj(res1)) delete arg1;
19896   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFingerprint_Tanimoto__SWIG_1(SEXP vec1,SEXP p2,SEXP s_swig_copy)19897 SWIGEXPORT SEXP R_swig_OBFingerprint_Tanimoto__SWIG_1 ( SEXP vec1, SEXP p2, SEXP s_swig_copy) { double result;
19898   std::vector< unsigned int,std::allocator< unsigned int > > *arg1 = 0 ; unsigned int *arg2 = (unsigned int *) 0 ;
19899   int res1 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; {
19900     std::vector<unsigned int,std::allocator< unsigned int > > *ptr = (std::vector<unsigned int,std::allocator< unsigned int > > *)0;
19901     res1 = swig::asptr(vec1, &ptr); if (!SWIG_IsOK(res1)) {
19902       SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFingerprint_Tanimoto" "', argument " "1"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > const &""'"); }
19903      if (!ptr) {
19904       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBFingerprint_Tanimoto" "', argument " "1"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > const &""'"); }
19905      arg1 = ptr; }  { { int _rswigi; int _rswiglen = LENGTH(p2);
19906       arg2 = static_cast< unsigned int * >(calloc(sizeof(unsigned int), _rswiglen));
19907       for (_rswigi=0; _rswigi< _rswiglen; _rswigi++) { arg2[_rswigi] = INTEGER(p2)[_rswigi]; }  }  }
19908   result = (double)OpenBabel::OBFingerprint::Tanimoto((std::vector< unsigned int,std::allocator< unsigned int > > const &)*arg1,(unsigned int const *)arg2);
19909   r_ans = SWIG_From_double(static_cast< double >(result)); if (SWIG_IsNewObj(res1)) delete arg1; free(arg2); vmaxset(r_vmax);
19910   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFingerprint_Getbitsperint(SEXP s_swig_copy)19911 SWIGEXPORT SEXP R_swig_OBFingerprint_Getbitsperint ( SEXP s_swig_copy) { unsigned int result; unsigned int r_nprotect = 0;
19912   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (unsigned int)OpenBabel::OBFingerprint::Getbitsperint();
19913   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFingerprint_FindFingerprint(SEXP ID)19914 SWIGEXPORT SEXP R_swig_OBFingerprint_FindFingerprint ( SEXP ID) { OpenBabel::OBFingerprint *result = 0 ;
19915   char *arg1 = (char *) 0 ; int res1 ; char *buf1 = 0 ; int alloc1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
19916   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_AsCharPtrAndSize(ID, &buf1, NULL, &alloc1); if (!SWIG_IsOK(res1)) {
19917     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFingerprint_FindFingerprint" "', argument " "1"" of type '" "char const *""'"); }
19918    arg1 = reinterpret_cast< char * >(buf1);
19919   result = (OpenBabel::OBFingerprint *)OpenBabel::OBFingerprint::FindFingerprint((char const *)arg1);
19920   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBFingerprint, R_SWIG_EXTERNAL |  0 );
19921   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_FptIndexHeader_headerlength_set(SEXP self,SEXP s_headerlength)19922 SWIGEXPORT SEXP R_swig_FptIndexHeader_headerlength_set ( SEXP self, SEXP s_headerlength) {
19923   OpenBabel::FptIndexHeader *arg1 = (OpenBabel::FptIndexHeader *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
19924   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19925   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__FptIndexHeader, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19926     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "FptIndexHeader_headerlength_set" "', argument " "1"" of type '" "OpenBabel::FptIndexHeader *""'");  }
19927    arg1 = reinterpret_cast< OpenBabel::FptIndexHeader * >(argp1); ecode2 = SWIG_AsVal_int(s_headerlength, &val2);
19928   if (!SWIG_IsOK(ecode2)) {
19929     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "FptIndexHeader_headerlength_set" "', argument " "2"" of type '" "unsigned int""'"); }
19930     arg2 = static_cast< unsigned int >(val2); if (arg1) (arg1)->headerlength = arg2; r_ans = R_NilValue; vmaxset(r_vmax);
19931   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_FptIndexHeader_headerlength_get(SEXP self,SEXP s_swig_copy)19932 SWIGEXPORT SEXP R_swig_FptIndexHeader_headerlength_get ( SEXP self, SEXP s_swig_copy) { unsigned int result;
19933   OpenBabel::FptIndexHeader *arg1 = (OpenBabel::FptIndexHeader *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
19934   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19935   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__FptIndexHeader, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19936     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "FptIndexHeader_headerlength_get" "', argument " "1"" of type '" "OpenBabel::FptIndexHeader *""'");  }
19937    arg1 = reinterpret_cast< OpenBabel::FptIndexHeader * >(argp1); result = (unsigned int) ((arg1)->headerlength);
19938   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_FptIndexHeader_nEntries_set(SEXP self,SEXP s_nEntries)19939 SWIGEXPORT SEXP R_swig_FptIndexHeader_nEntries_set ( SEXP self, SEXP s_nEntries) {
19940   OpenBabel::FptIndexHeader *arg1 = (OpenBabel::FptIndexHeader *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
19941   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19942   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__FptIndexHeader, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19943     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "FptIndexHeader_nEntries_set" "', argument " "1"" of type '" "OpenBabel::FptIndexHeader *""'");  }
19944    arg1 = reinterpret_cast< OpenBabel::FptIndexHeader * >(argp1); ecode2 = SWIG_AsVal_int(s_nEntries, &val2);
19945   if (!SWIG_IsOK(ecode2)) {
19946     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "FptIndexHeader_nEntries_set" "', argument " "2"" of type '" "unsigned int""'"); }
19947     arg2 = static_cast< unsigned int >(val2); if (arg1) (arg1)->nEntries = arg2; r_ans = R_NilValue; vmaxset(r_vmax);
19948   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_FptIndexHeader_nEntries_get(SEXP self,SEXP s_swig_copy)19949 SWIGEXPORT SEXP R_swig_FptIndexHeader_nEntries_get ( SEXP self, SEXP s_swig_copy) { unsigned int result;
19950   OpenBabel::FptIndexHeader *arg1 = (OpenBabel::FptIndexHeader *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
19951   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19952   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__FptIndexHeader, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19953     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "FptIndexHeader_nEntries_get" "', argument " "1"" of type '" "OpenBabel::FptIndexHeader *""'");  }
19954    arg1 = reinterpret_cast< OpenBabel::FptIndexHeader * >(argp1); result = (unsigned int) ((arg1)->nEntries);
19955   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_FptIndexHeader_words_set(SEXP self,SEXP s_words)19956 SWIGEXPORT SEXP R_swig_FptIndexHeader_words_set ( SEXP self, SEXP s_words) {
19957   OpenBabel::FptIndexHeader *arg1 = (OpenBabel::FptIndexHeader *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
19958   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19959   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__FptIndexHeader, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19960     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "FptIndexHeader_words_set" "', argument " "1"" of type '" "OpenBabel::FptIndexHeader *""'");  }
19961    arg1 = reinterpret_cast< OpenBabel::FptIndexHeader * >(argp1); ecode2 = SWIG_AsVal_int(s_words, &val2);
19962   if (!SWIG_IsOK(ecode2)) {
19963     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "FptIndexHeader_words_set" "', argument " "2"" of type '" "unsigned int""'"); }
19964     arg2 = static_cast< unsigned int >(val2); if (arg1) (arg1)->words = arg2; r_ans = R_NilValue; vmaxset(r_vmax);
19965   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_FptIndexHeader_words_get(SEXP self,SEXP s_swig_copy)19966 SWIGEXPORT SEXP R_swig_FptIndexHeader_words_get ( SEXP self, SEXP s_swig_copy) { unsigned int result;
19967   OpenBabel::FptIndexHeader *arg1 = (OpenBabel::FptIndexHeader *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
19968   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19969   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__FptIndexHeader, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19970     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "FptIndexHeader_words_get" "', argument " "1"" of type '" "OpenBabel::FptIndexHeader *""'");  }
19971    arg1 = reinterpret_cast< OpenBabel::FptIndexHeader * >(argp1); result = (unsigned int) ((arg1)->words);
19972   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_FptIndexHeader_fpid_set(SEXP self,SEXP s_fpid)19973 SWIGEXPORT SEXP R_swig_FptIndexHeader_fpid_set ( SEXP self, SEXP s_fpid) {
19974   OpenBabel::FptIndexHeader *arg1 = (OpenBabel::FptIndexHeader *) 0 ; char *arg2 ; void *argp1 = 0 ; int res1 = 0 ;
19975   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19976   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__FptIndexHeader, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19977     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "FptIndexHeader_fpid_set" "', argument " "1"" of type '" "OpenBabel::FptIndexHeader *""'");  }
19978    arg1 = reinterpret_cast< OpenBabel::FptIndexHeader * >(argp1); arg2 = SWIG_strdup(CHAR(STRING_ELT(s_fpid, 0)));
19979   if (arg2) memcpy(arg1->fpid,arg2,16*sizeof(char)); else memset(arg1->fpid,0,16*sizeof(char)); r_ans = R_NilValue; free(arg2);
19980   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_FptIndexHeader_fpid_get(SEXP self,SEXP s_swig_copy)19981 SWIGEXPORT SEXP R_swig_FptIndexHeader_fpid_get ( SEXP self, SEXP s_swig_copy) { char *result = 0 ;
19982   OpenBabel::FptIndexHeader *arg1 = (OpenBabel::FptIndexHeader *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
19983   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19984   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__FptIndexHeader, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19985     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "FptIndexHeader_fpid_get" "', argument " "1"" of type '" "OpenBabel::FptIndexHeader *""'");  }
19986    arg1 = reinterpret_cast< OpenBabel::FptIndexHeader * >(argp1); result = (char *)(char *) ((arg1)->fpid); { size_t size = 16;
19987     while (size && (result[size - 1] == '\0')) --size; r_ans = SWIG_FromCharPtrAndSize(result, size); }  vmaxset(r_vmax);
19988   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_FptIndexHeader_datafilename_set(SEXP self,SEXP s_datafilename)19989 SWIGEXPORT SEXP R_swig_FptIndexHeader_datafilename_set ( SEXP self, SEXP s_datafilename) {
19990   OpenBabel::FptIndexHeader *arg1 = (OpenBabel::FptIndexHeader *) 0 ; char *arg2 ; void *argp1 = 0 ; int res1 = 0 ;
19991   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
19992   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__FptIndexHeader, 0 |  0 ); if (!SWIG_IsOK(res1)) {
19993     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "FptIndexHeader_datafilename_set" "', argument " "1"" of type '" "OpenBabel::FptIndexHeader *""'");  }
19994    arg1 = reinterpret_cast< OpenBabel::FptIndexHeader * >(argp1); arg2 = SWIG_strdup(CHAR(STRING_ELT(s_datafilename, 0)));
19995   if (arg2) memcpy(arg1->datafilename,arg2,256*sizeof(char)); else memset(arg1->datafilename,0,256*sizeof(char));
19996   r_ans = R_NilValue; free(arg2); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_FptIndexHeader_datafilename_get(SEXP self,SEXP s_swig_copy)19997 SWIGEXPORT SEXP R_swig_FptIndexHeader_datafilename_get ( SEXP self, SEXP s_swig_copy) { char *result = 0 ;
19998   OpenBabel::FptIndexHeader *arg1 = (OpenBabel::FptIndexHeader *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
19999   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20000   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__FptIndexHeader, 0 |  0 ); if (!SWIG_IsOK(res1)) {
20001     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "FptIndexHeader_datafilename_get" "', argument " "1"" of type '" "OpenBabel::FptIndexHeader *""'");  }
20002    arg1 = reinterpret_cast< OpenBabel::FptIndexHeader * >(argp1); result = (char *)(char *) ((arg1)->datafilename); {
20003     size_t size = 256; while (size && (result[size - 1] == '\0')) --size; r_ans = SWIG_FromCharPtrAndSize(result, size); }
20004   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_FptIndexHeader()20005 SWIGEXPORT SEXP R_swig_new_FptIndexHeader ( ) { OpenBabel::FptIndexHeader *result = 0 ; unsigned int r_nprotect = 0;
20006   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::FptIndexHeader *)new OpenBabel::FptIndexHeader();
20007   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__FptIndexHeader, R_SWIG_OWNER |  0 );
20008   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_FptIndexHeader(SEXP self)20009 SWIGEXPORT SEXP R_swig_delete_FptIndexHeader ( SEXP self) { OpenBabel::FptIndexHeader *arg1 = (OpenBabel::FptIndexHeader *) 0 ;
20010   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20011   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__FptIndexHeader, SWIG_POINTER_DISOWN |  0 );
20012   if (!SWIG_IsOK(res1)) {
20013     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_FptIndexHeader" "', argument " "1"" of type '" "OpenBabel::FptIndexHeader *""'");  }
20014    arg1 = reinterpret_cast< OpenBabel::FptIndexHeader * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
20015   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_FastSearch_ReadIndexFile(SEXP self,SEXP IndexFilename,SEXP s_swig_copy)20016 SWIGEXPORT SEXP R_swig_FastSearch_ReadIndexFile ( SEXP self, SEXP IndexFilename, SEXP s_swig_copy) { std::string result;
20017   OpenBabel::FastSearch *arg1 = (OpenBabel::FastSearch *) 0 ; std::string arg2 ; void *argp1 = 0 ; int res1 = 0 ;
20018   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20019   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__FastSearch, 0 |  0 ); if (!SWIG_IsOK(res1)) {
20020     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "FastSearch_ReadIndexFile" "', argument " "1"" of type '" "OpenBabel::FastSearch *""'");  }
20021    arg1 = reinterpret_cast< OpenBabel::FastSearch * >(argp1); { std::string *ptr = (std::string *)0;
20022     int res = SWIG_AsPtr_std_string(IndexFilename, &ptr); if (!SWIG_IsOK(res) || !ptr) {
20023       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "FastSearch_ReadIndexFile" "', argument " "2"" of type '" "std::string""'");  }
20024      arg2 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  result = (arg1)->ReadIndexFile(arg2);
20025   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
20026   return r_ans; }
R_swig_FastSearch_ReadIndex(SEXP self,SEXP pIndexstream,SEXP s_swig_copy)20027 SWIGEXPORT SEXP R_swig_FastSearch_ReadIndex ( SEXP self, SEXP pIndexstream, SEXP s_swig_copy) { std::string result;
20028   OpenBabel::FastSearch *arg1 = (OpenBabel::FastSearch *) 0 ; std::istream *arg2 = (std::istream *) 0 ; void *argp1 = 0 ;
20029   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
20030   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__FastSearch, 0 |  0 );
20031   if (!SWIG_IsOK(res1)) {
20032     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "FastSearch_ReadIndex" "', argument " "1"" of type '" "OpenBabel::FastSearch *""'");  }
20033    arg1 = reinterpret_cast< OpenBabel::FastSearch * >(argp1);
20034   res2 = SWIG_R_ConvertPtr(pIndexstream, &argp2, SWIGTYPE_p_std__istream, 0 |  0 ); if (!SWIG_IsOK(res2)) {
20035     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "FastSearch_ReadIndex" "', argument " "2"" of type '" "std::istream *""'");  }
20036    arg2 = reinterpret_cast< std::istream * >(argp2); result = (arg1)->ReadIndex(arg2);
20037   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
20038   return r_ans; }
R_swig_delete_FastSearch(SEXP self)20039 SWIGEXPORT SEXP R_swig_delete_FastSearch ( SEXP self) { OpenBabel::FastSearch *arg1 = (OpenBabel::FastSearch *) 0 ;
20040   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20041   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__FastSearch, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
20042     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_FastSearch" "', argument " "1"" of type '" "OpenBabel::FastSearch *""'");  }
20043    arg1 = reinterpret_cast< OpenBabel::FastSearch * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
20044   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_FastSearch_Find(SEXP self,SEXP pOb,SEXP SeekPositions,SEXP MaxCandidates,SEXP s_swig_copy)20045 SWIGEXPORT SEXP R_swig_FastSearch_Find ( SEXP self, SEXP pOb, SEXP SeekPositions, SEXP MaxCandidates, SEXP s_swig_copy) {
20046   bool result; OpenBabel::FastSearch *arg1 = (OpenBabel::FastSearch *) 0 ; OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ;
20047   std::vector< unsigned int,std::allocator< unsigned int > > *arg3 = 0 ; unsigned int arg4 ; void *argp1 = 0 ; int res1 = 0 ;
20048   void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; int val4 ; int ecode4 = 0 ; unsigned int r_nprotect = 0;
20049   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20050   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__FastSearch, 0 |  0 ); if (!SWIG_IsOK(res1)) {
20051     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "FastSearch_Find" "', argument " "1"" of type '" "OpenBabel::FastSearch *""'");  }
20052    arg1 = reinterpret_cast< OpenBabel::FastSearch * >(argp1);
20053   res2 = SWIG_R_ConvertPtr(pOb, &argp2, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res2)) {
20054     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "FastSearch_Find" "', argument " "2"" of type '" "OpenBabel::OBBase *""'");  }
20055    arg2 = reinterpret_cast< OpenBabel::OBBase * >(argp2);
20056   res3 = SWIG_R_ConvertPtr(SeekPositions, &argp3, SWIGTYPE_p_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t,  0 );
20057   if (!SWIG_IsOK(res3)) {
20058     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "FastSearch_Find" "', argument " "3"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > &""'");  }
20059    if (!argp3) {
20060     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "FastSearch_Find" "', argument " "3"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > &""'"); }
20061    arg3 = reinterpret_cast< std::vector< unsigned int,std::allocator< unsigned int > > * >(argp3);
20062   ecode4 = SWIG_AsVal_int(MaxCandidates, &val4); if (!SWIG_IsOK(ecode4)) {
20063     SWIG_exception_fail(SWIG_ArgError(ecode4), "in method '" "FastSearch_Find" "', argument " "4"" of type '" "unsigned int""'"); }
20064     arg4 = static_cast< unsigned int >(val4); result = (bool)(arg1)->Find(arg2,*arg3,arg4); r_ans = Rf_ScalarLogical(result);
20065   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_FastSearch_FindMatch(SEXP self,SEXP pOb,SEXP SeekPositions,SEXP MaxCandidates,SEXP s_swig_copy)20066 SWIGEXPORT SEXP R_swig_FastSearch_FindMatch ( SEXP self, SEXP pOb, SEXP SeekPositions, SEXP MaxCandidates, SEXP s_swig_copy) {
20067   bool result; OpenBabel::FastSearch *arg1 = (OpenBabel::FastSearch *) 0 ; OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ;
20068   std::vector< unsigned int,std::allocator< unsigned int > > *arg3 = 0 ; unsigned int arg4 ; void *argp1 = 0 ; int res1 = 0 ;
20069   void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; int val4 ; int ecode4 = 0 ; unsigned int r_nprotect = 0;
20070   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20071   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__FastSearch, 0 |  0 ); if (!SWIG_IsOK(res1)) {
20072     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "FastSearch_FindMatch" "', argument " "1"" of type '" "OpenBabel::FastSearch *""'");  }
20073    arg1 = reinterpret_cast< OpenBabel::FastSearch * >(argp1);
20074   res2 = SWIG_R_ConvertPtr(pOb, &argp2, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res2)) {
20075     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "FastSearch_FindMatch" "', argument " "2"" of type '" "OpenBabel::OBBase *""'");  }
20076    arg2 = reinterpret_cast< OpenBabel::OBBase * >(argp2);
20077   res3 = SWIG_R_ConvertPtr(SeekPositions, &argp3, SWIGTYPE_p_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t,  0 );
20078   if (!SWIG_IsOK(res3)) {
20079     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "FastSearch_FindMatch" "', argument " "3"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > &""'");  }
20080    if (!argp3) {
20081     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "FastSearch_FindMatch" "', argument " "3"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > &""'"); }
20082    arg3 = reinterpret_cast< std::vector< unsigned int,std::allocator< unsigned int > > * >(argp3);
20083   ecode4 = SWIG_AsVal_int(MaxCandidates, &val4); if (!SWIG_IsOK(ecode4)) {
20084     SWIG_exception_fail(SWIG_ArgError(ecode4), "in method '" "FastSearch_FindMatch" "', argument " "4"" of type '" "unsigned int""'"); }
20085     arg4 = static_cast< unsigned int >(val4); result = (bool)(arg1)->FindMatch(arg2,*arg3,arg4);
20086   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
20087 SWIGEXPORT SEXP
R_swig_FastSearch_FindSimilar__SWIG_0(SEXP self,SEXP pOb,SEXP SeekposMap,SEXP MinTani,SEXP MaxTani,SEXP s_swig_copy)20088 R_swig_FastSearch_FindSimilar__SWIG_0 ( SEXP self, SEXP pOb, SEXP SeekposMap, SEXP MinTani, SEXP MaxTani, SEXP s_swig_copy) {
20089   bool result; OpenBabel::FastSearch *arg1 = (OpenBabel::FastSearch *) 0 ; OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ;
20090   std::multimap< double,unsigned int > *arg3 = 0 ; double arg4 ; double arg5 ; void *argp1 = 0 ; int res1 = 0 ;
20091   void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
20092   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__FastSearch, 0 |  0 );
20093   if (!SWIG_IsOK(res1)) {
20094     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "FastSearch_FindSimilar" "', argument " "1"" of type '" "OpenBabel::FastSearch *""'");  }
20095    arg1 = reinterpret_cast< OpenBabel::FastSearch * >(argp1);
20096   res2 = SWIG_R_ConvertPtr(pOb, &argp2, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res2)) {
20097     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "FastSearch_FindSimilar" "', argument " "2"" of type '" "OpenBabel::OBBase *""'");  }
20098    arg2 = reinterpret_cast< OpenBabel::OBBase * >(argp2);
20099   res3 = SWIG_R_ConvertPtr(SeekposMap, &argp3, SWIGTYPE_p_std__multimapT_double_unsigned_int_t,  0 ); if (!SWIG_IsOK(res3)) {
20100     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "FastSearch_FindSimilar" "', argument " "3"" of type '" "std::multimap< double,unsigned int > &""'");  }
20101    if (!argp3) {
20102     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "FastSearch_FindSimilar" "', argument " "3"" of type '" "std::multimap< double,unsigned int > &""'"); }
20103    arg3 = reinterpret_cast< std::multimap< double,unsigned int > * >(argp3); arg4 = static_cast< double >(REAL(MinTani)[0]);
20104   arg5 = static_cast< double >(REAL(MaxTani)[0]); result = (bool)(arg1)->FindSimilar(arg2,*arg3,arg4,arg5);
20105   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_FastSearch_FindSimilar__SWIG_1(SEXP self,SEXP pOb,SEXP SeekposMap,SEXP MinTani,SEXP s_swig_copy)20106 SWIGEXPORT SEXP R_swig_FastSearch_FindSimilar__SWIG_1 ( SEXP self, SEXP pOb, SEXP SeekposMap, SEXP MinTani, SEXP s_swig_copy) {
20107   bool result; OpenBabel::FastSearch *arg1 = (OpenBabel::FastSearch *) 0 ; OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ;
20108   std::multimap< double,unsigned int > *arg3 = 0 ; double arg4 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
20109   int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
20110   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__FastSearch, 0 |  0 );
20111   if (!SWIG_IsOK(res1)) {
20112     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "FastSearch_FindSimilar" "', argument " "1"" of type '" "OpenBabel::FastSearch *""'");  }
20113    arg1 = reinterpret_cast< OpenBabel::FastSearch * >(argp1);
20114   res2 = SWIG_R_ConvertPtr(pOb, &argp2, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res2)) {
20115     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "FastSearch_FindSimilar" "', argument " "2"" of type '" "OpenBabel::OBBase *""'");  }
20116    arg2 = reinterpret_cast< OpenBabel::OBBase * >(argp2);
20117   res3 = SWIG_R_ConvertPtr(SeekposMap, &argp3, SWIGTYPE_p_std__multimapT_double_unsigned_int_t,  0 ); if (!SWIG_IsOK(res3)) {
20118     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "FastSearch_FindSimilar" "', argument " "3"" of type '" "std::multimap< double,unsigned int > &""'");  }
20119    if (!argp3) {
20120     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "FastSearch_FindSimilar" "', argument " "3"" of type '" "std::multimap< double,unsigned int > &""'"); }
20121    arg3 = reinterpret_cast< std::multimap< double,unsigned int > * >(argp3); arg4 = static_cast< double >(REAL(MinTani)[0]);
20122   result = (bool)(arg1)->FindSimilar(arg2,*arg3,arg4); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
20123   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
20124 SWIGEXPORT SEXP
R_swig_FastSearch_FindSimilar__SWIG_2(SEXP self,SEXP pOb,SEXP SeekposMap,SEXP nCandidates,SEXP s_swig_copy)20125 R_swig_FastSearch_FindSimilar__SWIG_2 ( SEXP self, SEXP pOb, SEXP SeekposMap, SEXP nCandidates, SEXP s_swig_copy) { bool result;
20126   OpenBabel::FastSearch *arg1 = (OpenBabel::FastSearch *) 0 ; OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ;
20127   std::multimap< double,unsigned int > *arg3 = 0 ; int arg4 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
20128   void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20129   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__FastSearch, 0 |  0 ); if (!SWIG_IsOK(res1)) {
20130     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "FastSearch_FindSimilar" "', argument " "1"" of type '" "OpenBabel::FastSearch *""'");  }
20131    arg1 = reinterpret_cast< OpenBabel::FastSearch * >(argp1);
20132   res2 = SWIG_R_ConvertPtr(pOb, &argp2, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res2)) {
20133     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "FastSearch_FindSimilar" "', argument " "2"" of type '" "OpenBabel::OBBase *""'");  }
20134    arg2 = reinterpret_cast< OpenBabel::OBBase * >(argp2);
20135   res3 = SWIG_R_ConvertPtr(SeekposMap, &argp3, SWIGTYPE_p_std__multimapT_double_unsigned_int_t,  0 ); if (!SWIG_IsOK(res3)) {
20136     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "FastSearch_FindSimilar" "', argument " "3"" of type '" "std::multimap< double,unsigned int > &""'");  }
20137    if (!argp3) {
20138     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "FastSearch_FindSimilar" "', argument " "3"" of type '" "std::multimap< double,unsigned int > &""'"); }
20139    arg3 = reinterpret_cast< std::multimap< double,unsigned int > * >(argp3); arg4 = static_cast< int >(INTEGER(nCandidates)[0]);
20140   result = (bool)(arg1)->FindSimilar(arg2,*arg3,arg4); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
20141   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_FastSearch_FindSimilar__SWIG_3(SEXP self,SEXP pOb,SEXP SeekposMap,SEXP s_swig_copy)20142 SWIGEXPORT SEXP R_swig_FastSearch_FindSimilar__SWIG_3 ( SEXP self, SEXP pOb, SEXP SeekposMap, SEXP s_swig_copy) { bool result;
20143   OpenBabel::FastSearch *arg1 = (OpenBabel::FastSearch *) 0 ; OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ;
20144   std::multimap< double,unsigned int > *arg3 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
20145   void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20146   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__FastSearch, 0 |  0 ); if (!SWIG_IsOK(res1)) {
20147     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "FastSearch_FindSimilar" "', argument " "1"" of type '" "OpenBabel::FastSearch *""'");  }
20148    arg1 = reinterpret_cast< OpenBabel::FastSearch * >(argp1);
20149   res2 = SWIG_R_ConvertPtr(pOb, &argp2, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res2)) {
20150     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "FastSearch_FindSimilar" "', argument " "2"" of type '" "OpenBabel::OBBase *""'");  }
20151    arg2 = reinterpret_cast< OpenBabel::OBBase * >(argp2);
20152   res3 = SWIG_R_ConvertPtr(SeekposMap, &argp3, SWIGTYPE_p_std__multimapT_double_unsigned_int_t,  0 ); if (!SWIG_IsOK(res3)) {
20153     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "FastSearch_FindSimilar" "', argument " "3"" of type '" "std::multimap< double,unsigned int > &""'");  }
20154    if (!argp3) {
20155     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "FastSearch_FindSimilar" "', argument " "3"" of type '" "std::multimap< double,unsigned int > &""'"); }
20156    arg3 = reinterpret_cast< std::multimap< double,unsigned int > * >(argp3); result = (bool)(arg1)->FindSimilar(arg2,*arg3);
20157   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_FastSearch_GetFingerprint(SEXP self)20158 SWIGEXPORT SEXP R_swig_FastSearch_GetFingerprint ( SEXP self) { OpenBabel::OBFingerprint *result = 0 ;
20159   OpenBabel::FastSearch *arg1 = (OpenBabel::FastSearch *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
20160   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20161   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__FastSearch, 0 |  0 ); if (!SWIG_IsOK(res1)) {
20162     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "FastSearch_GetFingerprint" "', argument " "1"" of type '" "OpenBabel::FastSearch const *""'");  }
20163    arg1 = reinterpret_cast< OpenBabel::FastSearch * >(argp1);
20164   result = (OpenBabel::OBFingerprint *)((OpenBabel::FastSearch const *)arg1)->GetFingerprint();
20165   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBFingerprint, R_SWIG_EXTERNAL |  0 );
20166   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_FastSearch_GetIndexHeader(SEXP self,SEXP s_swig_copy)20167 SWIGEXPORT SEXP R_swig_FastSearch_GetIndexHeader ( SEXP self, SEXP s_swig_copy) { OpenBabel::FptIndexHeader *result = 0 ;
20168   OpenBabel::FastSearch *arg1 = (OpenBabel::FastSearch *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
20169   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20170   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__FastSearch, 0 |  0 ); if (!SWIG_IsOK(res1)) {
20171     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "FastSearch_GetIndexHeader" "', argument " "1"" of type '" "OpenBabel::FastSearch const *""'");  }
20172    arg1 = reinterpret_cast< OpenBabel::FastSearch * >(argp1);
20173   result = (OpenBabel::FptIndexHeader *) &((OpenBabel::FastSearch const *)arg1)->GetIndexHeader();
20174   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__FptIndexHeader, R_SWIG_EXTERNAL |  0 );
20175   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_FastSearch()20176 SWIGEXPORT SEXP R_swig_new_FastSearch ( ) { OpenBabel::FastSearch *result = 0 ; unsigned int r_nprotect = 0;
20177   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::FastSearch *)new OpenBabel::FastSearch();
20178   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__FastSearch, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
20179   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_FastSearchIndexer__SWIG_0(SEXP datafilename,SEXP os,SEXP fpid,SEXP FptBits,SEXP nmols)20180 SWIGEXPORT SEXP R_swig_new_FastSearchIndexer__SWIG_0 ( SEXP datafilename, SEXP os, SEXP fpid, SEXP FptBits, SEXP nmols) {
20181   OpenBabel::FastSearchIndexer *result = 0 ; std::string *arg1 = 0 ; std::ostream *arg2 = (std::ostream *) 0 ;
20182   std::string *arg3 = 0 ; int arg4 ; int arg5 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
20183   void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20184   res1 = SWIG_R_ConvertPtr(datafilename, &argp1, SWIGTYPE_p_std__string,  0 ); if (!SWIG_IsOK(res1)) {
20185     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_FastSearchIndexer" "', argument " "1"" of type '" "std::string &""'");  }
20186    if (!argp1) {
20187     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_FastSearchIndexer" "', argument " "1"" of type '" "std::string &""'"); }
20188    arg1 = reinterpret_cast< std::string * >(argp1); res2 = SWIG_R_ConvertPtr(os, &argp2, SWIGTYPE_p_std__ostream, 0 |  0 );
20189   if (!SWIG_IsOK(res2)) {
20190     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_FastSearchIndexer" "', argument " "2"" of type '" "std::ostream *""'");  }
20191    arg2 = reinterpret_cast< std::ostream * >(argp2); res3 = SWIG_R_ConvertPtr(fpid, &argp3, SWIGTYPE_p_std__string,  0 );
20192   if (!SWIG_IsOK(res3)) {
20193     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "new_FastSearchIndexer" "', argument " "3"" of type '" "std::string &""'");  }
20194    if (!argp3) {
20195     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_FastSearchIndexer" "', argument " "3"" of type '" "std::string &""'"); }
20196    arg3 = reinterpret_cast< std::string * >(argp3); arg4 = static_cast< int >(INTEGER(FptBits)[0]);
20197   arg5 = static_cast< int >(INTEGER(nmols)[0]);
20198   result = (OpenBabel::FastSearchIndexer *)new OpenBabel::FastSearchIndexer(*arg1,arg2,*arg3,arg4,arg5);
20199   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__FastSearchIndexer, R_SWIG_OWNER |  0 );
20200   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_FastSearchIndexer__SWIG_1(SEXP datafilename,SEXP os,SEXP fpid,SEXP FptBits)20201 SWIGEXPORT SEXP R_swig_new_FastSearchIndexer__SWIG_1 ( SEXP datafilename, SEXP os, SEXP fpid, SEXP FptBits) {
20202   OpenBabel::FastSearchIndexer *result = 0 ; std::string *arg1 = 0 ; std::ostream *arg2 = (std::ostream *) 0 ;
20203   std::string *arg3 = 0 ; int arg4 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ;
20204   int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20205   res1 = SWIG_R_ConvertPtr(datafilename, &argp1, SWIGTYPE_p_std__string,  0 ); if (!SWIG_IsOK(res1)) {
20206     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_FastSearchIndexer" "', argument " "1"" of type '" "std::string &""'");  }
20207    if (!argp1) {
20208     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_FastSearchIndexer" "', argument " "1"" of type '" "std::string &""'"); }
20209    arg1 = reinterpret_cast< std::string * >(argp1); res2 = SWIG_R_ConvertPtr(os, &argp2, SWIGTYPE_p_std__ostream, 0 |  0 );
20210   if (!SWIG_IsOK(res2)) {
20211     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_FastSearchIndexer" "', argument " "2"" of type '" "std::ostream *""'");  }
20212    arg2 = reinterpret_cast< std::ostream * >(argp2); res3 = SWIG_R_ConvertPtr(fpid, &argp3, SWIGTYPE_p_std__string,  0 );
20213   if (!SWIG_IsOK(res3)) {
20214     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "new_FastSearchIndexer" "', argument " "3"" of type '" "std::string &""'");  }
20215    if (!argp3) {
20216     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_FastSearchIndexer" "', argument " "3"" of type '" "std::string &""'"); }
20217    arg3 = reinterpret_cast< std::string * >(argp3); arg4 = static_cast< int >(INTEGER(FptBits)[0]);
20218   result = (OpenBabel::FastSearchIndexer *)new OpenBabel::FastSearchIndexer(*arg1,arg2,*arg3,arg4);
20219   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__FastSearchIndexer, R_SWIG_OWNER |  0 );
20220   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_FastSearchIndexer__SWIG_2(SEXP datafilename,SEXP os,SEXP fpid)20221 SWIGEXPORT SEXP R_swig_new_FastSearchIndexer__SWIG_2 ( SEXP datafilename, SEXP os, SEXP fpid) {
20222   OpenBabel::FastSearchIndexer *result = 0 ; std::string *arg1 = 0 ; std::ostream *arg2 = (std::ostream *) 0 ;
20223   std::string *arg3 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ;
20224   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20225   res1 = SWIG_R_ConvertPtr(datafilename, &argp1, SWIGTYPE_p_std__string,  0 ); if (!SWIG_IsOK(res1)) {
20226     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_FastSearchIndexer" "', argument " "1"" of type '" "std::string &""'");  }
20227    if (!argp1) {
20228     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_FastSearchIndexer" "', argument " "1"" of type '" "std::string &""'"); }
20229    arg1 = reinterpret_cast< std::string * >(argp1); res2 = SWIG_R_ConvertPtr(os, &argp2, SWIGTYPE_p_std__ostream, 0 |  0 );
20230   if (!SWIG_IsOK(res2)) {
20231     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_FastSearchIndexer" "', argument " "2"" of type '" "std::ostream *""'");  }
20232    arg2 = reinterpret_cast< std::ostream * >(argp2); res3 = SWIG_R_ConvertPtr(fpid, &argp3, SWIGTYPE_p_std__string,  0 );
20233   if (!SWIG_IsOK(res3)) {
20234     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "new_FastSearchIndexer" "', argument " "3"" of type '" "std::string &""'");  }
20235    if (!argp3) {
20236     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_FastSearchIndexer" "', argument " "3"" of type '" "std::string &""'"); }
20237    arg3 = reinterpret_cast< std::string * >(argp3);
20238   result = (OpenBabel::FastSearchIndexer *)new OpenBabel::FastSearchIndexer(*arg1,arg2,*arg3);
20239   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__FastSearchIndexer, R_SWIG_OWNER |  0 );
20240   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_FastSearchIndexer__SWIG_3(SEXP pindex,SEXP os,SEXP nmols)20241 SWIGEXPORT SEXP R_swig_new_FastSearchIndexer__SWIG_3 ( SEXP pindex, SEXP os, SEXP nmols) {
20242   OpenBabel::FastSearchIndexer *result = 0 ; OpenBabel::FptIndex *arg1 = (OpenBabel::FptIndex *) 0 ;
20243   std::ostream *arg2 = (std::ostream *) 0 ; int arg3 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
20244   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20245   res1 = SWIG_R_ConvertPtr(pindex, &argp1, SWIGTYPE_p_OpenBabel__FptIndex, 0 |  0 ); if (!SWIG_IsOK(res1)) {
20246     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_FastSearchIndexer" "', argument " "1"" of type '" "OpenBabel::FptIndex *""'");  }
20247    arg1 = reinterpret_cast< OpenBabel::FptIndex * >(argp1);
20248   res2 = SWIG_R_ConvertPtr(os, &argp2, SWIGTYPE_p_std__ostream, 0 |  0 ); if (!SWIG_IsOK(res2)) {
20249     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_FastSearchIndexer" "', argument " "2"" of type '" "std::ostream *""'");  }
20250    arg2 = reinterpret_cast< std::ostream * >(argp2); arg3 = static_cast< int >(INTEGER(nmols)[0]);
20251   result = (OpenBabel::FastSearchIndexer *)new OpenBabel::FastSearchIndexer(arg1,arg2,arg3);
20252   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__FastSearchIndexer, R_SWIG_OWNER |  0 );
20253   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_FastSearchIndexer__SWIG_4(SEXP pindex,SEXP os)20254 SWIGEXPORT SEXP R_swig_new_FastSearchIndexer__SWIG_4 ( SEXP pindex, SEXP os) { OpenBabel::FastSearchIndexer *result = 0 ;
20255   OpenBabel::FptIndex *arg1 = (OpenBabel::FptIndex *) 0 ; std::ostream *arg2 = (std::ostream *) 0 ; void *argp1 = 0 ;
20256   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
20257   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(pindex, &argp1, SWIGTYPE_p_OpenBabel__FptIndex, 0 |  0 );
20258   if (!SWIG_IsOK(res1)) {
20259     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_FastSearchIndexer" "', argument " "1"" of type '" "OpenBabel::FptIndex *""'");  }
20260    arg1 = reinterpret_cast< OpenBabel::FptIndex * >(argp1);
20261   res2 = SWIG_R_ConvertPtr(os, &argp2, SWIGTYPE_p_std__ostream, 0 |  0 ); if (!SWIG_IsOK(res2)) {
20262     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_FastSearchIndexer" "', argument " "2"" of type '" "std::ostream *""'");  }
20263    arg2 = reinterpret_cast< std::ostream * >(argp2);
20264   result = (OpenBabel::FastSearchIndexer *)new OpenBabel::FastSearchIndexer(arg1,arg2);
20265   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__FastSearchIndexer, R_SWIG_OWNER |  0 );
20266   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_FastSearchIndexer(SEXP self)20267 SWIGEXPORT SEXP R_swig_delete_FastSearchIndexer ( SEXP self) {
20268   OpenBabel::FastSearchIndexer *arg1 = (OpenBabel::FastSearchIndexer *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
20269   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20270   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__FastSearchIndexer, SWIG_POINTER_DISOWN |  0 );
20271   if (!SWIG_IsOK(res1)) {
20272     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_FastSearchIndexer" "', argument " "1"" of type '" "OpenBabel::FastSearchIndexer *""'");  }
20273    arg1 = reinterpret_cast< OpenBabel::FastSearchIndexer * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
20274   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_FastSearchIndexer_Add(SEXP self,SEXP pOb,SEXP seekpos,SEXP s_swig_copy)20275 SWIGEXPORT SEXP R_swig_FastSearchIndexer_Add ( SEXP self, SEXP pOb, SEXP seekpos, SEXP s_swig_copy) { bool result;
20276   OpenBabel::FastSearchIndexer *arg1 = (OpenBabel::FastSearchIndexer *) 0 ; OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ;
20277   std::streampos arg3 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 ; int res3 = 0 ;
20278   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20279   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__FastSearchIndexer, 0 |  0 ); if (!SWIG_IsOK(res1)) {
20280     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "FastSearchIndexer_Add" "', argument " "1"" of type '" "OpenBabel::FastSearchIndexer *""'");  }
20281    arg1 = reinterpret_cast< OpenBabel::FastSearchIndexer * >(argp1);
20282   res2 = SWIG_R_ConvertPtr(pOb, &argp2, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res2)) {
20283     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "FastSearchIndexer_Add" "', argument " "2"" of type '" "OpenBabel::OBBase *""'");  }
20284    arg2 = reinterpret_cast< OpenBabel::OBBase * >(argp2); {
20285     res3 = SWIG_R_ConvertPtr(seekpos, &argp3, SWIGTYPE_p_std__streampos,  0 ); if (!SWIG_IsOK(res3)) {
20286       SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "FastSearchIndexer_Add" "', argument " "3"" of type '" "std::streampos""'");  }
20287        if (!argp3) {
20288       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "FastSearchIndexer_Add" "', argument " "3"" of type '" "std::streampos""'"); }
20289      else { arg3 = *(reinterpret_cast< std::streampos * >(argp3)); }  }  result = (bool)(arg1)->Add(arg2,arg3);
20290   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBDescriptor_Default(SEXP s_swig_copy)20291 SWIGEXPORT SEXP R_swig_OBDescriptor_Default ( SEXP s_swig_copy) { OpenBabel::OBDescriptor **result = 0 ;
20292   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20293   result = (OpenBabel::OBDescriptor **) &OpenBabel::OBDescriptor::Default();
20294   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_p_OpenBabel__OBDescriptor, R_SWIG_EXTERNAL |  0 );
20295   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBDescriptor__SWIG_0(SEXP ID,SEXP IsDefault)20296 SWIGEXPORT SEXP R_swig_new_OBDescriptor__SWIG_0 ( SEXP ID, SEXP IsDefault) { OpenBabel::OBDescriptor *result = 0 ;
20297   char *arg1 = (char *) 0 ; bool arg2 ; int res1 ; char *buf1 = 0 ; int alloc1 = 0 ; unsigned int r_nprotect = 0;
20298   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_AsCharPtrAndSize(ID, &buf1, NULL, &alloc1);
20299   if (!SWIG_IsOK(res1)) {
20300     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBDescriptor" "', argument " "1"" of type '" "char const *""'"); }
20301    arg1 = reinterpret_cast< char * >(buf1); arg2 = LOGICAL(IsDefault)[0] ? true : false;
20302   result = (OpenBabel::OBDescriptor *)new OpenBabel::OBDescriptor((char const *)arg1,arg2);
20303   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBDescriptor, R_SWIG_OWNER |  0 );
20304   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBDescriptor__SWIG_1(SEXP ID)20305 SWIGEXPORT SEXP R_swig_new_OBDescriptor__SWIG_1 ( SEXP ID) { OpenBabel::OBDescriptor *result = 0 ; char *arg1 = (char *) 0 ;
20306   int res1 ; char *buf1 = 0 ; int alloc1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
20307   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_AsCharPtrAndSize(ID, &buf1, NULL, &alloc1); if (!SWIG_IsOK(res1)) {
20308     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBDescriptor" "', argument " "1"" of type '" "char const *""'"); }
20309    arg1 = reinterpret_cast< char * >(buf1); result = (OpenBabel::OBDescriptor *)new OpenBabel::OBDescriptor((char const *)arg1);
20310   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBDescriptor, R_SWIG_OWNER |  0 );
20311   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBDescriptor_FindType(SEXP ID)20312 SWIGEXPORT SEXP R_swig_OBDescriptor_FindType ( SEXP ID) { OpenBabel::OBDescriptor *result = 0 ; char *arg1 = (char *) 0 ;
20313   int res1 ; char *buf1 = 0 ; int alloc1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
20314   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_AsCharPtrAndSize(ID, &buf1, NULL, &alloc1); if (!SWIG_IsOK(res1)) {
20315     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBDescriptor_FindType" "', argument " "1"" of type '" "char const *""'"); }
20316    arg1 = reinterpret_cast< char * >(buf1);
20317   result = (OpenBabel::OBDescriptor *)OpenBabel::OBDescriptor::FindType((char const *)arg1);
20318   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBDescriptor, R_SWIG_EXTERNAL |  0 );
20319   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBDescriptor_Predict__SWIG_0(SEXP self,SEXP s_arg2,SEXP s_arg3,SEXP s_swig_copy)20320 SWIGEXPORT SEXP R_swig_OBDescriptor_Predict__SWIG_0 ( SEXP self, SEXP s_arg2, SEXP s_arg3, SEXP s_swig_copy) { double result;
20321   OpenBabel::OBDescriptor *arg1 = (OpenBabel::OBDescriptor *) 0 ; OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ;
20322   std::string *arg3 = (std::string *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ;
20323   int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20324   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBDescriptor, 0 |  0 ); if (!SWIG_IsOK(res1)) {
20325     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBDescriptor_Predict" "', argument " "1"" of type '" "OpenBabel::OBDescriptor *""'");  }
20326    arg1 = reinterpret_cast< OpenBabel::OBDescriptor * >(argp1);
20327   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res2)) {
20328     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBDescriptor_Predict" "', argument " "2"" of type '" "OpenBabel::OBBase *""'");  }
20329    arg2 = reinterpret_cast< OpenBabel::OBBase * >(argp2);
20330   res3 = SWIG_R_ConvertPtr(s_arg3, &argp3, SWIGTYPE_p_std__string, 0 |  0 ); if (!SWIG_IsOK(res3)) {
20331     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBDescriptor_Predict" "', argument " "3"" of type '" "std::string *""'");  }
20332    arg3 = reinterpret_cast< std::string * >(argp3); result = (double)(arg1)->Predict(arg2,arg3);
20333   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
20334   return r_ans; }
R_swig_OBDescriptor_Predict__SWIG_1(SEXP self,SEXP s_arg2,SEXP s_swig_copy)20335 SWIGEXPORT SEXP R_swig_OBDescriptor_Predict__SWIG_1 ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { double result;
20336   OpenBabel::OBDescriptor *arg1 = (OpenBabel::OBDescriptor *) 0 ; OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ;
20337   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
20338   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBDescriptor, 0 |  0 );
20339   if (!SWIG_IsOK(res1)) {
20340     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBDescriptor_Predict" "', argument " "1"" of type '" "OpenBabel::OBDescriptor *""'");  }
20341    arg1 = reinterpret_cast< OpenBabel::OBDescriptor * >(argp1);
20342   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res2)) {
20343     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBDescriptor_Predict" "', argument " "2"" of type '" "OpenBabel::OBBase *""'");  }
20344    arg2 = reinterpret_cast< OpenBabel::OBBase * >(argp2); result = (double)(arg1)->Predict(arg2);
20345   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
20346   return r_ans; }
R_swig_OBDescriptor_PredictAndSave__SWIG_0(SEXP self,SEXP pOb,SEXP param,SEXP s_swig_copy)20347 SWIGEXPORT SEXP R_swig_OBDescriptor_PredictAndSave__SWIG_0 ( SEXP self, SEXP pOb, SEXP param, SEXP s_swig_copy) { double result;
20348   OpenBabel::OBDescriptor *arg1 = (OpenBabel::OBDescriptor *) 0 ; OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ;
20349   std::string *arg3 = (std::string *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ;
20350   int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20351   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBDescriptor, 0 |  0 ); if (!SWIG_IsOK(res1)) {
20352     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBDescriptor_PredictAndSave" "', argument " "1"" of type '" "OpenBabel::OBDescriptor *""'");  }
20353    arg1 = reinterpret_cast< OpenBabel::OBDescriptor * >(argp1);
20354   res2 = SWIG_R_ConvertPtr(pOb, &argp2, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res2)) {
20355     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBDescriptor_PredictAndSave" "', argument " "2"" of type '" "OpenBabel::OBBase *""'");  }
20356    arg2 = reinterpret_cast< OpenBabel::OBBase * >(argp2);
20357   res3 = SWIG_R_ConvertPtr(param, &argp3, SWIGTYPE_p_std__string, 0 |  0 ); if (!SWIG_IsOK(res3)) {
20358     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBDescriptor_PredictAndSave" "', argument " "3"" of type '" "std::string *""'");  }
20359    arg3 = reinterpret_cast< std::string * >(argp3); result = (double)(arg1)->PredictAndSave(arg2,arg3);
20360   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
20361   return r_ans; }
R_swig_OBDescriptor_PredictAndSave__SWIG_1(SEXP self,SEXP pOb,SEXP s_swig_copy)20362 SWIGEXPORT SEXP R_swig_OBDescriptor_PredictAndSave__SWIG_1 ( SEXP self, SEXP pOb, SEXP s_swig_copy) { double result;
20363   OpenBabel::OBDescriptor *arg1 = (OpenBabel::OBDescriptor *) 0 ; OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ;
20364   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
20365   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBDescriptor, 0 |  0 );
20366   if (!SWIG_IsOK(res1)) {
20367     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBDescriptor_PredictAndSave" "', argument " "1"" of type '" "OpenBabel::OBDescriptor *""'");  }
20368    arg1 = reinterpret_cast< OpenBabel::OBDescriptor * >(argp1);
20369   res2 = SWIG_R_ConvertPtr(pOb, &argp2, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res2)) {
20370     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBDescriptor_PredictAndSave" "', argument " "2"" of type '" "OpenBabel::OBBase *""'");  }
20371    arg2 = reinterpret_cast< OpenBabel::OBBase * >(argp2); result = (double)(arg1)->PredictAndSave(arg2);
20372   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
20373   return r_ans; }
R_swig_OBDescriptor_GetStringValue__SWIG_0(SEXP self,SEXP pOb,SEXP svalue,SEXP param,SEXP s_swig_copy)20374 SWIGEXPORT SEXP R_swig_OBDescriptor_GetStringValue__SWIG_0 ( SEXP self, SEXP pOb, SEXP svalue, SEXP param, SEXP s_swig_copy) {
20375   double result; OpenBabel::OBDescriptor *arg1 = (OpenBabel::OBDescriptor *) 0 ;
20376   OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ; std::string *arg3 = 0 ; std::string *arg4 = (std::string *) 0 ;
20377   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; void *argp4 = 0 ;
20378   int res4 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20379   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBDescriptor, 0 |  0 ); if (!SWIG_IsOK(res1)) {
20380     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBDescriptor_GetStringValue" "', argument " "1"" of type '" "OpenBabel::OBDescriptor *""'");  }
20381    arg1 = reinterpret_cast< OpenBabel::OBDescriptor * >(argp1);
20382   res2 = SWIG_R_ConvertPtr(pOb, &argp2, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res2)) {
20383     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBDescriptor_GetStringValue" "', argument " "2"" of type '" "OpenBabel::OBBase *""'");  }
20384    arg2 = reinterpret_cast< OpenBabel::OBBase * >(argp2); res3 = SWIG_R_ConvertPtr(svalue, &argp3, SWIGTYPE_p_std__string,  0 );
20385   if (!SWIG_IsOK(res3)) {
20386     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBDescriptor_GetStringValue" "', argument " "3"" of type '" "std::string &""'");  }
20387    if (!argp3) {
20388     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBDescriptor_GetStringValue" "', argument " "3"" of type '" "std::string &""'"); }
20389    arg3 = reinterpret_cast< std::string * >(argp3); res4 = SWIG_R_ConvertPtr(param, &argp4, SWIGTYPE_p_std__string, 0 |  0 );
20390   if (!SWIG_IsOK(res4)) {
20391     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "OBDescriptor_GetStringValue" "', argument " "4"" of type '" "std::string *""'");  }
20392    arg4 = reinterpret_cast< std::string * >(argp4); result = (double)(arg1)->GetStringValue(arg2,*arg3,arg4);
20393   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
20394   return r_ans; }
R_swig_OBDescriptor_GetStringValue__SWIG_1(SEXP self,SEXP pOb,SEXP svalue,SEXP s_swig_copy)20395 SWIGEXPORT SEXP R_swig_OBDescriptor_GetStringValue__SWIG_1 ( SEXP self, SEXP pOb, SEXP svalue, SEXP s_swig_copy) {
20396   double result; OpenBabel::OBDescriptor *arg1 = (OpenBabel::OBDescriptor *) 0 ;
20397   OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ; std::string *arg3 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
20398   int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
20399   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBDescriptor, 0 |  0 );
20400   if (!SWIG_IsOK(res1)) {
20401     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBDescriptor_GetStringValue" "', argument " "1"" of type '" "OpenBabel::OBDescriptor *""'");  }
20402    arg1 = reinterpret_cast< OpenBabel::OBDescriptor * >(argp1);
20403   res2 = SWIG_R_ConvertPtr(pOb, &argp2, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res2)) {
20404     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBDescriptor_GetStringValue" "', argument " "2"" of type '" "OpenBabel::OBBase *""'");  }
20405    arg2 = reinterpret_cast< OpenBabel::OBBase * >(argp2); res3 = SWIG_R_ConvertPtr(svalue, &argp3, SWIGTYPE_p_std__string,  0 );
20406   if (!SWIG_IsOK(res3)) {
20407     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBDescriptor_GetStringValue" "', argument " "3"" of type '" "std::string &""'");  }
20408    if (!argp3) {
20409     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBDescriptor_GetStringValue" "', argument " "3"" of type '" "std::string &""'"); }
20410    arg3 = reinterpret_cast< std::string * >(argp3); result = (double)(arg1)->GetStringValue(arg2,*arg3);
20411   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
20412   return r_ans; }
R_swig_OBDescriptor_Compare__SWIG_0(SEXP self,SEXP pOb,SEXP ss,SEXP noEval,SEXP param,SEXP s_swig_copy)20413 SWIGEXPORT SEXP R_swig_OBDescriptor_Compare__SWIG_0 ( SEXP self, SEXP pOb, SEXP ss, SEXP noEval, SEXP param, SEXP s_swig_copy) {
20414   bool result; OpenBabel::OBDescriptor *arg1 = (OpenBabel::OBDescriptor *) 0 ;
20415   OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ; std::istream *arg3 = 0 ; bool arg4 ;
20416   std::string *arg5 = (std::string *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ;
20417   int res3 = 0 ; void *argp5 = 0 ; int res5 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
20418   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBDescriptor, 0 |  0 );
20419   if (!SWIG_IsOK(res1)) {
20420     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBDescriptor_Compare" "', argument " "1"" of type '" "OpenBabel::OBDescriptor *""'");  }
20421    arg1 = reinterpret_cast< OpenBabel::OBDescriptor * >(argp1);
20422   res2 = SWIG_R_ConvertPtr(pOb, &argp2, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res2)) {
20423     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBDescriptor_Compare" "', argument " "2"" of type '" "OpenBabel::OBBase *""'");  }
20424    arg2 = reinterpret_cast< OpenBabel::OBBase * >(argp2); res3 = SWIG_R_ConvertPtr(ss, &argp3, SWIGTYPE_p_std__istream,  0 );
20425   if (!SWIG_IsOK(res3)) {
20426     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBDescriptor_Compare" "', argument " "3"" of type '" "std::istream &""'");  }
20427    if (!argp3) {
20428     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBDescriptor_Compare" "', argument " "3"" of type '" "std::istream &""'"); }
20429    arg3 = reinterpret_cast< std::istream * >(argp3); arg4 = LOGICAL(noEval)[0] ? true : false;
20430   res5 = SWIG_R_ConvertPtr(param, &argp5, SWIGTYPE_p_std__string, 0 |  0 ); if (!SWIG_IsOK(res5)) {
20431     SWIG_exception_fail(SWIG_ArgError(res5), "in method '" "OBDescriptor_Compare" "', argument " "5"" of type '" "std::string *""'");  }
20432    arg5 = reinterpret_cast< std::string * >(argp5); result = (bool)(arg1)->Compare(arg2,*arg3,arg4,arg5);
20433   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBDescriptor_Compare__SWIG_1(SEXP self,SEXP pOb,SEXP ss,SEXP noEval,SEXP s_swig_copy)20434 SWIGEXPORT SEXP R_swig_OBDescriptor_Compare__SWIG_1 ( SEXP self, SEXP pOb, SEXP ss, SEXP noEval, SEXP s_swig_copy) {
20435   bool result; OpenBabel::OBDescriptor *arg1 = (OpenBabel::OBDescriptor *) 0 ;
20436   OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ; std::istream *arg3 = 0 ; bool arg4 ; void *argp1 = 0 ; int res1 = 0 ;
20437   void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
20438   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBDescriptor, 0 |  0 );
20439   if (!SWIG_IsOK(res1)) {
20440     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBDescriptor_Compare" "', argument " "1"" of type '" "OpenBabel::OBDescriptor *""'");  }
20441    arg1 = reinterpret_cast< OpenBabel::OBDescriptor * >(argp1);
20442   res2 = SWIG_R_ConvertPtr(pOb, &argp2, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res2)) {
20443     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBDescriptor_Compare" "', argument " "2"" of type '" "OpenBabel::OBBase *""'");  }
20444    arg2 = reinterpret_cast< OpenBabel::OBBase * >(argp2); res3 = SWIG_R_ConvertPtr(ss, &argp3, SWIGTYPE_p_std__istream,  0 );
20445   if (!SWIG_IsOK(res3)) {
20446     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBDescriptor_Compare" "', argument " "3"" of type '" "std::istream &""'");  }
20447    if (!argp3) {
20448     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBDescriptor_Compare" "', argument " "3"" of type '" "std::istream &""'"); }
20449    arg3 = reinterpret_cast< std::istream * >(argp3); arg4 = LOGICAL(noEval)[0] ? true : false;
20450   result = (bool)(arg1)->Compare(arg2,*arg3,arg4); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
20451   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBDescriptor_Display__SWIG_0(SEXP self,SEXP txt,SEXP param,SEXP ID,SEXP s_swig_copy)20452 SWIGEXPORT SEXP R_swig_OBDescriptor_Display__SWIG_0 ( SEXP self, SEXP txt, SEXP param, SEXP ID, SEXP s_swig_copy) { bool result;
20453   OpenBabel::OBDescriptor *arg1 = (OpenBabel::OBDescriptor *) 0 ; std::string *arg2 = 0 ; char *arg3 = (char *) 0 ;
20454   char *arg4 = (char *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; int res3 ; char *buf3 = 0 ;
20455   int alloc3 = 0 ; int res4 ; char *buf4 = 0 ; int alloc4 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
20456   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBDescriptor, 0 |  0 );
20457   if (!SWIG_IsOK(res1)) {
20458     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBDescriptor_Display" "', argument " "1"" of type '" "OpenBabel::OBDescriptor *""'");  }
20459    arg1 = reinterpret_cast< OpenBabel::OBDescriptor * >(argp1);
20460   res2 = SWIG_R_ConvertPtr(txt, &argp2, SWIGTYPE_p_std__string,  0 ); if (!SWIG_IsOK(res2)) {
20461     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBDescriptor_Display" "', argument " "2"" of type '" "std::string &""'");  }
20462    if (!argp2) {
20463     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBDescriptor_Display" "', argument " "2"" of type '" "std::string &""'"); }
20464    arg2 = reinterpret_cast< std::string * >(argp2); res3 = SWIG_AsCharPtrAndSize(param, &buf3, NULL, &alloc3);
20465   if (!SWIG_IsOK(res3)) {
20466     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBDescriptor_Display" "', argument " "3"" of type '" "char const *""'"); }
20467    arg3 = reinterpret_cast< char * >(buf3); res4 = SWIG_AsCharPtrAndSize(ID, &buf4, NULL, &alloc4); if (!SWIG_IsOK(res4)) {
20468     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "OBDescriptor_Display" "', argument " "4"" of type '" "char const *""'"); }
20469    arg4 = reinterpret_cast< char * >(buf4); result = (bool)(arg1)->Display(*arg2,(char const *)arg3,(char const *)arg4);
20470   r_ans = Rf_ScalarLogical(result); if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4;
20471   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBDescriptor_Display__SWIG_1(SEXP self,SEXP txt,SEXP param,SEXP s_swig_copy)20472 SWIGEXPORT SEXP R_swig_OBDescriptor_Display__SWIG_1 ( SEXP self, SEXP txt, SEXP param, SEXP s_swig_copy) { bool result;
20473   OpenBabel::OBDescriptor *arg1 = (OpenBabel::OBDescriptor *) 0 ; std::string *arg2 = 0 ; char *arg3 = (char *) 0 ;
20474   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; int res3 ; char *buf3 = 0 ; int alloc3 = 0 ;
20475   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20476   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBDescriptor, 0 |  0 ); if (!SWIG_IsOK(res1)) {
20477     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBDescriptor_Display" "', argument " "1"" of type '" "OpenBabel::OBDescriptor *""'");  }
20478    arg1 = reinterpret_cast< OpenBabel::OBDescriptor * >(argp1);
20479   res2 = SWIG_R_ConvertPtr(txt, &argp2, SWIGTYPE_p_std__string,  0 ); if (!SWIG_IsOK(res2)) {
20480     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBDescriptor_Display" "', argument " "2"" of type '" "std::string &""'");  }
20481    if (!argp2) {
20482     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBDescriptor_Display" "', argument " "2"" of type '" "std::string &""'"); }
20483    arg2 = reinterpret_cast< std::string * >(argp2); res3 = SWIG_AsCharPtrAndSize(param, &buf3, NULL, &alloc3);
20484   if (!SWIG_IsOK(res3)) {
20485     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBDescriptor_Display" "', argument " "3"" of type '" "char const *""'"); }
20486    arg3 = reinterpret_cast< char * >(buf3); result = (bool)(arg1)->Display(*arg2,(char const *)arg3);
20487   r_ans = Rf_ScalarLogical(result); if (alloc3 == SWIG_NEWOBJ) delete[] buf3; vmaxset(r_vmax);
20488   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBDescriptor_Order__SWIG_0(SEXP self,SEXP p1,SEXP p2,SEXP s_swig_copy)20489 SWIGEXPORT SEXP R_swig_OBDescriptor_Order__SWIG_0 ( SEXP self, SEXP p1, SEXP p2, SEXP s_swig_copy) { bool result;
20490   OpenBabel::OBDescriptor *arg1 = (OpenBabel::OBDescriptor *) 0 ; double arg2 ; double arg3 ; void *argp1 = 0 ; int res1 = 0 ;
20491   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20492   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBDescriptor, 0 |  0 ); if (!SWIG_IsOK(res1)) {
20493     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBDescriptor_Order" "', argument " "1"" of type '" "OpenBabel::OBDescriptor *""'");  }
20494    arg1 = reinterpret_cast< OpenBabel::OBDescriptor * >(argp1); arg2 = static_cast< double >(REAL(p1)[0]);
20495   arg3 = static_cast< double >(REAL(p2)[0]); result = (bool)(arg1)->Order(arg2,arg3); r_ans = Rf_ScalarLogical(result);
20496   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBDescriptor_Order__SWIG_1(SEXP self,SEXP s1,SEXP s2,SEXP s_swig_copy)20497 SWIGEXPORT SEXP R_swig_OBDescriptor_Order__SWIG_1 ( SEXP self, SEXP s1, SEXP s2, SEXP s_swig_copy) { bool result;
20498   OpenBabel::OBDescriptor *arg1 = (OpenBabel::OBDescriptor *) 0 ; std::string arg2 ; std::string arg3 ; void *argp1 = 0 ;
20499   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20500   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBDescriptor, 0 |  0 ); if (!SWIG_IsOK(res1)) {
20501     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBDescriptor_Order" "', argument " "1"" of type '" "OpenBabel::OBDescriptor *""'");  }
20502    arg1 = reinterpret_cast< OpenBabel::OBDescriptor * >(argp1); { std::string *ptr = (std::string *)0;
20503     int res = SWIG_AsPtr_std_string(s1, &ptr); if (!SWIG_IsOK(res) || !ptr) {
20504       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBDescriptor_Order" "', argument " "2"" of type '" "std::string""'");  }
20505      arg2 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  { std::string *ptr = (std::string *)0;
20506     int res = SWIG_AsPtr_std_string(s2, &ptr); if (!SWIG_IsOK(res) || !ptr) {
20507       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBDescriptor_Order" "', argument " "3"" of type '" "std::string""'");  }
20508      arg3 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  result = (bool)(arg1)->Order(arg2,arg3);
20509   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBDescriptor_FilterCompare(SEXP pOb,SEXP ss,SEXP noEval,SEXP s_swig_copy)20510 SWIGEXPORT SEXP R_swig_OBDescriptor_FilterCompare ( SEXP pOb, SEXP ss, SEXP noEval, SEXP s_swig_copy) { bool result;
20511   OpenBabel::OBBase *arg1 = (OpenBabel::OBBase *) 0 ; std::istream *arg2 = 0 ; bool arg3 ; void *argp1 = 0 ; int res1 = 0 ;
20512   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20513   res1 = SWIG_R_ConvertPtr(pOb, &argp1, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res1)) {
20514     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBDescriptor_FilterCompare" "', argument " "1"" of type '" "OpenBabel::OBBase *""'");  }
20515    arg1 = reinterpret_cast< OpenBabel::OBBase * >(argp1); res2 = SWIG_R_ConvertPtr(ss, &argp2, SWIGTYPE_p_std__istream,  0 );
20516   if (!SWIG_IsOK(res2)) {
20517     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBDescriptor_FilterCompare" "', argument " "2"" of type '" "std::istream &""'");  }
20518    if (!argp2) {
20519     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBDescriptor_FilterCompare" "', argument " "2"" of type '" "std::istream &""'"); }
20520    arg2 = reinterpret_cast< std::istream * >(argp2); arg3 = LOGICAL(noEval)[0] ? true : false;
20521   result = (bool)OpenBabel::OBDescriptor::FilterCompare(arg1,*arg2,arg3); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
20522   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBDescriptor_AddProperties(SEXP pOb,SEXP DescrList)20523 SWIGEXPORT SEXP R_swig_OBDescriptor_AddProperties ( SEXP pOb, SEXP DescrList) {
20524   OpenBabel::OBBase *arg1 = (OpenBabel::OBBase *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
20525   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20526   res1 = SWIG_R_ConvertPtr(pOb, &argp1, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res1)) {
20527     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBDescriptor_AddProperties" "', argument " "1"" of type '" "OpenBabel::OBBase *""'");  }
20528    arg1 = reinterpret_cast< OpenBabel::OBBase * >(argp1); { std::string *ptr = (std::string *)0;
20529     res2 = SWIG_AsPtr_std_string(DescrList, &ptr); if (!SWIG_IsOK(res2)) {
20530       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBDescriptor_AddProperties" "', argument " "2"" of type '" "std::string const &""'"); }
20531      if (!ptr) {
20532       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBDescriptor_AddProperties" "', argument " "2"" of type '" "std::string const &""'"); }
20533      arg2 = ptr; }  OpenBabel::OBDescriptor::AddProperties(arg1,(std::string const &)*arg2); r_ans = R_NilValue;
20534   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBDescriptor_DeleteProperties(SEXP pOb,SEXP DescrList)20535 SWIGEXPORT SEXP R_swig_OBDescriptor_DeleteProperties ( SEXP pOb, SEXP DescrList) {
20536   OpenBabel::OBBase *arg1 = (OpenBabel::OBBase *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
20537   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20538   res1 = SWIG_R_ConvertPtr(pOb, &argp1, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res1)) {
20539     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBDescriptor_DeleteProperties" "', argument " "1"" of type '" "OpenBabel::OBBase *""'");  }
20540    arg1 = reinterpret_cast< OpenBabel::OBBase * >(argp1); { std::string *ptr = (std::string *)0;
20541     res2 = SWIG_AsPtr_std_string(DescrList, &ptr); if (!SWIG_IsOK(res2)) {
20542       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBDescriptor_DeleteProperties" "', argument " "2"" of type '" "std::string const &""'"); }
20543      if (!ptr) {
20544       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBDescriptor_DeleteProperties" "', argument " "2"" of type '" "std::string const &""'"); }
20545      arg2 = ptr; }  OpenBabel::OBDescriptor::DeleteProperties(arg1,(std::string const &)*arg2); r_ans = R_NilValue;
20546   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBDescriptor_GetValues(SEXP pOb,SEXP DescrList,SEXP s_swig_copy)20547 SWIGEXPORT SEXP R_swig_OBDescriptor_GetValues ( SEXP pOb, SEXP DescrList, SEXP s_swig_copy) { std::string result;
20548   OpenBabel::OBBase *arg1 = (OpenBabel::OBBase *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
20549   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20550   res1 = SWIG_R_ConvertPtr(pOb, &argp1, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res1)) {
20551     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBDescriptor_GetValues" "', argument " "1"" of type '" "OpenBabel::OBBase *""'");  }
20552    arg1 = reinterpret_cast< OpenBabel::OBBase * >(argp1); { std::string *ptr = (std::string *)0;
20553     res2 = SWIG_AsPtr_std_string(DescrList, &ptr); if (!SWIG_IsOK(res2)) {
20554       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBDescriptor_GetValues" "', argument " "2"" of type '" "std::string const &""'"); }
20555      if (!ptr) {
20556       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBDescriptor_GetValues" "', argument " "2"" of type '" "std::string const &""'"); }
20557      arg2 = ptr; }  result = OpenBabel::OBDescriptor::GetValues(arg1,(std::string const &)*arg2);
20558   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax);
20559   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBDescriptor_GetIdentifier(SEXP optionText,SEXP s_swig_copy)20560 SWIGEXPORT SEXP R_swig_OBDescriptor_GetIdentifier ( SEXP optionText, SEXP s_swig_copy) {
20561   SwigValueWrapper< std::pair< std::string,std::string > > result; std::istream *arg1 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
20562   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20563   res1 = SWIG_R_ConvertPtr(optionText, &argp1, SWIGTYPE_p_std__istream,  0 ); if (!SWIG_IsOK(res1)) {
20564     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBDescriptor_GetIdentifier" "', argument " "1"" of type '" "std::istream &""'");  }
20565    if (!argp1) {
20566     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBDescriptor_GetIdentifier" "', argument " "1"" of type '" "std::istream &""'"); }
20567    arg1 = reinterpret_cast< std::istream * >(argp1); result = OpenBabel::OBDescriptor::GetIdentifier(*arg1);
20568   r_ans = SWIG_R_NewPointerObj((new std::pair< std::string,std::string >(static_cast< const std::pair< std::string,std::string >& >(result))), SWIGTYPE_p_std__pairT_std__string_std__string_t, SWIG_POINTER_OWN |  0 );
20569   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBDescriptor(SEXP self)20570 SWIGEXPORT SEXP R_swig_delete_OBDescriptor ( SEXP self) { OpenBabel::OBDescriptor *arg1 = (OpenBabel::OBDescriptor *) 0 ;
20571   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20572   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBDescriptor, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
20573     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBDescriptor" "', argument " "1"" of type '" "OpenBabel::OBDescriptor *""'");  }
20574    arg1 = reinterpret_cast< OpenBabel::OBDescriptor * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
20575   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_new_OBBuilder()20576 SWIGEXPORT SEXP R_swig_new_OBBuilder ( ) { OpenBabel::OBBuilder *result = 0 ; unsigned int r_nprotect = 0;
20577   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBBuilder *)new OpenBabel::OBBuilder();
20578   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBuilder, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
20579   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBuilder_Build(SEXP self,SEXP mol,SEXP s_swig_copy)20580 SWIGEXPORT SEXP R_swig_OBBuilder_Build ( SEXP self, SEXP mol, SEXP s_swig_copy) { bool result;
20581   OpenBabel::OBBuilder *arg1 = (OpenBabel::OBBuilder *) 0 ; OpenBabel::OBMol *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
20582   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20583   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBuilder, 0 |  0 ); if (!SWIG_IsOK(res1)) {
20584     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBuilder_Build" "', argument " "1"" of type '" "OpenBabel::OBBuilder *""'");  }
20585    arg1 = reinterpret_cast< OpenBabel::OBBuilder * >(argp1);
20586   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
20587     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBBuilder_Build" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
20588    if (!argp2) {
20589     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBBuilder_Build" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
20590    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); result = (bool)(arg1)->Build(*arg2); r_ans = Rf_ScalarLogical(result);
20591   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBuilder_SetKeepRings(SEXP self)20592 SWIGEXPORT SEXP R_swig_OBBuilder_SetKeepRings ( SEXP self) { OpenBabel::OBBuilder *arg1 = (OpenBabel::OBBuilder *) 0 ;
20593   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20594   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBuilder, 0 |  0 ); if (!SWIG_IsOK(res1)) {
20595     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBuilder_SetKeepRings" "', argument " "1"" of type '" "OpenBabel::OBBuilder *""'");  }
20596    arg1 = reinterpret_cast< OpenBabel::OBBuilder * >(argp1); (arg1)->SetKeepRings(); r_ans = R_NilValue; vmaxset(r_vmax);
20597   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBuilder_UnsetKeepRings(SEXP self)20598 SWIGEXPORT SEXP R_swig_OBBuilder_UnsetKeepRings ( SEXP self) { OpenBabel::OBBuilder *arg1 = (OpenBabel::OBBuilder *) 0 ;
20599   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20600   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBuilder, 0 |  0 ); if (!SWIG_IsOK(res1)) {
20601     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBuilder_UnsetKeepRings" "', argument " "1"" of type '" "OpenBabel::OBBuilder *""'");  }
20602    arg1 = reinterpret_cast< OpenBabel::OBBuilder * >(argp1); (arg1)->UnsetKeepRings(); r_ans = R_NilValue; vmaxset(r_vmax);
20603   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBuilder_LoadFragments(SEXP self)20604 SWIGEXPORT SEXP R_swig_OBBuilder_LoadFragments ( SEXP self) { OpenBabel::OBBuilder *arg1 = (OpenBabel::OBBuilder *) 0 ;
20605   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20606   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBuilder, 0 |  0 ); if (!SWIG_IsOK(res1)) {
20607     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBuilder_LoadFragments" "', argument " "1"" of type '" "OpenBabel::OBBuilder *""'");  }
20608    arg1 = reinterpret_cast< OpenBabel::OBBuilder * >(argp1); (arg1)->LoadFragments(); r_ans = R_NilValue; vmaxset(r_vmax);
20609   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBuilder_GetNewBondVector__SWIG_0(SEXP atom,SEXP s_swig_copy)20610 SWIGEXPORT SEXP R_swig_OBBuilder_GetNewBondVector__SWIG_0 ( SEXP atom, SEXP s_swig_copy) { OpenBabel::vector3 result;
20611   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
20612   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20613   res1 = SWIG_R_ConvertPtr(atom, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
20614     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBuilder_GetNewBondVector" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
20615    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = OpenBabel::OBBuilder::GetNewBondVector(arg1);
20616   r_ans = SWIG_R_NewPointerObj((new OpenBabel::vector3(static_cast< const OpenBabel::vector3& >(result))), SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_OWN |  0 );
20617   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBuilder_GetNewBondVector__SWIG_1(SEXP atom,SEXP length,SEXP s_swig_copy)20618 SWIGEXPORT SEXP R_swig_OBBuilder_GetNewBondVector__SWIG_1 ( SEXP atom, SEXP length, SEXP s_swig_copy) {
20619   OpenBabel::vector3 result; OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; double arg2 ; void *argp1 = 0 ; int res1 = 0 ;
20620   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20621   res1 = SWIG_R_ConvertPtr(atom, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
20622     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBuilder_GetNewBondVector" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
20623    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); arg2 = static_cast< double >(REAL(length)[0]);
20624   result = OpenBabel::OBBuilder::GetNewBondVector(arg1,arg2);
20625   r_ans = SWIG_R_NewPointerObj((new OpenBabel::vector3(static_cast< const OpenBabel::vector3& >(result))), SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_OWN |  0 );
20626   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBuilder_Connect__SWIG_0(SEXP mol,SEXP a,SEXP b,SEXP newpos,SEXP bondOrder,SEXP s_swig_copy)20627 SWIGEXPORT SEXP R_swig_OBBuilder_Connect__SWIG_0 ( SEXP mol, SEXP a, SEXP b, SEXP newpos, SEXP bondOrder, SEXP s_swig_copy) {
20628   bool result; OpenBabel::OBMol *arg1 = 0 ; int arg2 ; int arg3 ; OpenBabel::vector3 *arg4 = 0 ; int arg5 ; void *argp1 = 0 ;
20629   int res1 = 0 ; void *argp4 = 0 ; int res4 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
20630   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res1)) {
20631     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBuilder_Connect" "', argument " "1"" of type '" "OpenBabel::OBMol &""'");  }
20632    if (!argp1) {
20633     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBBuilder_Connect" "', argument " "1"" of type '" "OpenBabel::OBMol &""'"); }
20634    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = static_cast< int >(INTEGER(a)[0]);
20635   arg3 = static_cast< int >(INTEGER(b)[0]); res4 = SWIG_R_ConvertPtr(newpos, &argp4, SWIGTYPE_p_OpenBabel__vector3,  0 );
20636   if (!SWIG_IsOK(res4)) {
20637     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "OBBuilder_Connect" "', argument " "4"" of type '" "OpenBabel::vector3 &""'");  }
20638    if (!argp4) {
20639     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBBuilder_Connect" "', argument " "4"" of type '" "OpenBabel::vector3 &""'"); }
20640    arg4 = reinterpret_cast< OpenBabel::vector3 * >(argp4); arg5 = static_cast< int >(INTEGER(bondOrder)[0]);
20641   result = (bool)OpenBabel::OBBuilder::Connect(*arg1,arg2,arg3,*arg4,arg5); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
20642   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBuilder_Connect__SWIG_1(SEXP mol,SEXP a,SEXP b,SEXP newpos,SEXP s_swig_copy)20643 SWIGEXPORT SEXP R_swig_OBBuilder_Connect__SWIG_1 ( SEXP mol, SEXP a, SEXP b, SEXP newpos, SEXP s_swig_copy) { bool result;
20644   OpenBabel::OBMol *arg1 = 0 ; int arg2 ; int arg3 ; OpenBabel::vector3 *arg4 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
20645   void *argp4 = 0 ; int res4 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20646   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res1)) {
20647     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBuilder_Connect" "', argument " "1"" of type '" "OpenBabel::OBMol &""'");  }
20648    if (!argp1) {
20649     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBBuilder_Connect" "', argument " "1"" of type '" "OpenBabel::OBMol &""'"); }
20650    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = static_cast< int >(INTEGER(a)[0]);
20651   arg3 = static_cast< int >(INTEGER(b)[0]); res4 = SWIG_R_ConvertPtr(newpos, &argp4, SWIGTYPE_p_OpenBabel__vector3,  0 );
20652   if (!SWIG_IsOK(res4)) {
20653     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "OBBuilder_Connect" "', argument " "4"" of type '" "OpenBabel::vector3 &""'");  }
20654    if (!argp4) {
20655     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBBuilder_Connect" "', argument " "4"" of type '" "OpenBabel::vector3 &""'"); }
20656    arg4 = reinterpret_cast< OpenBabel::vector3 * >(argp4); result = (bool)OpenBabel::OBBuilder::Connect(*arg1,arg2,arg3,*arg4);
20657   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBuilder_Connect__SWIG_2(SEXP mol,SEXP a,SEXP b,SEXP bondOrder,SEXP s_swig_copy)20658 SWIGEXPORT SEXP R_swig_OBBuilder_Connect__SWIG_2 ( SEXP mol, SEXP a, SEXP b, SEXP bondOrder, SEXP s_swig_copy) { bool result;
20659   OpenBabel::OBMol *arg1 = 0 ; int arg2 ; int arg3 ; int arg4 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
20660   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20661   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res1)) {
20662     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBuilder_Connect" "', argument " "1"" of type '" "OpenBabel::OBMol &""'");  }
20663    if (!argp1) {
20664     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBBuilder_Connect" "', argument " "1"" of type '" "OpenBabel::OBMol &""'"); }
20665    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = static_cast< int >(INTEGER(a)[0]);
20666   arg3 = static_cast< int >(INTEGER(b)[0]); arg4 = static_cast< int >(INTEGER(bondOrder)[0]);
20667   result = (bool)OpenBabel::OBBuilder::Connect(*arg1,arg2,arg3,arg4); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
20668   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBuilder_Connect__SWIG_3(SEXP mol,SEXP a,SEXP b,SEXP s_swig_copy)20669 SWIGEXPORT SEXP R_swig_OBBuilder_Connect__SWIG_3 ( SEXP mol, SEXP a, SEXP b, SEXP s_swig_copy) { bool result;
20670   OpenBabel::OBMol *arg1 = 0 ; int arg2 ; int arg3 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
20671   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20672   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res1)) {
20673     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBuilder_Connect" "', argument " "1"" of type '" "OpenBabel::OBMol &""'");  }
20674    if (!argp1) {
20675     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBBuilder_Connect" "', argument " "1"" of type '" "OpenBabel::OBMol &""'"); }
20676    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = static_cast< int >(INTEGER(a)[0]);
20677   arg3 = static_cast< int >(INTEGER(b)[0]); result = (bool)OpenBabel::OBBuilder::Connect(*arg1,arg2,arg3);
20678   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBuilder_Swap(SEXP mol,SEXP a,SEXP b,SEXP c,SEXP d,SEXP s_swig_copy)20679 SWIGEXPORT SEXP R_swig_OBBuilder_Swap ( SEXP mol, SEXP a, SEXP b, SEXP c, SEXP d, SEXP s_swig_copy) { bool result;
20680   OpenBabel::OBMol *arg1 = 0 ; int arg2 ; int arg3 ; int arg4 ; int arg5 ; void *argp1 = 0 ; int res1 = 0 ;
20681   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20682   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res1)) {
20683     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBuilder_Swap" "', argument " "1"" of type '" "OpenBabel::OBMol &""'");  }
20684    if (!argp1) {
20685     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBBuilder_Swap" "', argument " "1"" of type '" "OpenBabel::OBMol &""'"); }
20686    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = static_cast< int >(INTEGER(a)[0]);
20687   arg3 = static_cast< int >(INTEGER(b)[0]); arg4 = static_cast< int >(INTEGER(c)[0]); arg5 = static_cast< int >(INTEGER(d)[0]);
20688   result = (bool)OpenBabel::OBBuilder::Swap(*arg1,arg2,arg3,arg4,arg5); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
20689   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBuilder_CorrectStereoBonds(SEXP mol)20690 SWIGEXPORT SEXP R_swig_OBBuilder_CorrectStereoBonds ( SEXP mol) { OpenBabel::OBMol *arg1 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
20691   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20692   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res1)) {
20693     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBuilder_CorrectStereoBonds" "', argument " "1"" of type '" "OpenBabel::OBMol &""'");  }
20694    if (!argp1) {
20695     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBBuilder_CorrectStereoBonds" "', argument " "1"" of type '" "OpenBabel::OBMol &""'"); }
20696    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); OpenBabel::OBBuilder::CorrectStereoBonds(*arg1); r_ans = R_NilValue;
20697   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBuilder_CorrectStereoAtoms(SEXP mol)20698 SWIGEXPORT SEXP R_swig_OBBuilder_CorrectStereoAtoms ( SEXP mol) { OpenBabel::OBMol *arg1 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
20699   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20700   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res1)) {
20701     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBuilder_CorrectStereoAtoms" "', argument " "1"" of type '" "OpenBabel::OBMol &""'");  }
20702    if (!argp1) {
20703     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBBuilder_CorrectStereoAtoms" "', argument " "1"" of type '" "OpenBabel::OBMol &""'"); }
20704    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); OpenBabel::OBBuilder::CorrectStereoAtoms(*arg1); r_ans = R_NilValue;
20705   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBuilder_IsSpiroAtom(SEXP atomId,SEXP mol,SEXP s_swig_copy)20706 SWIGEXPORT SEXP R_swig_OBBuilder_IsSpiroAtom ( SEXP atomId, SEXP mol, SEXP s_swig_copy) { bool result; unsigned long arg1 ;
20707   OpenBabel::OBMol *arg2 = 0 ; long val1 ; int ecode1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0;
20708   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; ecode1 = SWIG_AsVal_long(atomId, &val1); if (!SWIG_IsOK(ecode1)) {
20709     SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "OBBuilder_IsSpiroAtom" "', argument " "1"" of type '" "unsigned long""'"); }
20710     arg1 = static_cast< unsigned long >(val1); res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 );
20711   if (!SWIG_IsOK(res2)) {
20712     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBBuilder_IsSpiroAtom" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
20713    if (!argp2) {
20714     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBBuilder_IsSpiroAtom" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
20715    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); result = (bool)OpenBabel::OBBuilder::IsSpiroAtom(arg1,*arg2);
20716   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBuilder_GetFragment(SEXP atom,SEXP s_swig_copy)20717 SWIGEXPORT SEXP R_swig_OBBuilder_GetFragment ( SEXP atom, SEXP s_swig_copy) { OpenBabel::OBBitVec result;
20718   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
20719   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20720   res1 = SWIG_R_ConvertPtr(atom, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
20721     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBuilder_GetFragment" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
20722    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1); result = OpenBabel::OBBuilder::GetFragment(arg1);
20723   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBBitVec(static_cast< const OpenBabel::OBBitVec& >(result))), SWIGTYPE_p_OpenBabel__OBBitVec, SWIG_POINTER_OWN |  0 );
20724   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBuilder_AddNbrs(SEXP fragment,SEXP atom)20725 SWIGEXPORT SEXP R_swig_OBBuilder_AddNbrs ( SEXP fragment, SEXP atom) { OpenBabel::OBBitVec *arg1 = 0 ;
20726   OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
20727   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20728   res1 = SWIG_R_ConvertPtr(fragment, &argp1, SWIGTYPE_p_OpenBabel__OBBitVec,  0 ); if (!SWIG_IsOK(res1)) {
20729     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBuilder_AddNbrs" "', argument " "1"" of type '" "OpenBabel::OBBitVec &""'");  }
20730    if (!argp1) {
20731     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBBuilder_AddNbrs" "', argument " "1"" of type '" "OpenBabel::OBBitVec &""'"); }
20732    arg1 = reinterpret_cast< OpenBabel::OBBitVec * >(argp1);
20733   res2 = SWIG_R_ConvertPtr(atom, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
20734     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBBuilder_AddNbrs" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
20735    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); OpenBabel::OBBuilder::AddNbrs(*arg1,arg2); r_ans = R_NilValue;
20736   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBBuilder(SEXP self)20737 SWIGEXPORT SEXP R_swig_delete_OBBuilder ( SEXP self) { OpenBabel::OBBuilder *arg1 = (OpenBabel::OBBuilder *) 0 ;
20738   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20739   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBuilder, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
20740     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBBuilder" "', argument " "1"" of type '" "OpenBabel::OBBuilder *""'");  }
20741    arg1 = reinterpret_cast< OpenBabel::OBBuilder * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
20742   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBOp_Default(SEXP s_swig_copy)20743 SWIGEXPORT SEXP R_swig_OBOp_Default ( SEXP s_swig_copy) { OpenBabel::OBOp **result = 0 ; unsigned int r_nprotect = 0;
20744   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBOp **) &OpenBabel::OBOp::Default();
20745   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_p_OpenBabel__OBOp, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
20746   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBOp_FindType(SEXP ID)20747 SWIGEXPORT SEXP R_swig_OBOp_FindType ( SEXP ID) { OpenBabel::OBOp *result = 0 ; char *arg1 = (char *) 0 ; int res1 ;
20748   char *buf1 = 0 ; int alloc1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20749   res1 = SWIG_AsCharPtrAndSize(ID, &buf1, NULL, &alloc1); if (!SWIG_IsOK(res1)) {
20750     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBOp_FindType" "', argument " "1"" of type '" "char const *""'"); }
20751   arg1 = reinterpret_cast< char * >(buf1); result = (OpenBabel::OBOp *)OpenBabel::OBOp::FindType((char const *)arg1);
20752   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBOp, R_SWIG_EXTERNAL |  0 );
20753   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBOp_Do__SWIG_0(SEXP self,SEXP pOb,SEXP OptionText,SEXP pOptions,SEXP pConv,SEXP s_swig_copy)20754 SWIGEXPORT SEXP R_swig_OBOp_Do__SWIG_0 ( SEXP self, SEXP pOb, SEXP OptionText, SEXP pOptions, SEXP pConv, SEXP s_swig_copy) {
20755   bool result; OpenBabel::OBOp *arg1 = (OpenBabel::OBOp *) 0 ; OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ;
20756   char *arg3 = (char *) 0 ; OpenBabel::OBOp::OpMap *arg4 = (OpenBabel::OBOp::OpMap *) 0 ;
20757   OpenBabel::OBConversion *arg5 = (OpenBabel::OBConversion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
20758   int res2 = 0 ; int res3 ; char *buf3 = 0 ; int alloc3 = 0 ; void *argp4 = 0 ; int res4 = 0 ; void *argp5 = 0 ; int res5 = 0 ;
20759   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20760   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBOp, 0 |  0 ); if (!SWIG_IsOK(res1)) {
20761     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBOp_Do" "', argument " "1"" of type '" "OpenBabel::OBOp *""'");  }
20762   arg1 = reinterpret_cast< OpenBabel::OBOp * >(argp1);
20763   res2 = SWIG_R_ConvertPtr(pOb, &argp2, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res2)) {
20764     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBOp_Do" "', argument " "2"" of type '" "OpenBabel::OBBase *""'");  }
20765    arg2 = reinterpret_cast< OpenBabel::OBBase * >(argp2); res3 = SWIG_AsCharPtrAndSize(OptionText, &buf3, NULL, &alloc3);
20766   if (!SWIG_IsOK(res3)) {
20767     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBOp_Do" "', argument " "3"" of type '" "char const *""'"); }
20768   arg3 = reinterpret_cast< char * >(buf3);
20769   res4 = SWIG_R_ConvertPtr(pOptions, &argp4, SWIGTYPE_p_std__mapT_std__string_std__string_std__lessT_std__string_t_std__allocatorT_std__pairT_std__string_const_std__string_t_t_t, 0 |  0 );
20770   if (!SWIG_IsOK(res4)) {
20771     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "OBOp_Do" "', argument " "4"" of type '" "OpenBabel::OBOp::OpMap *""'");  }
20772    arg4 = reinterpret_cast< OpenBabel::OBOp::OpMap * >(argp4);
20773   res5 = SWIG_R_ConvertPtr(pConv, &argp5, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res5)) {
20774     SWIG_exception_fail(SWIG_ArgError(res5), "in method '" "OBOp_Do" "', argument " "5"" of type '" "OpenBabel::OBConversion *""'");  }
20775    arg5 = reinterpret_cast< OpenBabel::OBConversion * >(argp5); result = (bool)(arg1)->Do(arg2,(char const *)arg3,arg4,arg5);
20776   r_ans = Rf_ScalarLogical(result); if (alloc3 == SWIG_NEWOBJ) delete[] buf3; vmaxset(r_vmax);
20777   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBOp_Do__SWIG_1(SEXP self,SEXP pOb,SEXP OptionText,SEXP pOptions,SEXP s_swig_copy)20778 SWIGEXPORT SEXP R_swig_OBOp_Do__SWIG_1 ( SEXP self, SEXP pOb, SEXP OptionText, SEXP pOptions, SEXP s_swig_copy) { bool result;
20779   OpenBabel::OBOp *arg1 = (OpenBabel::OBOp *) 0 ; OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ; char *arg3 = (char *) 0 ;
20780   OpenBabel::OBOp::OpMap *arg4 = (OpenBabel::OBOp::OpMap *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
20781   int res2 = 0 ; int res3 ; char *buf3 = 0 ; int alloc3 = 0 ; void *argp4 = 0 ; int res4 = 0 ; unsigned int r_nprotect = 0;
20782   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20783   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBOp, 0 |  0 ); if (!SWIG_IsOK(res1)) {
20784     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBOp_Do" "', argument " "1"" of type '" "OpenBabel::OBOp *""'");  }
20785   arg1 = reinterpret_cast< OpenBabel::OBOp * >(argp1);
20786   res2 = SWIG_R_ConvertPtr(pOb, &argp2, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res2)) {
20787     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBOp_Do" "', argument " "2"" of type '" "OpenBabel::OBBase *""'");  }
20788    arg2 = reinterpret_cast< OpenBabel::OBBase * >(argp2); res3 = SWIG_AsCharPtrAndSize(OptionText, &buf3, NULL, &alloc3);
20789   if (!SWIG_IsOK(res3)) {
20790     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBOp_Do" "', argument " "3"" of type '" "char const *""'"); }
20791   arg3 = reinterpret_cast< char * >(buf3);
20792   res4 = SWIG_R_ConvertPtr(pOptions, &argp4, SWIGTYPE_p_std__mapT_std__string_std__string_std__lessT_std__string_t_std__allocatorT_std__pairT_std__string_const_std__string_t_t_t, 0 |  0 );
20793   if (!SWIG_IsOK(res4)) {
20794     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "OBOp_Do" "', argument " "4"" of type '" "OpenBabel::OBOp::OpMap *""'");  }
20795    arg4 = reinterpret_cast< OpenBabel::OBOp::OpMap * >(argp4); result = (bool)(arg1)->Do(arg2,(char const *)arg3,arg4);
20796   r_ans = Rf_ScalarLogical(result); if (alloc3 == SWIG_NEWOBJ) delete[] buf3; vmaxset(r_vmax);
20797   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBOp_Do__SWIG_2(SEXP self,SEXP pOb,SEXP OptionText,SEXP s_swig_copy)20798 SWIGEXPORT SEXP R_swig_OBOp_Do__SWIG_2 ( SEXP self, SEXP pOb, SEXP OptionText, SEXP s_swig_copy) { bool result;
20799   OpenBabel::OBOp *arg1 = (OpenBabel::OBOp *) 0 ; OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ; char *arg3 = (char *) 0 ;
20800   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; int res3 ; char *buf3 = 0 ; int alloc3 = 0 ;
20801   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20802   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBOp, 0 |  0 ); if (!SWIG_IsOK(res1)) {
20803     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBOp_Do" "', argument " "1"" of type '" "OpenBabel::OBOp *""'");  }
20804   arg1 = reinterpret_cast< OpenBabel::OBOp * >(argp1);
20805   res2 = SWIG_R_ConvertPtr(pOb, &argp2, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res2)) {
20806     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBOp_Do" "', argument " "2"" of type '" "OpenBabel::OBBase *""'");  }
20807    arg2 = reinterpret_cast< OpenBabel::OBBase * >(argp2); res3 = SWIG_AsCharPtrAndSize(OptionText, &buf3, NULL, &alloc3);
20808   if (!SWIG_IsOK(res3)) {
20809     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBOp_Do" "', argument " "3"" of type '" "char const *""'"); }
20810   arg3 = reinterpret_cast< char * >(buf3); result = (bool)(arg1)->Do(arg2,(char const *)arg3); r_ans = Rf_ScalarLogical(result);
20811   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBOp_Do__SWIG_3(SEXP self,SEXP pOb,SEXP s_swig_copy)20812 SWIGEXPORT SEXP R_swig_OBOp_Do__SWIG_3 ( SEXP self, SEXP pOb, SEXP s_swig_copy) { bool result;
20813   OpenBabel::OBOp *arg1 = (OpenBabel::OBOp *) 0 ; OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ; void *argp1 = 0 ;
20814   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
20815   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBOp, 0 |  0 );
20816   if (!SWIG_IsOK(res1)) {
20817     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBOp_Do" "', argument " "1"" of type '" "OpenBabel::OBOp *""'");  }
20818   arg1 = reinterpret_cast< OpenBabel::OBOp * >(argp1);
20819   res2 = SWIG_R_ConvertPtr(pOb, &argp2, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res2)) {
20820     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBOp_Do" "', argument " "2"" of type '" "OpenBabel::OBBase *""'");  }
20821    arg2 = reinterpret_cast< OpenBabel::OBBase * >(argp2); result = (bool)(arg1)->Do(arg2); r_ans = Rf_ScalarLogical(result);
20822   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBOp_WorksWith(SEXP self,SEXP pOb,SEXP s_swig_copy)20823 SWIGEXPORT SEXP R_swig_OBOp_WorksWith ( SEXP self, SEXP pOb, SEXP s_swig_copy) { bool result;
20824   OpenBabel::OBOp *arg1 = (OpenBabel::OBOp *) 0 ; OpenBabel::OBBase *arg2 = (OpenBabel::OBBase *) 0 ; void *argp1 = 0 ;
20825   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
20826   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBOp, 0 |  0 );
20827   if (!SWIG_IsOK(res1)) {
20828     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBOp_WorksWith" "', argument " "1"" of type '" "OpenBabel::OBOp const *""'");  }
20829    arg1 = reinterpret_cast< OpenBabel::OBOp * >(argp1);
20830   res2 = SWIG_R_ConvertPtr(pOb, &argp2, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res2)) {
20831     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBOp_WorksWith" "', argument " "2"" of type '" "OpenBabel::OBBase *""'");  }
20832    arg2 = reinterpret_cast< OpenBabel::OBBase * >(argp2); result = (bool)((OpenBabel::OBOp const *)arg1)->WorksWith(arg2);
20833   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBOp_ProcessVec(SEXP self,SEXP s_arg2,SEXP s_swig_copy)20834 SWIGEXPORT SEXP R_swig_OBOp_ProcessVec ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
20835   OpenBabel::OBOp *arg1 = (OpenBabel::OBOp *) 0 ;
20836   std::vector< OpenBabel::OBBase *,std::allocator< OpenBabel::OBBase * > > *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
20837   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20838   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBOp, 0 |  0 ); if (!SWIG_IsOK(res1)) {
20839     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBOp_ProcessVec" "', argument " "1"" of type '" "OpenBabel::OBOp *""'");  }
20840    arg1 = reinterpret_cast< OpenBabel::OBOp * >(argp1);
20841   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBBase_p_std__allocatorT_OpenBabel__OBBase_p_t_t,  0 );
20842   if (!SWIG_IsOK(res2)) {
20843     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBOp_ProcessVec" "', argument " "2"" of type '" "std::vector< OpenBabel::OBBase *,std::allocator< OpenBabel::OBBase * > > &""'");  }
20844    if (!argp2) {
20845     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBOp_ProcessVec" "', argument " "2"" of type '" "std::vector< OpenBabel::OBBase *,std::allocator< OpenBabel::OBBase * > > &""'"); }
20846    arg2 = reinterpret_cast< std::vector< OpenBabel::OBBase *,std::allocator< OpenBabel::OBBase * > > * >(argp2);
20847   result = (bool)(arg1)->ProcessVec(*arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
20848   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBOp_OpOptions(SEXP pOb,SEXP s_swig_copy)20849 SWIGEXPORT SEXP R_swig_OBOp_OpOptions ( SEXP pOb, SEXP s_swig_copy) { std::string result;
20850   OpenBabel::OBBase *arg1 = (OpenBabel::OBBase *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
20851   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20852   res1 = SWIG_R_ConvertPtr(pOb, &argp1, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 ); if (!SWIG_IsOK(res1)) {
20853     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBOp_OpOptions" "', argument " "1"" of type '" "OpenBabel::OBBase *""'");  }
20854    arg1 = reinterpret_cast< OpenBabel::OBBase * >(argp1); result = OpenBabel::OBOp::OpOptions(arg1);
20855   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
20856   return r_ans; }
R_swig_OBOp_DoOps(SEXP pOb,SEXP pOptions,SEXP pConv,SEXP s_swig_copy)20857 SWIGEXPORT SEXP R_swig_OBOp_DoOps ( SEXP pOb, SEXP pOptions, SEXP pConv, SEXP s_swig_copy) { bool result;
20858   OpenBabel::OBBase *arg1 = (OpenBabel::OBBase *) 0 ; OpenBabel::OBOp::OpMap *arg2 = (OpenBabel::OBOp::OpMap *) 0 ;
20859   OpenBabel::OBConversion *arg3 = (OpenBabel::OBConversion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
20860   int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
20861   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(pOb, &argp1, SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
20862   if (!SWIG_IsOK(res1)) {
20863     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBOp_DoOps" "', argument " "1"" of type '" "OpenBabel::OBBase *""'");  }
20864    arg1 = reinterpret_cast< OpenBabel::OBBase * >(argp1);
20865   res2 = SWIG_R_ConvertPtr(pOptions, &argp2, SWIGTYPE_p_std__mapT_std__string_std__string_std__lessT_std__string_t_std__allocatorT_std__pairT_std__string_const_std__string_t_t_t, 0 |  0 );
20866   if (!SWIG_IsOK(res2)) {
20867     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBOp_DoOps" "', argument " "2"" of type '" "OpenBabel::OBOp::OpMap *""'");  }
20868    arg2 = reinterpret_cast< OpenBabel::OBOp::OpMap * >(argp2);
20869   res3 = SWIG_R_ConvertPtr(pConv, &argp3, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res3)) {
20870     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBOp_DoOps" "', argument " "3"" of type '" "OpenBabel::OBConversion *""'");  }
20871    arg3 = reinterpret_cast< OpenBabel::OBConversion * >(argp3);
20872   result = (bool)OpenBabel::OBOp::DoOps(arg1,(std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > const *)arg2,arg3);
20873   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBOp(SEXP self)20874 SWIGEXPORT SEXP R_swig_delete_OBOp ( SEXP self) { OpenBabel::OBOp *arg1 = (OpenBabel::OBOp *) 0 ; void *argp1 = 0 ;
20875   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20876   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBOp, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
20877     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBOp" "', argument " "1"" of type '" "OpenBabel::OBOp *""'");  }
20878    arg1 = reinterpret_cast< OpenBabel::OBOp * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
20879   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBChargeModel_Default(SEXP s_swig_copy)20880 SWIGEXPORT SEXP R_swig_OBChargeModel_Default ( SEXP s_swig_copy) { OpenBabel::OBChargeModel **result = 0 ;
20881   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20882   result = (OpenBabel::OBChargeModel **) &OpenBabel::OBChargeModel::Default();
20883   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_p_OpenBabel__OBChargeModel, R_SWIG_EXTERNAL |  0 );
20884   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBChargeModel__SWIG_0(SEXP ID,SEXP IsDefault)20885 SWIGEXPORT SEXP R_swig_new_OBChargeModel__SWIG_0 ( SEXP ID, SEXP IsDefault) { OpenBabel::OBChargeModel *result = 0 ;
20886   char *arg1 = (char *) 0 ; bool arg2 ; int res1 ; char *buf1 = 0 ; int alloc1 = 0 ; unsigned int r_nprotect = 0;
20887   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_AsCharPtrAndSize(ID, &buf1, NULL, &alloc1);
20888   if (!SWIG_IsOK(res1)) {
20889     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBChargeModel" "', argument " "1"" of type '" "char const *""'"); }
20890    arg1 = reinterpret_cast< char * >(buf1); arg2 = LOGICAL(IsDefault)[0] ? true : false;
20891   result = (OpenBabel::OBChargeModel *)new OpenBabel::OBChargeModel((char const *)arg1,arg2);
20892   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBChargeModel, R_SWIG_OWNER |  0 );
20893   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBChargeModel__SWIG_1(SEXP ID)20894 SWIGEXPORT SEXP R_swig_new_OBChargeModel__SWIG_1 ( SEXP ID) { OpenBabel::OBChargeModel *result = 0 ; char *arg1 = (char *) 0 ;
20895   int res1 ; char *buf1 = 0 ; int alloc1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
20896   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_AsCharPtrAndSize(ID, &buf1, NULL, &alloc1); if (!SWIG_IsOK(res1)) {
20897     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBChargeModel" "', argument " "1"" of type '" "char const *""'"); }
20898    arg1 = reinterpret_cast< char * >(buf1);
20899   result = (OpenBabel::OBChargeModel *)new OpenBabel::OBChargeModel((char const *)arg1);
20900   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBChargeModel, R_SWIG_OWNER |  0 );
20901   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBChargeModel_FindType(SEXP ID)20902 SWIGEXPORT SEXP R_swig_OBChargeModel_FindType ( SEXP ID) { OpenBabel::OBChargeModel *result = 0 ; char *arg1 = (char *) 0 ;
20903   int res1 ; char *buf1 = 0 ; int alloc1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
20904   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_AsCharPtrAndSize(ID, &buf1, NULL, &alloc1); if (!SWIG_IsOK(res1)) {
20905     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBChargeModel_FindType" "', argument " "1"" of type '" "char const *""'"); }
20906    arg1 = reinterpret_cast< char * >(buf1);
20907   result = (OpenBabel::OBChargeModel *)OpenBabel::OBChargeModel::FindType((char const *)arg1);
20908   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBChargeModel, R_SWIG_EXTERNAL |  0 );
20909   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBChargeModel_ComputeCharges(SEXP self,SEXP s_arg2,SEXP s_swig_copy)20910 SWIGEXPORT SEXP R_swig_OBChargeModel_ComputeCharges ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
20911   OpenBabel::OBChargeModel *arg1 = (OpenBabel::OBChargeModel *) 0 ; OpenBabel::OBMol *arg2 = 0 ; void *argp1 = 0 ;
20912   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
20913   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBChargeModel, 0 |  0 );
20914   if (!SWIG_IsOK(res1)) {
20915     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBChargeModel_ComputeCharges" "', argument " "1"" of type '" "OpenBabel::OBChargeModel *""'");  }
20916    arg1 = reinterpret_cast< OpenBabel::OBChargeModel * >(argp1);
20917   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
20918     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBChargeModel_ComputeCharges" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
20919    if (!argp2) {
20920     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBChargeModel_ComputeCharges" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
20921    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); result = (bool)(arg1)->ComputeCharges(*arg2);
20922   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBChargeModel_GetFormalCharges(SEXP self,SEXP s_swig_copy)20923 SWIGEXPORT SEXP R_swig_OBChargeModel_GetFormalCharges ( SEXP self, SEXP s_swig_copy) {
20924   std::vector< double,std::allocator< double > > *result = 0 ; OpenBabel::OBChargeModel *arg1 = (OpenBabel::OBChargeModel *) 0 ;
20925   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20926   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBChargeModel, 0 |  0 ); if (!SWIG_IsOK(res1)) {
20927     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBChargeModel_GetFormalCharges" "', argument " "1"" of type '" "OpenBabel::OBChargeModel const *""'");  }
20928    arg1 = reinterpret_cast< OpenBabel::OBChargeModel * >(argp1);
20929   result = (std::vector< double,std::allocator< double > > *) &((OpenBabel::OBChargeModel const *)arg1)->GetFormalCharges();
20930   r_ans = swig::from(static_cast< std::vector<double,std::allocator< double > > >(*result)); vmaxset(r_vmax);
20931   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBChargeModel_GetPartialCharges(SEXP self,SEXP s_swig_copy)20932 SWIGEXPORT SEXP R_swig_OBChargeModel_GetPartialCharges ( SEXP self, SEXP s_swig_copy) {
20933   std::vector< double,std::allocator< double > > *result = 0 ; OpenBabel::OBChargeModel *arg1 = (OpenBabel::OBChargeModel *) 0 ;
20934   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20935   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBChargeModel, 0 |  0 ); if (!SWIG_IsOK(res1)) {
20936     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBChargeModel_GetPartialCharges" "', argument " "1"" of type '" "OpenBabel::OBChargeModel const *""'");  }
20937    arg1 = reinterpret_cast< OpenBabel::OBChargeModel * >(argp1);
20938   result = (std::vector< double,std::allocator< double > > *) &((OpenBabel::OBChargeModel const *)arg1)->GetPartialCharges();
20939   r_ans = swig::from(static_cast< std::vector<double,std::allocator< double > > >(*result)); vmaxset(r_vmax);
20940   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBChargeModel_GetDipoleMoment(SEXP self,SEXP s_arg2,SEXP s_swig_copy)20941 SWIGEXPORT SEXP R_swig_OBChargeModel_GetDipoleMoment ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { OpenBabel::vector3 result;
20942   OpenBabel::OBChargeModel *arg1 = (OpenBabel::OBChargeModel *) 0 ; OpenBabel::OBMol *arg2 = 0 ; void *argp1 = 0 ;
20943   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
20944   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBChargeModel, 0 |  0 );
20945   if (!SWIG_IsOK(res1)) {
20946     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBChargeModel_GetDipoleMoment" "', argument " "1"" of type '" "OpenBabel::OBChargeModel *""'");  }
20947    arg1 = reinterpret_cast< OpenBabel::OBChargeModel * >(argp1);
20948   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
20949     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBChargeModel_GetDipoleMoment" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
20950    if (!argp2) {
20951     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBChargeModel_GetDipoleMoment" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
20952    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); result = (arg1)->GetDipoleMoment(*arg2);
20953   r_ans = SWIG_R_NewPointerObj((new OpenBabel::vector3(static_cast< const OpenBabel::vector3& >(result))), SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_OWN |  0 );
20954   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBChargeModel(SEXP self)20955 SWIGEXPORT SEXP R_swig_delete_OBChargeModel ( SEXP self) { OpenBabel::OBChargeModel *arg1 = (OpenBabel::OBChargeModel *) 0 ;
20956   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20957   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBChargeModel, SWIG_POINTER_DISOWN |  0 );
20958   if (!SWIG_IsOK(res1)) {
20959     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBChargeModel" "', argument " "1"" of type '" "OpenBabel::OBChargeModel *""'");  }
20960    arg1 = reinterpret_cast< OpenBabel::OBChargeModel * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
20961   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_new_OBGraphSym__SWIG_0(SEXP pmol,SEXP frag_atoms)20962 SWIGEXPORT SEXP R_swig_new_OBGraphSym__SWIG_0 ( SEXP pmol, SEXP frag_atoms) { OpenBabel::OBGraphSym *result = 0 ;
20963   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; OpenBabel::OBBitVec *arg2 = (OpenBabel::OBBitVec *) 0 ; void *argp1 = 0 ;
20964   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
20965   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(pmol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
20966   if (!SWIG_IsOK(res1)) {
20967     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBGraphSym" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
20968    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
20969   res2 = SWIG_R_ConvertPtr(frag_atoms, &argp2, SWIGTYPE_p_OpenBabel__OBBitVec, 0 |  0 ); if (!SWIG_IsOK(res2)) {
20970     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_OBGraphSym" "', argument " "2"" of type '" "OpenBabel::OBBitVec const *""'");  }
20971    arg2 = reinterpret_cast< OpenBabel::OBBitVec * >(argp2);
20972   result = (OpenBabel::OBGraphSym *)new OpenBabel::OBGraphSym(arg1,(OpenBabel::OBBitVec const *)arg2);
20973   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGraphSym, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
20974   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBGraphSym__SWIG_1(SEXP pmol)20975 SWIGEXPORT SEXP R_swig_new_OBGraphSym__SWIG_1 ( SEXP pmol) { OpenBabel::OBGraphSym *result = 0 ;
20976   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
20977   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20978   res1 = SWIG_R_ConvertPtr(pmol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
20979     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBGraphSym" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
20980    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (OpenBabel::OBGraphSym *)new OpenBabel::OBGraphSym(arg1);
20981   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGraphSym, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
20982   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBGraphSym(SEXP self)20983 SWIGEXPORT SEXP R_swig_delete_OBGraphSym ( SEXP self) { OpenBabel::OBGraphSym *arg1 = (OpenBabel::OBGraphSym *) 0 ;
20984   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20985   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBGraphSym, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
20986     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBGraphSym" "', argument " "1"" of type '" "OpenBabel::OBGraphSym *""'");  }
20987    arg1 = reinterpret_cast< OpenBabel::OBGraphSym * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
20988   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBGraphSym_NoSymmetryClass_get(SEXP s_swig_copy)20989 SWIGEXPORT SEXP R_swig_OBGraphSym_NoSymmetryClass_get ( SEXP s_swig_copy) { unsigned int result; unsigned int r_nprotect = 0;
20990   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20991   result = (unsigned int)(unsigned int)OpenBabel::OBGraphSym::NoSymmetryClass;
20992   r_ans = SWIG_From_unsigned_SS_int(static_cast< unsigned int >(result)); vmaxset(r_vmax);
20993   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBGraphSym_GetSymmetry(SEXP self,SEXP symmetry_classes,SEXP s_swig_copy)20994 SWIGEXPORT SEXP R_swig_OBGraphSym_GetSymmetry ( SEXP self, SEXP symmetry_classes, SEXP s_swig_copy) { int result;
20995   OpenBabel::OBGraphSym *arg1 = (OpenBabel::OBGraphSym *) 0 ;
20996   std::vector< unsigned int,std::allocator< unsigned int > > *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
20997   int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
20998   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBGraphSym, 0 |  0 ); if (!SWIG_IsOK(res1)) {
20999     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGraphSym_GetSymmetry" "', argument " "1"" of type '" "OpenBabel::OBGraphSym *""'");  }
21000    arg1 = reinterpret_cast< OpenBabel::OBGraphSym * >(argp1);
21001   res2 = SWIG_R_ConvertPtr(symmetry_classes, &argp2, SWIGTYPE_p_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t,  0 );
21002   if (!SWIG_IsOK(res2)) {
21003     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBGraphSym_GetSymmetry" "', argument " "2"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > &""'");  }
21004    if (!argp2) {
21005     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBGraphSym_GetSymmetry" "', argument " "2"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > &""'"); }
21006    arg2 = reinterpret_cast< std::vector< unsigned int,std::allocator< unsigned int > > * >(argp2);
21007   result = (int)(arg1)->GetSymmetry(*arg2); r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax);
21008   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBGraphSym_ClearSymmetry(SEXP self)21009 SWIGEXPORT SEXP R_swig_OBGraphSym_ClearSymmetry ( SEXP self) { OpenBabel::OBGraphSym *arg1 = (OpenBabel::OBGraphSym *) 0 ;
21010   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
21011   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBGraphSym, 0 |  0 ); if (!SWIG_IsOK(res1)) {
21012     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBGraphSym_ClearSymmetry" "', argument " "1"" of type '" "OpenBabel::OBGraphSym *""'");  }
21013    arg1 = reinterpret_cast< OpenBabel::OBGraphSym * >(argp1); (arg1)->ClearSymmetry(); r_ans = R_NilValue; vmaxset(r_vmax);
21014   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBIsomorphismMapper(SEXP self)21015 SWIGEXPORT SEXP R_swig_delete_OBIsomorphismMapper ( SEXP self) {
21016   OpenBabel::OBIsomorphismMapper *arg1 = (OpenBabel::OBIsomorphismMapper *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
21017   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
21018   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBIsomorphismMapper, SWIG_POINTER_DISOWN |  0 );
21019   if (!SWIG_IsOK(res1)) {
21020     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBIsomorphismMapper" "', argument " "1"" of type '" "OpenBabel::OBIsomorphismMapper *""'");  }
21021    arg1 = reinterpret_cast< OpenBabel::OBIsomorphismMapper * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
21022   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBIsomorphismMapper_GetInstance__SWIG_0(SEXP query,SEXP algorithm)21023 SWIGEXPORT SEXP R_swig_OBIsomorphismMapper_GetInstance__SWIG_0 ( SEXP query, SEXP algorithm) {
21024   OpenBabel::OBIsomorphismMapper *result = 0 ; OpenBabel::OBQuery *arg1 = (OpenBabel::OBQuery *) 0 ; std::string *arg2 = 0 ;
21025   void *argp1 = 0 ; int res1 = 0 ; int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
21026   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(query, &argp1, SWIGTYPE_p_OpenBabel__OBQuery, 0 |  0 );
21027   if (!SWIG_IsOK(res1)) {
21028     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBIsomorphismMapper_GetInstance" "', argument " "1"" of type '" "OpenBabel::OBQuery *""'");  }
21029    arg1 = reinterpret_cast< OpenBabel::OBQuery * >(argp1); { std::string *ptr = (std::string *)0;
21030     res2 = SWIG_AsPtr_std_string(algorithm, &ptr); if (!SWIG_IsOK(res2)) {
21031       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBIsomorphismMapper_GetInstance" "', argument " "2"" of type '" "std::string const &""'"); }
21032      if (!ptr) {
21033       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBIsomorphismMapper_GetInstance" "', argument " "2"" of type '" "std::string const &""'"); }
21034      arg2 = ptr; }
21035   result = (OpenBabel::OBIsomorphismMapper *)OpenBabel::OBIsomorphismMapper::GetInstance(arg1,(std::string const &)*arg2);
21036   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBIsomorphismMapper, R_SWIG_EXTERNAL |  0 );
21037   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBIsomorphismMapper_GetInstance__SWIG_1(SEXP query)21038 SWIGEXPORT SEXP R_swig_OBIsomorphismMapper_GetInstance__SWIG_1 ( SEXP query) { OpenBabel::OBIsomorphismMapper *result = 0 ;
21039   OpenBabel::OBQuery *arg1 = (OpenBabel::OBQuery *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
21040   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
21041   res1 = SWIG_R_ConvertPtr(query, &argp1, SWIGTYPE_p_OpenBabel__OBQuery, 0 |  0 ); if (!SWIG_IsOK(res1)) {
21042     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBIsomorphismMapper_GetInstance" "', argument " "1"" of type '" "OpenBabel::OBQuery *""'");  }
21043    arg1 = reinterpret_cast< OpenBabel::OBQuery * >(argp1);
21044   result = (OpenBabel::OBIsomorphismMapper *)OpenBabel::OBIsomorphismMapper::GetInstance(arg1);
21045   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBIsomorphismMapper, R_SWIG_EXTERNAL |  0 );
21046   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBIsomorphismMapper_MapFirst__SWIG_0(SEXP self,SEXP queried,SEXP map,SEXP mask)21047 SWIGEXPORT SEXP R_swig_OBIsomorphismMapper_MapFirst__SWIG_0 ( SEXP self, SEXP queried, SEXP map, SEXP mask) {
21048   OpenBabel::OBIsomorphismMapper *arg1 = (OpenBabel::OBIsomorphismMapper *) 0 ;
21049   OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; OpenBabel::OBIsomorphismMapper::Mapping *arg3 = 0 ;
21050   OpenBabel::OBBitVec *arg4 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ;
21051   int res3 = 0 ; void *argp4 ; int res4 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
21052   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBIsomorphismMapper, 0 |  0 );
21053   if (!SWIG_IsOK(res1)) {
21054     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBIsomorphismMapper_MapFirst" "', argument " "1"" of type '" "OpenBabel::OBIsomorphismMapper *""'");  }
21055    arg1 = reinterpret_cast< OpenBabel::OBIsomorphismMapper * >(argp1);
21056   res2 = SWIG_R_ConvertPtr(queried, &argp2, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res2)) {
21057     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBIsomorphismMapper_MapFirst" "', argument " "2"" of type '" "OpenBabel::OBMol const *""'");  }
21058    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2);
21059   res3 = SWIG_R_ConvertPtr(map, &argp3, SWIGTYPE_p_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t,  0 );
21060   if (!SWIG_IsOK(res3)) {
21061     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBIsomorphismMapper_MapFirst" "', argument " "3"" of type '" "OpenBabel::OBIsomorphismMapper::Mapping &""'");  }
21062    if (!argp3) {
21063     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBIsomorphismMapper_MapFirst" "', argument " "3"" of type '" "OpenBabel::OBIsomorphismMapper::Mapping &""'"); }
21064    arg3 = reinterpret_cast< OpenBabel::OBIsomorphismMapper::Mapping * >(argp3);
21065   res4 = SWIG_R_ConvertPtr(mask, &argp4, SWIGTYPE_p_OpenBabel__OBBitVec,  0 ); if (!SWIG_IsOK(res4)) {
21066     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "OBIsomorphismMapper_MapFirst" "', argument " "4"" of type '" "OpenBabel::OBBitVec const &""'");  }
21067    if (!argp4) {
21068     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBIsomorphismMapper_MapFirst" "', argument " "4"" of type '" "OpenBabel::OBBitVec const &""'"); }
21069    arg4 = reinterpret_cast< OpenBabel::OBBitVec * >(argp4);
21070   (arg1)->MapFirst((OpenBabel::OBMol const *)arg2,*arg3,(OpenBabel::OBBitVec const &)*arg4); r_ans = R_NilValue;
21071   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBIsomorphismMapper_MapFirst__SWIG_1(SEXP self,SEXP queried,SEXP map)21072 SWIGEXPORT SEXP R_swig_OBIsomorphismMapper_MapFirst__SWIG_1 ( SEXP self, SEXP queried, SEXP map) {
21073   OpenBabel::OBIsomorphismMapper *arg1 = (OpenBabel::OBIsomorphismMapper *) 0 ;
21074   OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; OpenBabel::OBIsomorphismMapper::Mapping *arg3 = 0 ; void *argp1 = 0 ;
21075   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0;
21076   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
21077   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBIsomorphismMapper, 0 |  0 ); if (!SWIG_IsOK(res1)) {
21078     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBIsomorphismMapper_MapFirst" "', argument " "1"" of type '" "OpenBabel::OBIsomorphismMapper *""'");  }
21079    arg1 = reinterpret_cast< OpenBabel::OBIsomorphismMapper * >(argp1);
21080   res2 = SWIG_R_ConvertPtr(queried, &argp2, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res2)) {
21081     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBIsomorphismMapper_MapFirst" "', argument " "2"" of type '" "OpenBabel::OBMol const *""'");  }
21082    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2);
21083   res3 = SWIG_R_ConvertPtr(map, &argp3, SWIGTYPE_p_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t,  0 );
21084   if (!SWIG_IsOK(res3)) {
21085     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBIsomorphismMapper_MapFirst" "', argument " "3"" of type '" "OpenBabel::OBIsomorphismMapper::Mapping &""'");  }
21086    if (!argp3) {
21087     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBIsomorphismMapper_MapFirst" "', argument " "3"" of type '" "OpenBabel::OBIsomorphismMapper::Mapping &""'"); }
21088    arg3 = reinterpret_cast< OpenBabel::OBIsomorphismMapper::Mapping * >(argp3);
21089   (arg1)->MapFirst((OpenBabel::OBMol const *)arg2,*arg3); r_ans = R_NilValue; vmaxset(r_vmax);
21090   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBIsomorphismMapper_MapUnique__SWIG_0(SEXP self,SEXP queried,SEXP maps,SEXP mask)21091 SWIGEXPORT SEXP R_swig_OBIsomorphismMapper_MapUnique__SWIG_0 ( SEXP self, SEXP queried, SEXP maps, SEXP mask) {
21092   OpenBabel::OBIsomorphismMapper *arg1 = (OpenBabel::OBIsomorphismMapper *) 0 ;
21093   OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; OpenBabel::OBIsomorphismMapper::Mappings *arg3 = 0 ;
21094   OpenBabel::OBBitVec *arg4 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ;
21095   int res3 = 0 ; void *argp4 ; int res4 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
21096   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBIsomorphismMapper, 0 |  0 );
21097   if (!SWIG_IsOK(res1)) {
21098     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBIsomorphismMapper_MapUnique" "', argument " "1"" of type '" "OpenBabel::OBIsomorphismMapper *""'");  }
21099    arg1 = reinterpret_cast< OpenBabel::OBIsomorphismMapper * >(argp1);
21100   res2 = SWIG_R_ConvertPtr(queried, &argp2, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res2)) {
21101     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBIsomorphismMapper_MapUnique" "', argument " "2"" of type '" "OpenBabel::OBMol const *""'");  }
21102    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2);
21103   res3 = SWIG_R_ConvertPtr(maps, &argp3, SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t,  0 );
21104   if (!SWIG_IsOK(res3)) {
21105     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBIsomorphismMapper_MapUnique" "', argument " "3"" of type '" "OpenBabel::OBIsomorphismMapper::Mappings &""'");  }
21106    if (!argp3) {
21107     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBIsomorphismMapper_MapUnique" "', argument " "3"" of type '" "OpenBabel::OBIsomorphismMapper::Mappings &""'"); }
21108    arg3 = reinterpret_cast< OpenBabel::OBIsomorphismMapper::Mappings * >(argp3);
21109   res4 = SWIG_R_ConvertPtr(mask, &argp4, SWIGTYPE_p_OpenBabel__OBBitVec,  0 ); if (!SWIG_IsOK(res4)) {
21110     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "OBIsomorphismMapper_MapUnique" "', argument " "4"" of type '" "OpenBabel::OBBitVec const &""'");  }
21111    if (!argp4) {
21112     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBIsomorphismMapper_MapUnique" "', argument " "4"" of type '" "OpenBabel::OBBitVec const &""'"); }
21113    arg4 = reinterpret_cast< OpenBabel::OBBitVec * >(argp4);
21114   (arg1)->MapUnique((OpenBabel::OBMol const *)arg2,*arg3,(OpenBabel::OBBitVec const &)*arg4); r_ans = R_NilValue;
21115   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBIsomorphismMapper_MapUnique__SWIG_1(SEXP self,SEXP queried,SEXP maps)21116 SWIGEXPORT SEXP R_swig_OBIsomorphismMapper_MapUnique__SWIG_1 ( SEXP self, SEXP queried, SEXP maps) {
21117   OpenBabel::OBIsomorphismMapper *arg1 = (OpenBabel::OBIsomorphismMapper *) 0 ;
21118   OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; OpenBabel::OBIsomorphismMapper::Mappings *arg3 = 0 ; void *argp1 = 0 ;
21119   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0;
21120   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
21121   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBIsomorphismMapper, 0 |  0 ); if (!SWIG_IsOK(res1)) {
21122     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBIsomorphismMapper_MapUnique" "', argument " "1"" of type '" "OpenBabel::OBIsomorphismMapper *""'");  }
21123    arg1 = reinterpret_cast< OpenBabel::OBIsomorphismMapper * >(argp1);
21124   res2 = SWIG_R_ConvertPtr(queried, &argp2, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res2)) {
21125     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBIsomorphismMapper_MapUnique" "', argument " "2"" of type '" "OpenBabel::OBMol const *""'");  }
21126    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2);
21127   res3 = SWIG_R_ConvertPtr(maps, &argp3, SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t,  0 );
21128   if (!SWIG_IsOK(res3)) {
21129     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBIsomorphismMapper_MapUnique" "', argument " "3"" of type '" "OpenBabel::OBIsomorphismMapper::Mappings &""'");  }
21130    if (!argp3) {
21131     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBIsomorphismMapper_MapUnique" "', argument " "3"" of type '" "OpenBabel::OBIsomorphismMapper::Mappings &""'"); }
21132    arg3 = reinterpret_cast< OpenBabel::OBIsomorphismMapper::Mappings * >(argp3);
21133   (arg1)->MapUnique((OpenBabel::OBMol const *)arg2,*arg3); r_ans = R_NilValue; vmaxset(r_vmax);
21134   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBIsomorphismMapper_MapAll__SWIG_0(SEXP self,SEXP queried,SEXP maps,SEXP mask,SEXP maxMemory)21135 SWIGEXPORT SEXP R_swig_OBIsomorphismMapper_MapAll__SWIG_0 ( SEXP self, SEXP queried, SEXP maps, SEXP mask, SEXP maxMemory) {
21136   OpenBabel::OBIsomorphismMapper *arg1 = (OpenBabel::OBIsomorphismMapper *) 0 ;
21137   OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; OpenBabel::OBIsomorphismMapper::Mappings *arg3 = 0 ;
21138   OpenBabel::OBBitVec *arg4 = 0 ; std::size_t arg5 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
21139   void *argp3 = 0 ; int res3 = 0 ; void *argp4 ; int res4 = 0 ; int val5 ; int ecode5 = 0 ; unsigned int r_nprotect = 0;
21140   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
21141   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBIsomorphismMapper, 0 |  0 ); if (!SWIG_IsOK(res1)) {
21142     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBIsomorphismMapper_MapAll" "', argument " "1"" of type '" "OpenBabel::OBIsomorphismMapper *""'");  }
21143    arg1 = reinterpret_cast< OpenBabel::OBIsomorphismMapper * >(argp1);
21144   res2 = SWIG_R_ConvertPtr(queried, &argp2, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res2)) {
21145     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBIsomorphismMapper_MapAll" "', argument " "2"" of type '" "OpenBabel::OBMol const *""'");  }
21146    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2);
21147   res3 = SWIG_R_ConvertPtr(maps, &argp3, SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t,  0 );
21148   if (!SWIG_IsOK(res3)) {
21149     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBIsomorphismMapper_MapAll" "', argument " "3"" of type '" "OpenBabel::OBIsomorphismMapper::Mappings &""'");  }
21150    if (!argp3) {
21151     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBIsomorphismMapper_MapAll" "', argument " "3"" of type '" "OpenBabel::OBIsomorphismMapper::Mappings &""'"); }
21152    arg3 = reinterpret_cast< OpenBabel::OBIsomorphismMapper::Mappings * >(argp3);
21153   res4 = SWIG_R_ConvertPtr(mask, &argp4, SWIGTYPE_p_OpenBabel__OBBitVec,  0 ); if (!SWIG_IsOK(res4)) {
21154     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "OBIsomorphismMapper_MapAll" "', argument " "4"" of type '" "OpenBabel::OBBitVec const &""'");  }
21155    if (!argp4) {
21156     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBIsomorphismMapper_MapAll" "', argument " "4"" of type '" "OpenBabel::OBBitVec const &""'"); }
21157    arg4 = reinterpret_cast< OpenBabel::OBBitVec * >(argp4); ecode5 = SWIG_AsVal_int(maxMemory, &val5); if (!SWIG_IsOK(ecode5)) {
21158     SWIG_exception_fail(SWIG_ArgError(ecode5), "in method '" "OBIsomorphismMapper_MapAll" "', argument " "5"" of type '" "std::size_t""'"); }
21159     arg5 = static_cast< std::size_t >(val5);
21160   (arg1)->MapAll((OpenBabel::OBMol const *)arg2,*arg3,(OpenBabel::OBBitVec const &)*arg4,arg5); r_ans = R_NilValue;
21161   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBIsomorphismMapper_MapAll__SWIG_1(SEXP self,SEXP queried,SEXP maps,SEXP mask)21162 SWIGEXPORT SEXP R_swig_OBIsomorphismMapper_MapAll__SWIG_1 ( SEXP self, SEXP queried, SEXP maps, SEXP mask) {
21163   OpenBabel::OBIsomorphismMapper *arg1 = (OpenBabel::OBIsomorphismMapper *) 0 ;
21164   OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; OpenBabel::OBIsomorphismMapper::Mappings *arg3 = 0 ;
21165   OpenBabel::OBBitVec *arg4 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ;
21166   int res3 = 0 ; void *argp4 ; int res4 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
21167   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBIsomorphismMapper, 0 |  0 );
21168   if (!SWIG_IsOK(res1)) {
21169     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBIsomorphismMapper_MapAll" "', argument " "1"" of type '" "OpenBabel::OBIsomorphismMapper *""'");  }
21170    arg1 = reinterpret_cast< OpenBabel::OBIsomorphismMapper * >(argp1);
21171   res2 = SWIG_R_ConvertPtr(queried, &argp2, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res2)) {
21172     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBIsomorphismMapper_MapAll" "', argument " "2"" of type '" "OpenBabel::OBMol const *""'");  }
21173    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2);
21174   res3 = SWIG_R_ConvertPtr(maps, &argp3, SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t,  0 );
21175   if (!SWIG_IsOK(res3)) {
21176     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBIsomorphismMapper_MapAll" "', argument " "3"" of type '" "OpenBabel::OBIsomorphismMapper::Mappings &""'");  }
21177    if (!argp3) {
21178     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBIsomorphismMapper_MapAll" "', argument " "3"" of type '" "OpenBabel::OBIsomorphismMapper::Mappings &""'"); }
21179    arg3 = reinterpret_cast< OpenBabel::OBIsomorphismMapper::Mappings * >(argp3);
21180   res4 = SWIG_R_ConvertPtr(mask, &argp4, SWIGTYPE_p_OpenBabel__OBBitVec,  0 ); if (!SWIG_IsOK(res4)) {
21181     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "OBIsomorphismMapper_MapAll" "', argument " "4"" of type '" "OpenBabel::OBBitVec const &""'");  }
21182    if (!argp4) {
21183     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBIsomorphismMapper_MapAll" "', argument " "4"" of type '" "OpenBabel::OBBitVec const &""'"); }
21184    arg4 = reinterpret_cast< OpenBabel::OBBitVec * >(argp4);
21185   (arg1)->MapAll((OpenBabel::OBMol const *)arg2,*arg3,(OpenBabel::OBBitVec const &)*arg4); r_ans = R_NilValue; vmaxset(r_vmax);
21186   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBIsomorphismMapper_MapAll__SWIG_2(SEXP self,SEXP queried,SEXP maps)21187 SWIGEXPORT SEXP R_swig_OBIsomorphismMapper_MapAll__SWIG_2 ( SEXP self, SEXP queried, SEXP maps) {
21188   OpenBabel::OBIsomorphismMapper *arg1 = (OpenBabel::OBIsomorphismMapper *) 0 ;
21189   OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; OpenBabel::OBIsomorphismMapper::Mappings *arg3 = 0 ; void *argp1 = 0 ;
21190   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0;
21191   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
21192   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBIsomorphismMapper, 0 |  0 ); if (!SWIG_IsOK(res1)) {
21193     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBIsomorphismMapper_MapAll" "', argument " "1"" of type '" "OpenBabel::OBIsomorphismMapper *""'");  }
21194    arg1 = reinterpret_cast< OpenBabel::OBIsomorphismMapper * >(argp1);
21195   res2 = SWIG_R_ConvertPtr(queried, &argp2, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res2)) {
21196     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBIsomorphismMapper_MapAll" "', argument " "2"" of type '" "OpenBabel::OBMol const *""'");  }
21197    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2);
21198   res3 = SWIG_R_ConvertPtr(maps, &argp3, SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t,  0 );
21199   if (!SWIG_IsOK(res3)) {
21200     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBIsomorphismMapper_MapAll" "', argument " "3"" of type '" "OpenBabel::OBIsomorphismMapper::Mappings &""'");  }
21201    if (!argp3) {
21202     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBIsomorphismMapper_MapAll" "', argument " "3"" of type '" "OpenBabel::OBIsomorphismMapper::Mappings &""'"); }
21203    arg3 = reinterpret_cast< OpenBabel::OBIsomorphismMapper::Mappings * >(argp3);
21204   (arg1)->MapAll((OpenBabel::OBMol const *)arg2,*arg3); r_ans = R_NilValue; vmaxset(r_vmax);
21205   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBIsomorphismMapper_MapGeneric__SWIG_0(SEXP self,SEXP functor,SEXP queried,SEXP mask)21206 SWIGEXPORT SEXP R_swig_OBIsomorphismMapper_MapGeneric__SWIG_0 ( SEXP self, SEXP functor, SEXP queried, SEXP mask) {
21207   OpenBabel::OBIsomorphismMapper *arg1 = (OpenBabel::OBIsomorphismMapper *) 0 ;
21208   OpenBabel::OBIsomorphismMapper::Functor *arg2 = 0 ; OpenBabel::OBMol *arg3 = (OpenBabel::OBMol *) 0 ;
21209   OpenBabel::OBBitVec *arg4 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ;
21210   int res3 = 0 ; void *argp4 ; int res4 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
21211   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBIsomorphismMapper, 0 |  0 );
21212   if (!SWIG_IsOK(res1)) {
21213     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBIsomorphismMapper_MapGeneric" "', argument " "1"" of type '" "OpenBabel::OBIsomorphismMapper *""'");  }
21214    arg1 = reinterpret_cast< OpenBabel::OBIsomorphismMapper * >(argp1);
21215   res2 = SWIG_R_ConvertPtr(functor, &argp2, SWIGTYPE_p_OpenBabel__OBIsomorphismMapper__Functor,  0 ); if (!SWIG_IsOK(res2)) {
21216     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBIsomorphismMapper_MapGeneric" "', argument " "2"" of type '" "OpenBabel::OBIsomorphismMapper::Functor &""'");  }
21217    if (!argp2) {
21218     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBIsomorphismMapper_MapGeneric" "', argument " "2"" of type '" "OpenBabel::OBIsomorphismMapper::Functor &""'"); }
21219    arg2 = reinterpret_cast< OpenBabel::OBIsomorphismMapper::Functor * >(argp2);
21220   res3 = SWIG_R_ConvertPtr(queried, &argp3, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res3)) {
21221     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBIsomorphismMapper_MapGeneric" "', argument " "3"" of type '" "OpenBabel::OBMol const *""'");  }
21222    arg3 = reinterpret_cast< OpenBabel::OBMol * >(argp3);
21223   res4 = SWIG_R_ConvertPtr(mask, &argp4, SWIGTYPE_p_OpenBabel__OBBitVec,  0 ); if (!SWIG_IsOK(res4)) {
21224     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "OBIsomorphismMapper_MapGeneric" "', argument " "4"" of type '" "OpenBabel::OBBitVec const &""'");  }
21225    if (!argp4) {
21226     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBIsomorphismMapper_MapGeneric" "', argument " "4"" of type '" "OpenBabel::OBBitVec const &""'"); }
21227    arg4 = reinterpret_cast< OpenBabel::OBBitVec * >(argp4);
21228   (arg1)->MapGeneric(*arg2,(OpenBabel::OBMol const *)arg3,(OpenBabel::OBBitVec const &)*arg4); r_ans = R_NilValue;
21229   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBIsomorphismMapper_MapGeneric__SWIG_1(SEXP self,SEXP functor,SEXP queried)21230 SWIGEXPORT SEXP R_swig_OBIsomorphismMapper_MapGeneric__SWIG_1 ( SEXP self, SEXP functor, SEXP queried) {
21231   OpenBabel::OBIsomorphismMapper *arg1 = (OpenBabel::OBIsomorphismMapper *) 0 ;
21232   OpenBabel::OBIsomorphismMapper::Functor *arg2 = 0 ; OpenBabel::OBMol *arg3 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ;
21233   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0;
21234   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
21235   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBIsomorphismMapper, 0 |  0 ); if (!SWIG_IsOK(res1)) {
21236     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBIsomorphismMapper_MapGeneric" "', argument " "1"" of type '" "OpenBabel::OBIsomorphismMapper *""'");  }
21237    arg1 = reinterpret_cast< OpenBabel::OBIsomorphismMapper * >(argp1);
21238   res2 = SWIG_R_ConvertPtr(functor, &argp2, SWIGTYPE_p_OpenBabel__OBIsomorphismMapper__Functor,  0 ); if (!SWIG_IsOK(res2)) {
21239     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBIsomorphismMapper_MapGeneric" "', argument " "2"" of type '" "OpenBabel::OBIsomorphismMapper::Functor &""'");  }
21240    if (!argp2) {
21241     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBIsomorphismMapper_MapGeneric" "', argument " "2"" of type '" "OpenBabel::OBIsomorphismMapper::Functor &""'"); }
21242    arg2 = reinterpret_cast< OpenBabel::OBIsomorphismMapper::Functor * >(argp2);
21243   res3 = SWIG_R_ConvertPtr(queried, &argp3, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res3)) {
21244     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBIsomorphismMapper_MapGeneric" "', argument " "3"" of type '" "OpenBabel::OBMol const *""'");  }
21245    arg3 = reinterpret_cast< OpenBabel::OBMol * >(argp3); (arg1)->MapGeneric(*arg2,(OpenBabel::OBMol const *)arg3);
21246   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBIsomorphismMapper_SetTimeout(SEXP self,SEXP seconds)21247 SWIGEXPORT SEXP R_swig_OBIsomorphismMapper_SetTimeout ( SEXP self, SEXP seconds) {
21248   OpenBabel::OBIsomorphismMapper *arg1 = (OpenBabel::OBIsomorphismMapper *) 0 ; unsigned int arg2 ; void *argp1 = 0 ;
21249   int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
21250   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBIsomorphismMapper, 0 |  0 );
21251   if (!SWIG_IsOK(res1)) {
21252     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBIsomorphismMapper_SetTimeout" "', argument " "1"" of type '" "OpenBabel::OBIsomorphismMapper *""'");  }
21253    arg1 = reinterpret_cast< OpenBabel::OBIsomorphismMapper * >(argp1); ecode2 = SWIG_AsVal_int(seconds, &val2);
21254   if (!SWIG_IsOK(ecode2)) {
21255     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBIsomorphismMapper_SetTimeout" "', argument " "2"" of type '" "unsigned int""'"); }
21256     arg2 = static_cast< unsigned int >(val2); (arg1)->SetTimeout(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
21257   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_MapsTo(SEXP map,SEXP queryIndex,SEXP queriedIndex,SEXP s_swig_copy)21258 SWIGEXPORT SEXP R_swig_MapsTo ( SEXP map, SEXP queryIndex, SEXP queriedIndex, SEXP s_swig_copy) { bool result;
21259   OpenBabel::OBIsomorphismMapper::Mapping *arg1 = 0 ; unsigned int arg2 ; unsigned int *arg3 = 0 ; int res1 = SWIG_OLDOBJ ;
21260   int val2 ; int ecode2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
21261   VMAXTYPE r_vmax = vmaxget() ; {
21262     std::vector<std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > *ptr = (std::vector<std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > *)0;
21263     res1 = swig::asptr(map, &ptr); if (!SWIG_IsOK(res1)) {
21264       SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "MapsTo" "', argument " "1"" of type '" "OpenBabel::OBIsomorphismMapper::Mapping const &""'"); }
21265      if (!ptr) {
21266       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "MapsTo" "', argument " "1"" of type '" "OpenBabel::OBIsomorphismMapper::Mapping const &""'"); }
21267      arg1 = ptr; }  ecode2 = SWIG_AsVal_int(queryIndex, &val2); if (!SWIG_IsOK(ecode2)) {
21268     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "MapsTo" "', argument " "2"" of type '" "unsigned int""'"); }
21269   arg2 = static_cast< unsigned int >(val2); res3 = SWIG_R_ConvertPtr(queriedIndex, &argp3, SWIGTYPE_p_unsigned_int,  0 );
21270   if (!SWIG_IsOK(res3)) {
21271     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "MapsTo" "', argument " "3"" of type '" "unsigned int &""'");  }
21272   if (!argp3) {
21273     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "MapsTo" "', argument " "3"" of type '" "unsigned int &""'"); }
21274    arg3 = reinterpret_cast< unsigned int * >(argp3);
21275   result = (bool)OpenBabel::MapsTo((std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > const &)*arg1,arg2,*arg3);
21276   r_ans = Rf_ScalarLogical(result); if (SWIG_IsNewObj(res1)) delete arg1; vmaxset(r_vmax);
21277   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
21278 SWIGEXPORT SEXP
R_swig_FindAutomorphisms__SWIG_0(SEXP mol,SEXP aut,SEXP symmetry_classes,SEXP mask,SEXP maxMemory,SEXP s_swig_copy)21279 R_swig_FindAutomorphisms__SWIG_0 ( SEXP mol, SEXP aut, SEXP symmetry_classes, SEXP mask, SEXP maxMemory, SEXP s_swig_copy) {
21280   bool result; OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
21281   std::vector< OpenBabel::OBIsomorphismMapper::Mapping,std::allocator< OpenBabel::OBIsomorphismMapper::Mapping > > *arg2 = 0 ;
21282   std::vector< unsigned int,std::allocator< unsigned int > > *arg3 = 0 ; OpenBabel::OBBitVec *arg4 = 0 ; std::size_t arg5 ;
21283   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; int res3 = SWIG_OLDOBJ ; void *argp4 ; int res4 = 0 ;
21284   int val5 ; int ecode5 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
21285   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
21286     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "FindAutomorphisms" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
21287    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
21288   res2 = SWIG_R_ConvertPtr(aut, &argp2, SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t,  0 );
21289   if (!SWIG_IsOK(res2)) {
21290     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "FindAutomorphisms" "', argument " "2"" of type '" "std::vector< OpenBabel::OBIsomorphismMapper::Mapping,std::allocator< OpenBabel::OBIsomorphismMapper::Mapping > > &""'");  }
21291    if (!argp2) {
21292     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "FindAutomorphisms" "', argument " "2"" of type '" "std::vector< OpenBabel::OBIsomorphismMapper::Mapping,std::allocator< OpenBabel::OBIsomorphismMapper::Mapping > > &""'"); }
21293 
21294   arg2 = reinterpret_cast< std::vector< OpenBabel::OBIsomorphismMapper::Mapping,std::allocator< OpenBabel::OBIsomorphismMapper::Mapping > > * >(argp2);
21295   {
21296     std::vector<unsigned int,std::allocator< unsigned int > > *ptr = (std::vector<unsigned int,std::allocator< unsigned int > > *)0;
21297     res3 = swig::asptr(symmetry_classes, &ptr); if (!SWIG_IsOK(res3)) {
21298       SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "FindAutomorphisms" "', argument " "3"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > const &""'"); }
21299      if (!ptr) {
21300       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "FindAutomorphisms" "', argument " "3"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > const &""'"); }
21301      arg3 = ptr; }  res4 = SWIG_R_ConvertPtr(mask, &argp4, SWIGTYPE_p_OpenBabel__OBBitVec,  0 ); if (!SWIG_IsOK(res4)) {
21302     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "FindAutomorphisms" "', argument " "4"" of type '" "OpenBabel::OBBitVec const &""'");  }
21303    if (!argp4) {
21304     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "FindAutomorphisms" "', argument " "4"" of type '" "OpenBabel::OBBitVec const &""'"); }
21305    arg4 = reinterpret_cast< OpenBabel::OBBitVec * >(argp4); ecode5 = SWIG_AsVal_int(maxMemory, &val5); if (!SWIG_IsOK(ecode5)) {
21306     SWIG_exception_fail(SWIG_ArgError(ecode5), "in method '" "FindAutomorphisms" "', argument " "5"" of type '" "std::size_t""'"); }
21307     arg5 = static_cast< std::size_t >(val5);
21308   result = (bool)OpenBabel::FindAutomorphisms(arg1,*arg2,(std::vector< unsigned int,std::allocator< unsigned int > > const &)*arg3,(OpenBabel::OBBitVec const &)*arg4,arg5);
21309   r_ans = Rf_ScalarLogical(result); if (SWIG_IsNewObj(res3)) delete arg3; vmaxset(r_vmax);
21310   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_FindAutomorphisms__SWIG_1(SEXP mol,SEXP aut,SEXP symmetry_classes,SEXP mask,SEXP s_swig_copy)21311 SWIGEXPORT SEXP R_swig_FindAutomorphisms__SWIG_1 ( SEXP mol, SEXP aut, SEXP symmetry_classes, SEXP mask, SEXP s_swig_copy) {
21312   bool result; OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
21313   std::vector< OpenBabel::OBIsomorphismMapper::Mapping,std::allocator< OpenBabel::OBIsomorphismMapper::Mapping > > *arg2 = 0 ;
21314   std::vector< unsigned int,std::allocator< unsigned int > > *arg3 = 0 ; OpenBabel::OBBitVec *arg4 = 0 ; void *argp1 = 0 ;
21315   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; int res3 = SWIG_OLDOBJ ; void *argp4 ; int res4 = 0 ;
21316   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
21317   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
21318     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "FindAutomorphisms" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
21319    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
21320   res2 = SWIG_R_ConvertPtr(aut, &argp2, SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t,  0 );
21321   if (!SWIG_IsOK(res2)) {
21322     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "FindAutomorphisms" "', argument " "2"" of type '" "std::vector< OpenBabel::OBIsomorphismMapper::Mapping,std::allocator< OpenBabel::OBIsomorphismMapper::Mapping > > &""'");  }
21323    if (!argp2) {
21324     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "FindAutomorphisms" "', argument " "2"" of type '" "std::vector< OpenBabel::OBIsomorphismMapper::Mapping,std::allocator< OpenBabel::OBIsomorphismMapper::Mapping > > &""'"); }
21325 
21326   arg2 = reinterpret_cast< std::vector< OpenBabel::OBIsomorphismMapper::Mapping,std::allocator< OpenBabel::OBIsomorphismMapper::Mapping > > * >(argp2);
21327   {
21328     std::vector<unsigned int,std::allocator< unsigned int > > *ptr = (std::vector<unsigned int,std::allocator< unsigned int > > *)0;
21329     res3 = swig::asptr(symmetry_classes, &ptr); if (!SWIG_IsOK(res3)) {
21330       SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "FindAutomorphisms" "', argument " "3"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > const &""'"); }
21331      if (!ptr) {
21332       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "FindAutomorphisms" "', argument " "3"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > const &""'"); }
21333      arg3 = ptr; }  res4 = SWIG_R_ConvertPtr(mask, &argp4, SWIGTYPE_p_OpenBabel__OBBitVec,  0 ); if (!SWIG_IsOK(res4)) {
21334     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "FindAutomorphisms" "', argument " "4"" of type '" "OpenBabel::OBBitVec const &""'");  }
21335    if (!argp4) {
21336     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "FindAutomorphisms" "', argument " "4"" of type '" "OpenBabel::OBBitVec const &""'"); }
21337    arg4 = reinterpret_cast< OpenBabel::OBBitVec * >(argp4);
21338   result = (bool)OpenBabel::FindAutomorphisms(arg1,*arg2,(std::vector< unsigned int,std::allocator< unsigned int > > const &)*arg3,(OpenBabel::OBBitVec const &)*arg4);
21339   r_ans = Rf_ScalarLogical(result); if (SWIG_IsNewObj(res3)) delete arg3; vmaxset(r_vmax);
21340   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_FindAutomorphisms__SWIG_2(SEXP mol,SEXP aut,SEXP symmetry_classes,SEXP s_swig_copy)21341 SWIGEXPORT SEXP R_swig_FindAutomorphisms__SWIG_2 ( SEXP mol, SEXP aut, SEXP symmetry_classes, SEXP s_swig_copy) { bool result;
21342   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
21343   std::vector< OpenBabel::OBIsomorphismMapper::Mapping,std::allocator< OpenBabel::OBIsomorphismMapper::Mapping > > *arg2 = 0 ;
21344   std::vector< unsigned int,std::allocator< unsigned int > > *arg3 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
21345   int res2 = 0 ; int res3 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
21346   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
21347     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "FindAutomorphisms" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
21348    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
21349   res2 = SWIG_R_ConvertPtr(aut, &argp2, SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t,  0 );
21350   if (!SWIG_IsOK(res2)) {
21351     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "FindAutomorphisms" "', argument " "2"" of type '" "std::vector< OpenBabel::OBIsomorphismMapper::Mapping,std::allocator< OpenBabel::OBIsomorphismMapper::Mapping > > &""'");  }
21352    if (!argp2) {
21353     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "FindAutomorphisms" "', argument " "2"" of type '" "std::vector< OpenBabel::OBIsomorphismMapper::Mapping,std::allocator< OpenBabel::OBIsomorphismMapper::Mapping > > &""'"); }
21354 
21355   arg2 = reinterpret_cast< std::vector< OpenBabel::OBIsomorphismMapper::Mapping,std::allocator< OpenBabel::OBIsomorphismMapper::Mapping > > * >(argp2);
21356   {
21357     std::vector<unsigned int,std::allocator< unsigned int > > *ptr = (std::vector<unsigned int,std::allocator< unsigned int > > *)0;
21358     res3 = swig::asptr(symmetry_classes, &ptr); if (!SWIG_IsOK(res3)) {
21359       SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "FindAutomorphisms" "', argument " "3"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > const &""'"); }
21360      if (!ptr) {
21361       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "FindAutomorphisms" "', argument " "3"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > const &""'"); }
21362      arg3 = ptr; }
21363   result = (bool)OpenBabel::FindAutomorphisms(arg1,*arg2,(std::vector< unsigned int,std::allocator< unsigned int > > const &)*arg3);
21364   r_ans = Rf_ScalarLogical(result); if (SWIG_IsNewObj(res3)) delete arg3; vmaxset(r_vmax);
21365   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_FindAutomorphisms__SWIG_3(SEXP mol,SEXP aut,SEXP mask,SEXP maxMemory,SEXP s_swig_copy)21366 SWIGEXPORT SEXP R_swig_FindAutomorphisms__SWIG_3 ( SEXP mol, SEXP aut, SEXP mask, SEXP maxMemory, SEXP s_swig_copy) {
21367   bool result; OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
21368   std::vector< OpenBabel::OBIsomorphismMapper::Mapping,std::allocator< OpenBabel::OBIsomorphismMapper::Mapping > > *arg2 = 0 ;
21369   OpenBabel::OBBitVec *arg3 = 0 ; std::size_t arg4 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
21370   void *argp3 ; int res3 = 0 ; int val4 ; int ecode4 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
21371   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
21372   if (!SWIG_IsOK(res1)) {
21373     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "FindAutomorphisms" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
21374    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
21375   res2 = SWIG_R_ConvertPtr(aut, &argp2, SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t,  0 );
21376   if (!SWIG_IsOK(res2)) {
21377     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "FindAutomorphisms" "', argument " "2"" of type '" "std::vector< OpenBabel::OBIsomorphismMapper::Mapping,std::allocator< OpenBabel::OBIsomorphismMapper::Mapping > > &""'");  }
21378    if (!argp2) {
21379     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "FindAutomorphisms" "', argument " "2"" of type '" "std::vector< OpenBabel::OBIsomorphismMapper::Mapping,std::allocator< OpenBabel::OBIsomorphismMapper::Mapping > > &""'"); }
21380 
21381   arg2 = reinterpret_cast< std::vector< OpenBabel::OBIsomorphismMapper::Mapping,std::allocator< OpenBabel::OBIsomorphismMapper::Mapping > > * >(argp2);
21382   res3 = SWIG_R_ConvertPtr(mask, &argp3, SWIGTYPE_p_OpenBabel__OBBitVec,  0 ); if (!SWIG_IsOK(res3)) {
21383     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "FindAutomorphisms" "', argument " "3"" of type '" "OpenBabel::OBBitVec const &""'");  }
21384    if (!argp3) {
21385     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "FindAutomorphisms" "', argument " "3"" of type '" "OpenBabel::OBBitVec const &""'"); }
21386    arg3 = reinterpret_cast< OpenBabel::OBBitVec * >(argp3); ecode4 = SWIG_AsVal_int(maxMemory, &val4); if (!SWIG_IsOK(ecode4)) {
21387     SWIG_exception_fail(SWIG_ArgError(ecode4), "in method '" "FindAutomorphisms" "', argument " "4"" of type '" "std::size_t""'"); }
21388     arg4 = static_cast< std::size_t >(val4);
21389   result = (bool)OpenBabel::FindAutomorphisms(arg1,*arg2,(OpenBabel::OBBitVec const &)*arg3,arg4);
21390   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_FindAutomorphisms__SWIG_4(SEXP mol,SEXP aut,SEXP mask,SEXP s_swig_copy)21391 SWIGEXPORT SEXP R_swig_FindAutomorphisms__SWIG_4 ( SEXP mol, SEXP aut, SEXP mask, SEXP s_swig_copy) { bool result;
21392   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
21393   std::vector< OpenBabel::OBIsomorphismMapper::Mapping,std::allocator< OpenBabel::OBIsomorphismMapper::Mapping > > *arg2 = 0 ;
21394   OpenBabel::OBBitVec *arg3 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 ; int res3 = 0 ;
21395   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
21396   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
21397     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "FindAutomorphisms" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
21398    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
21399   res2 = SWIG_R_ConvertPtr(aut, &argp2, SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t,  0 );
21400   if (!SWIG_IsOK(res2)) {
21401     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "FindAutomorphisms" "', argument " "2"" of type '" "std::vector< OpenBabel::OBIsomorphismMapper::Mapping,std::allocator< OpenBabel::OBIsomorphismMapper::Mapping > > &""'");  }
21402    if (!argp2) {
21403     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "FindAutomorphisms" "', argument " "2"" of type '" "std::vector< OpenBabel::OBIsomorphismMapper::Mapping,std::allocator< OpenBabel::OBIsomorphismMapper::Mapping > > &""'"); }
21404 
21405   arg2 = reinterpret_cast< std::vector< OpenBabel::OBIsomorphismMapper::Mapping,std::allocator< OpenBabel::OBIsomorphismMapper::Mapping > > * >(argp2);
21406   res3 = SWIG_R_ConvertPtr(mask, &argp3, SWIGTYPE_p_OpenBabel__OBBitVec,  0 ); if (!SWIG_IsOK(res3)) {
21407     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "FindAutomorphisms" "', argument " "3"" of type '" "OpenBabel::OBBitVec const &""'");  }
21408    if (!argp3) {
21409     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "FindAutomorphisms" "', argument " "3"" of type '" "OpenBabel::OBBitVec const &""'"); }
21410    arg3 = reinterpret_cast< OpenBabel::OBBitVec * >(argp3);
21411   result = (bool)OpenBabel::FindAutomorphisms(arg1,*arg2,(OpenBabel::OBBitVec const &)*arg3); r_ans = Rf_ScalarLogical(result);
21412   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_FindAutomorphisms__SWIG_5(SEXP mol,SEXP aut,SEXP s_swig_copy)21413 SWIGEXPORT SEXP R_swig_FindAutomorphisms__SWIG_5 ( SEXP mol, SEXP aut, SEXP s_swig_copy) { bool result;
21414   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
21415   std::vector< OpenBabel::OBIsomorphismMapper::Mapping,std::allocator< OpenBabel::OBIsomorphismMapper::Mapping > > *arg2 = 0 ;
21416   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
21417   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
21418   if (!SWIG_IsOK(res1)) {
21419     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "FindAutomorphisms" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
21420    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
21421   res2 = SWIG_R_ConvertPtr(aut, &argp2, SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t,  0 );
21422   if (!SWIG_IsOK(res2)) {
21423     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "FindAutomorphisms" "', argument " "2"" of type '" "std::vector< OpenBabel::OBIsomorphismMapper::Mapping,std::allocator< OpenBabel::OBIsomorphismMapper::Mapping > > &""'");  }
21424    if (!argp2) {
21425     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "FindAutomorphisms" "', argument " "2"" of type '" "std::vector< OpenBabel::OBIsomorphismMapper::Mapping,std::allocator< OpenBabel::OBIsomorphismMapper::Mapping > > &""'"); }
21426 
21427   arg2 = reinterpret_cast< std::vector< OpenBabel::OBIsomorphismMapper::Mapping,std::allocator< OpenBabel::OBIsomorphismMapper::Mapping > > * >(argp2);
21428   result = (bool)OpenBabel::FindAutomorphisms(arg1,*arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
21429   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_FindAutomorphisms__SWIG_6(SEXP functor,SEXP mol,SEXP symmetry_classes,SEXP mask)21430 SWIGEXPORT SEXP R_swig_FindAutomorphisms__SWIG_6 ( SEXP functor, SEXP mol, SEXP symmetry_classes, SEXP mask) {
21431   OpenBabel::OBIsomorphismMapper::Functor *arg1 = 0 ; OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ;
21432   std::vector< unsigned int,std::allocator< unsigned int > > *arg3 = 0 ; OpenBabel::OBBitVec *arg4 = 0 ; void *argp1 = 0 ;
21433   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; int res3 = SWIG_OLDOBJ ; void *argp4 ; int res4 = 0 ;
21434   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
21435   res1 = SWIG_R_ConvertPtr(functor, &argp1, SWIGTYPE_p_OpenBabel__OBIsomorphismMapper__Functor,  0 ); if (!SWIG_IsOK(res1)) {
21436     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "FindAutomorphisms" "', argument " "1"" of type '" "OpenBabel::OBIsomorphismMapper::Functor &""'");  }
21437    if (!argp1) {
21438     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "FindAutomorphisms" "', argument " "1"" of type '" "OpenBabel::OBIsomorphismMapper::Functor &""'"); }
21439    arg1 = reinterpret_cast< OpenBabel::OBIsomorphismMapper::Functor * >(argp1);
21440   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res2)) {
21441     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "FindAutomorphisms" "', argument " "2"" of type '" "OpenBabel::OBMol *""'");  }
21442    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); {
21443     std::vector<unsigned int,std::allocator< unsigned int > > *ptr = (std::vector<unsigned int,std::allocator< unsigned int > > *)0;
21444     res3 = swig::asptr(symmetry_classes, &ptr); if (!SWIG_IsOK(res3)) {
21445       SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "FindAutomorphisms" "', argument " "3"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > const &""'"); }
21446      if (!ptr) {
21447       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "FindAutomorphisms" "', argument " "3"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > const &""'"); }
21448      arg3 = ptr; }  res4 = SWIG_R_ConvertPtr(mask, &argp4, SWIGTYPE_p_OpenBabel__OBBitVec,  0 ); if (!SWIG_IsOK(res4)) {
21449     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "FindAutomorphisms" "', argument " "4"" of type '" "OpenBabel::OBBitVec const &""'");  }
21450    if (!argp4) {
21451     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "FindAutomorphisms" "', argument " "4"" of type '" "OpenBabel::OBBitVec const &""'"); }
21452    arg4 = reinterpret_cast< OpenBabel::OBBitVec * >(argp4);
21453   OpenBabel::FindAutomorphisms(*arg1,arg2,(std::vector< unsigned int,std::allocator< unsigned int > > const &)*arg3,(OpenBabel::OBBitVec const &)*arg4);
21454   r_ans = R_NilValue; if (SWIG_IsNewObj(res3)) delete arg3; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
21455   return r_ans; }
R_swig_FindAutomorphisms__SWIG_7(SEXP functor,SEXP mol,SEXP symmetry_classes)21456 SWIGEXPORT SEXP R_swig_FindAutomorphisms__SWIG_7 ( SEXP functor, SEXP mol, SEXP symmetry_classes) {
21457   OpenBabel::OBIsomorphismMapper::Functor *arg1 = 0 ; OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ;
21458   std::vector< unsigned int,std::allocator< unsigned int > > *arg3 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
21459   int res2 = 0 ; int res3 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
21460   res1 = SWIG_R_ConvertPtr(functor, &argp1, SWIGTYPE_p_OpenBabel__OBIsomorphismMapper__Functor,  0 ); if (!SWIG_IsOK(res1)) {
21461     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "FindAutomorphisms" "', argument " "1"" of type '" "OpenBabel::OBIsomorphismMapper::Functor &""'");  }
21462    if (!argp1) {
21463     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "FindAutomorphisms" "', argument " "1"" of type '" "OpenBabel::OBIsomorphismMapper::Functor &""'"); }
21464    arg1 = reinterpret_cast< OpenBabel::OBIsomorphismMapper::Functor * >(argp1);
21465   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res2)) {
21466     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "FindAutomorphisms" "', argument " "2"" of type '" "OpenBabel::OBMol *""'");  }
21467    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); {
21468     std::vector<unsigned int,std::allocator< unsigned int > > *ptr = (std::vector<unsigned int,std::allocator< unsigned int > > *)0;
21469     res3 = swig::asptr(symmetry_classes, &ptr); if (!SWIG_IsOK(res3)) {
21470       SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "FindAutomorphisms" "', argument " "3"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > const &""'"); }
21471      if (!ptr) {
21472       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "FindAutomorphisms" "', argument " "3"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > const &""'"); }
21473      arg3 = ptr; }
21474   OpenBabel::FindAutomorphisms(*arg1,arg2,(std::vector< unsigned int,std::allocator< unsigned int > > const &)*arg3);
21475   r_ans = R_NilValue; if (SWIG_IsNewObj(res3)) delete arg3; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
21476   return r_ans; }
R_swig_new_OBQueryAtom__SWIG_0(SEXP atomicNum,SEXP isInRing,SEXP isAromatic)21477 SWIGEXPORT SEXP R_swig_new_OBQueryAtom__SWIG_0 ( SEXP atomicNum, SEXP isInRing, SEXP isAromatic) {
21478   OpenBabel::OBQueryAtom *result = 0 ; int arg1 ; bool arg2 ; bool arg3 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
21479   VMAXTYPE r_vmax = vmaxget() ; arg1 = static_cast< int >(INTEGER(atomicNum)[0]); arg2 = LOGICAL(isInRing)[0] ? true : false;
21480   arg3 = LOGICAL(isAromatic)[0] ? true : false; result = (OpenBabel::OBQueryAtom *)new OpenBabel::OBQueryAtom(arg1,arg2,arg3);
21481   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBQueryAtom, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
21482   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBQueryAtom__SWIG_1(SEXP atomicNum,SEXP isInRing)21483 SWIGEXPORT SEXP R_swig_new_OBQueryAtom__SWIG_1 ( SEXP atomicNum, SEXP isInRing) { OpenBabel::OBQueryAtom *result = 0 ;
21484   int arg1 ; bool arg2 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
21485   arg1 = static_cast< int >(INTEGER(atomicNum)[0]); arg2 = LOGICAL(isInRing)[0] ? true : false;
21486   result = (OpenBabel::OBQueryAtom *)new OpenBabel::OBQueryAtom(arg1,arg2);
21487   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBQueryAtom, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
21488   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBQueryAtom__SWIG_2(SEXP atomicNum)21489 SWIGEXPORT SEXP R_swig_new_OBQueryAtom__SWIG_2 ( SEXP atomicNum) { OpenBabel::OBQueryAtom *result = 0 ; int arg1 ;
21490   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
21491   arg1 = static_cast< int >(INTEGER(atomicNum)[0]); result = (OpenBabel::OBQueryAtom *)new OpenBabel::OBQueryAtom(arg1);
21492   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBQueryAtom, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
21493   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBQueryAtom__SWIG_3()21494 SWIGEXPORT SEXP R_swig_new_OBQueryAtom__SWIG_3 ( ) { OpenBabel::OBQueryAtom *result = 0 ; unsigned int r_nprotect = 0;
21495   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBQueryAtom *)new OpenBabel::OBQueryAtom();
21496   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBQueryAtom, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
21497   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBQueryAtom(SEXP self)21498 SWIGEXPORT SEXP R_swig_delete_OBQueryAtom ( SEXP self) { OpenBabel::OBQueryAtom *arg1 = (OpenBabel::OBQueryAtom *) 0 ;
21499   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
21500   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBQueryAtom, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
21501     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBQueryAtom" "', argument " "1"" of type '" "OpenBabel::OBQueryAtom *""'");  }
21502    arg1 = reinterpret_cast< OpenBabel::OBQueryAtom * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
21503   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBQueryAtom_GetIndex(SEXP self,SEXP s_swig_copy)21504 SWIGEXPORT SEXP R_swig_OBQueryAtom_GetIndex ( SEXP self, SEXP s_swig_copy) { unsigned int result;
21505   OpenBabel::OBQueryAtom *arg1 = (OpenBabel::OBQueryAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
21506   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
21507   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBQueryAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
21508     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBQueryAtom_GetIndex" "', argument " "1"" of type '" "OpenBabel::OBQueryAtom const *""'");  }
21509    arg1 = reinterpret_cast< OpenBabel::OBQueryAtom * >(argp1);
21510   result = (unsigned int)((OpenBabel::OBQueryAtom const *)arg1)->GetIndex(); r_ans = SWIG_From_int(static_cast< int >(result));
21511   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBQueryAtom_GetBonds(SEXP self,SEXP s_swig_copy)21512 SWIGEXPORT SEXP R_swig_OBQueryAtom_GetBonds ( SEXP self, SEXP s_swig_copy) {
21513   std::vector< OpenBabel::OBQueryBond *,std::allocator< OpenBabel::OBQueryBond * > > *result = 0 ;
21514   OpenBabel::OBQueryAtom *arg1 = (OpenBabel::OBQueryAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
21515   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
21516   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBQueryAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
21517     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBQueryAtom_GetBonds" "', argument " "1"" of type '" "OpenBabel::OBQueryAtom const *""'");  }
21518    arg1 = reinterpret_cast< OpenBabel::OBQueryAtom * >(argp1);
21519   result = (std::vector< OpenBabel::OBQueryBond *,std::allocator< OpenBabel::OBQueryBond * > > *) &((OpenBabel::OBQueryAtom const *)arg1)->GetBonds();
21520   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBQueryBond_p_std__allocatorT_OpenBabel__OBQueryBond_p_t_t, R_SWIG_EXTERNAL |  0 );
21521   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBQueryAtom_GetNbrs(SEXP self,SEXP s_swig_copy)21522 SWIGEXPORT SEXP R_swig_OBQueryAtom_GetNbrs ( SEXP self, SEXP s_swig_copy) {
21523   std::vector< OpenBabel::OBQueryAtom *,std::allocator< OpenBabel::OBQueryAtom * > > *result = 0 ;
21524   OpenBabel::OBQueryAtom *arg1 = (OpenBabel::OBQueryAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
21525   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
21526   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBQueryAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
21527     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBQueryAtom_GetNbrs" "', argument " "1"" of type '" "OpenBabel::OBQueryAtom const *""'");  }
21528    arg1 = reinterpret_cast< OpenBabel::OBQueryAtom * >(argp1);
21529   result = (std::vector< OpenBabel::OBQueryAtom *,std::allocator< OpenBabel::OBQueryAtom * > > *) &((OpenBabel::OBQueryAtom const *)arg1)->GetNbrs();
21530   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBQueryAtom_p_std__allocatorT_OpenBabel__OBQueryAtom_p_t_t, R_SWIG_EXTERNAL |  0 );
21531   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBQueryAtom_Matches(SEXP self,SEXP atom,SEXP s_swig_copy)21532 SWIGEXPORT SEXP R_swig_OBQueryAtom_Matches ( SEXP self, SEXP atom, SEXP s_swig_copy) { bool result;
21533   OpenBabel::OBQueryAtom *arg1 = (OpenBabel::OBQueryAtom *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
21534   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
21535   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBQueryAtom, 0 |  0 );
21536   if (!SWIG_IsOK(res1)) {
21537     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBQueryAtom_Matches" "', argument " "1"" of type '" "OpenBabel::OBQueryAtom const *""'");  }
21538    arg1 = reinterpret_cast< OpenBabel::OBQueryAtom * >(argp1);
21539   res2 = SWIG_R_ConvertPtr(atom, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
21540     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBQueryAtom_Matches" "', argument " "2"" of type '" "OpenBabel::OBAtom const *""'");  }
21541    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2);
21542   result = (bool)((OpenBabel::OBQueryAtom const *)arg1)->Matches((OpenBabel::OBAtom const *)arg2);
21543   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBQueryBond__SWIG_0(SEXP begin,SEXP end,SEXP order,SEXP aromatic)21544 SWIGEXPORT SEXP R_swig_new_OBQueryBond__SWIG_0 ( SEXP begin, SEXP end, SEXP order, SEXP aromatic) {
21545   OpenBabel::OBQueryBond *result = 0 ; OpenBabel::OBQueryAtom *arg1 = (OpenBabel::OBQueryAtom *) 0 ;
21546   OpenBabel::OBQueryAtom *arg2 = (OpenBabel::OBQueryAtom *) 0 ; int arg3 ; bool arg4 ; void *argp1 = 0 ; int res1 = 0 ;
21547   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
21548   res1 = SWIG_R_ConvertPtr(begin, &argp1, SWIGTYPE_p_OpenBabel__OBQueryAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
21549     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBQueryBond" "', argument " "1"" of type '" "OpenBabel::OBQueryAtom *""'");  }
21550    arg1 = reinterpret_cast< OpenBabel::OBQueryAtom * >(argp1);
21551   res2 = SWIG_R_ConvertPtr(end, &argp2, SWIGTYPE_p_OpenBabel__OBQueryAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
21552     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_OBQueryBond" "', argument " "2"" of type '" "OpenBabel::OBQueryAtom *""'");  }
21553    arg2 = reinterpret_cast< OpenBabel::OBQueryAtom * >(argp2); arg3 = static_cast< int >(INTEGER(order)[0]);
21554   arg4 = LOGICAL(aromatic)[0] ? true : false;
21555   result = (OpenBabel::OBQueryBond *)new OpenBabel::OBQueryBond(arg1,arg2,arg3,arg4);
21556   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBQueryBond, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
21557   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBQueryBond__SWIG_1(SEXP begin,SEXP end,SEXP order)21558 SWIGEXPORT SEXP R_swig_new_OBQueryBond__SWIG_1 ( SEXP begin, SEXP end, SEXP order) { OpenBabel::OBQueryBond *result = 0 ;
21559   OpenBabel::OBQueryAtom *arg1 = (OpenBabel::OBQueryAtom *) 0 ; OpenBabel::OBQueryAtom *arg2 = (OpenBabel::OBQueryAtom *) 0 ;
21560   int arg3 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0;
21561   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
21562   res1 = SWIG_R_ConvertPtr(begin, &argp1, SWIGTYPE_p_OpenBabel__OBQueryAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
21563     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBQueryBond" "', argument " "1"" of type '" "OpenBabel::OBQueryAtom *""'");  }
21564    arg1 = reinterpret_cast< OpenBabel::OBQueryAtom * >(argp1);
21565   res2 = SWIG_R_ConvertPtr(end, &argp2, SWIGTYPE_p_OpenBabel__OBQueryAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
21566     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_OBQueryBond" "', argument " "2"" of type '" "OpenBabel::OBQueryAtom *""'");  }
21567    arg2 = reinterpret_cast< OpenBabel::OBQueryAtom * >(argp2); arg3 = static_cast< int >(INTEGER(order)[0]);
21568   result = (OpenBabel::OBQueryBond *)new OpenBabel::OBQueryBond(arg1,arg2,arg3);
21569   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBQueryBond, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
21570   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBQueryBond__SWIG_2(SEXP begin,SEXP end)21571 SWIGEXPORT SEXP R_swig_new_OBQueryBond__SWIG_2 ( SEXP begin, SEXP end) { OpenBabel::OBQueryBond *result = 0 ;
21572   OpenBabel::OBQueryAtom *arg1 = (OpenBabel::OBQueryAtom *) 0 ; OpenBabel::OBQueryAtom *arg2 = (OpenBabel::OBQueryAtom *) 0 ;
21573   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
21574   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(begin, &argp1, SWIGTYPE_p_OpenBabel__OBQueryAtom, 0 |  0 );
21575   if (!SWIG_IsOK(res1)) {
21576     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBQueryBond" "', argument " "1"" of type '" "OpenBabel::OBQueryAtom *""'");  }
21577    arg1 = reinterpret_cast< OpenBabel::OBQueryAtom * >(argp1);
21578   res2 = SWIG_R_ConvertPtr(end, &argp2, SWIGTYPE_p_OpenBabel__OBQueryAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
21579     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_OBQueryBond" "', argument " "2"" of type '" "OpenBabel::OBQueryAtom *""'");  }
21580    arg2 = reinterpret_cast< OpenBabel::OBQueryAtom * >(argp2);
21581   result = (OpenBabel::OBQueryBond *)new OpenBabel::OBQueryBond(arg1,arg2);
21582   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBQueryBond, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
21583   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBQueryBond(SEXP self)21584 SWIGEXPORT SEXP R_swig_delete_OBQueryBond ( SEXP self) { OpenBabel::OBQueryBond *arg1 = (OpenBabel::OBQueryBond *) 0 ;
21585   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
21586   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBQueryBond, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
21587     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBQueryBond" "', argument " "1"" of type '" "OpenBabel::OBQueryBond *""'");  }
21588    arg1 = reinterpret_cast< OpenBabel::OBQueryBond * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
21589   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBQueryBond_GetIndex(SEXP self,SEXP s_swig_copy)21590 SWIGEXPORT SEXP R_swig_OBQueryBond_GetIndex ( SEXP self, SEXP s_swig_copy) { unsigned int result;
21591   OpenBabel::OBQueryBond *arg1 = (OpenBabel::OBQueryBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
21592   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
21593   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBQueryBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
21594     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBQueryBond_GetIndex" "', argument " "1"" of type '" "OpenBabel::OBQueryBond const *""'");  }
21595    arg1 = reinterpret_cast< OpenBabel::OBQueryBond * >(argp1);
21596   result = (unsigned int)((OpenBabel::OBQueryBond const *)arg1)->GetIndex(); r_ans = SWIG_From_int(static_cast< int >(result));
21597   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBQueryBond_GetBeginAtom(SEXP self)21598 SWIGEXPORT SEXP R_swig_OBQueryBond_GetBeginAtom ( SEXP self) { OpenBabel::OBQueryAtom *result = 0 ;
21599   OpenBabel::OBQueryBond *arg1 = (OpenBabel::OBQueryBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
21600   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
21601   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBQueryBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
21602     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBQueryBond_GetBeginAtom" "', argument " "1"" of type '" "OpenBabel::OBQueryBond const *""'");  }
21603    arg1 = reinterpret_cast< OpenBabel::OBQueryBond * >(argp1);
21604   result = (OpenBabel::OBQueryAtom *)((OpenBabel::OBQueryBond const *)arg1)->GetBeginAtom();
21605   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBQueryAtom, R_SWIG_EXTERNAL |  0 );
21606   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBQueryBond_GetEndAtom(SEXP self)21607 SWIGEXPORT SEXP R_swig_OBQueryBond_GetEndAtom ( SEXP self) { OpenBabel::OBQueryAtom *result = 0 ;
21608   OpenBabel::OBQueryBond *arg1 = (OpenBabel::OBQueryBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
21609   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
21610   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBQueryBond, 0 |  0 ); if (!SWIG_IsOK(res1)) {
21611     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBQueryBond_GetEndAtom" "', argument " "1"" of type '" "OpenBabel::OBQueryBond const *""'");  }
21612    arg1 = reinterpret_cast< OpenBabel::OBQueryBond * >(argp1);
21613   result = (OpenBabel::OBQueryAtom *)((OpenBabel::OBQueryBond const *)arg1)->GetEndAtom();
21614   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBQueryAtom, R_SWIG_EXTERNAL |  0 );
21615   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBQueryBond_Matches(SEXP self,SEXP bond,SEXP s_swig_copy)21616 SWIGEXPORT SEXP R_swig_OBQueryBond_Matches ( SEXP self, SEXP bond, SEXP s_swig_copy) { bool result;
21617   OpenBabel::OBQueryBond *arg1 = (OpenBabel::OBQueryBond *) 0 ; OpenBabel::OBBond *arg2 = (OpenBabel::OBBond *) 0 ;
21618   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
21619   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBQueryBond, 0 |  0 );
21620   if (!SWIG_IsOK(res1)) {
21621     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBQueryBond_Matches" "', argument " "1"" of type '" "OpenBabel::OBQueryBond const *""'");  }
21622    arg1 = reinterpret_cast< OpenBabel::OBQueryBond * >(argp1);
21623   res2 = SWIG_R_ConvertPtr(bond, &argp2, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res2)) {
21624     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBQueryBond_Matches" "', argument " "2"" of type '" "OpenBabel::OBBond const *""'");  }
21625    arg2 = reinterpret_cast< OpenBabel::OBBond * >(argp2);
21626   result = (bool)((OpenBabel::OBQueryBond const *)arg1)->Matches((OpenBabel::OBBond const *)arg2);
21627   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBQuery(SEXP self)21628 SWIGEXPORT SEXP R_swig_delete_OBQuery ( SEXP self) { OpenBabel::OBQuery *arg1 = (OpenBabel::OBQuery *) 0 ; void *argp1 = 0 ;
21629   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
21630   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBQuery, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
21631     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBQuery" "', argument " "1"" of type '" "OpenBabel::OBQuery *""'");  }
21632    arg1 = reinterpret_cast< OpenBabel::OBQuery * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
21633   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBQuery_NumAtoms(SEXP self,SEXP s_swig_copy)21634 SWIGEXPORT SEXP R_swig_OBQuery_NumAtoms ( SEXP self, SEXP s_swig_copy) { unsigned int result;
21635   OpenBabel::OBQuery *arg1 = (OpenBabel::OBQuery *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
21636   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
21637   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBQuery, 0 |  0 ); if (!SWIG_IsOK(res1)) {
21638     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBQuery_NumAtoms" "', argument " "1"" of type '" "OpenBabel::OBQuery const *""'");  }
21639    arg1 = reinterpret_cast< OpenBabel::OBQuery * >(argp1);
21640   result = (unsigned int)((OpenBabel::OBQuery const *)arg1)->NumAtoms(); r_ans = SWIG_From_int(static_cast< int >(result));
21641   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBQuery_NumBonds(SEXP self,SEXP s_swig_copy)21642 SWIGEXPORT SEXP R_swig_OBQuery_NumBonds ( SEXP self, SEXP s_swig_copy) { unsigned int result;
21643   OpenBabel::OBQuery *arg1 = (OpenBabel::OBQuery *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
21644   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
21645   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBQuery, 0 |  0 ); if (!SWIG_IsOK(res1)) {
21646     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBQuery_NumBonds" "', argument " "1"" of type '" "OpenBabel::OBQuery const *""'");  }
21647    arg1 = reinterpret_cast< OpenBabel::OBQuery * >(argp1);
21648   result = (unsigned int)((OpenBabel::OBQuery const *)arg1)->NumBonds(); r_ans = SWIG_From_int(static_cast< int >(result));
21649   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBQuery_GetAtoms(SEXP self,SEXP s_swig_copy)21650 SWIGEXPORT SEXP R_swig_OBQuery_GetAtoms ( SEXP self, SEXP s_swig_copy) {
21651   std::vector< OpenBabel::OBQueryAtom *,std::allocator< OpenBabel::OBQueryAtom * > > *result = 0 ;
21652   OpenBabel::OBQuery *arg1 = (OpenBabel::OBQuery *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
21653   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
21654   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBQuery, 0 |  0 ); if (!SWIG_IsOK(res1)) {
21655     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBQuery_GetAtoms" "', argument " "1"" of type '" "OpenBabel::OBQuery const *""'");  }
21656    arg1 = reinterpret_cast< OpenBabel::OBQuery * >(argp1);
21657   result = (std::vector< OpenBabel::OBQueryAtom *,std::allocator< OpenBabel::OBQueryAtom * > > *) &((OpenBabel::OBQuery const *)arg1)->GetAtoms();
21658   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBQueryAtom_p_std__allocatorT_OpenBabel__OBQueryAtom_p_t_t, R_SWIG_EXTERNAL |  0 );
21659   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBQuery_GetBonds(SEXP self,SEXP s_swig_copy)21660 SWIGEXPORT SEXP R_swig_OBQuery_GetBonds ( SEXP self, SEXP s_swig_copy) {
21661   std::vector< OpenBabel::OBQueryBond *,std::allocator< OpenBabel::OBQueryBond * > > *result = 0 ;
21662   OpenBabel::OBQuery *arg1 = (OpenBabel::OBQuery *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
21663   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
21664   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBQuery, 0 |  0 ); if (!SWIG_IsOK(res1)) {
21665     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBQuery_GetBonds" "', argument " "1"" of type '" "OpenBabel::OBQuery const *""'");  }
21666    arg1 = reinterpret_cast< OpenBabel::OBQuery * >(argp1);
21667   result = (std::vector< OpenBabel::OBQueryBond *,std::allocator< OpenBabel::OBQueryBond * > > *) &((OpenBabel::OBQuery const *)arg1)->GetBonds();
21668   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBQueryBond_p_std__allocatorT_OpenBabel__OBQueryBond_p_t_t, R_SWIG_EXTERNAL |  0 );
21669   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBQuery_GetBond(SEXP self,SEXP begin,SEXP end)21670 SWIGEXPORT SEXP R_swig_OBQuery_GetBond ( SEXP self, SEXP begin, SEXP end) { OpenBabel::OBQueryBond *result = 0 ;
21671   OpenBabel::OBQuery *arg1 = (OpenBabel::OBQuery *) 0 ; OpenBabel::OBQueryAtom *arg2 = (OpenBabel::OBQueryAtom *) 0 ;
21672   OpenBabel::OBQueryAtom *arg3 = (OpenBabel::OBQueryAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
21673   int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
21674   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBQuery, 0 |  0 );
21675   if (!SWIG_IsOK(res1)) {
21676     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBQuery_GetBond" "', argument " "1"" of type '" "OpenBabel::OBQuery const *""'");  }
21677    arg1 = reinterpret_cast< OpenBabel::OBQuery * >(argp1);
21678   res2 = SWIG_R_ConvertPtr(begin, &argp2, SWIGTYPE_p_OpenBabel__OBQueryAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
21679     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBQuery_GetBond" "', argument " "2"" of type '" "OpenBabel::OBQueryAtom *""'");  }
21680    arg2 = reinterpret_cast< OpenBabel::OBQueryAtom * >(argp2);
21681   res3 = SWIG_R_ConvertPtr(end, &argp3, SWIGTYPE_p_OpenBabel__OBQueryAtom, 0 |  0 ); if (!SWIG_IsOK(res3)) {
21682     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBQuery_GetBond" "', argument " "3"" of type '" "OpenBabel::OBQueryAtom *""'");  }
21683    arg3 = reinterpret_cast< OpenBabel::OBQueryAtom * >(argp3);
21684   result = (OpenBabel::OBQueryBond *)((OpenBabel::OBQuery const *)arg1)->GetBond(arg2,arg3);
21685   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBQueryBond, R_SWIG_EXTERNAL |  0 );
21686   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBQuery_AddAtom(SEXP self,SEXP atom)21687 SWIGEXPORT SEXP R_swig_OBQuery_AddAtom ( SEXP self, SEXP atom) { OpenBabel::OBQuery *arg1 = (OpenBabel::OBQuery *) 0 ;
21688   OpenBabel::OBQueryAtom *arg2 = (OpenBabel::OBQueryAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
21689   int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
21690   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBQuery, 0 |  0 ); if (!SWIG_IsOK(res1)) {
21691     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBQuery_AddAtom" "', argument " "1"" of type '" "OpenBabel::OBQuery *""'");  }
21692    arg1 = reinterpret_cast< OpenBabel::OBQuery * >(argp1);
21693   res2 = SWIG_R_ConvertPtr(atom, &argp2, SWIGTYPE_p_OpenBabel__OBQueryAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
21694     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBQuery_AddAtom" "', argument " "2"" of type '" "OpenBabel::OBQueryAtom *""'");  }
21695    arg2 = reinterpret_cast< OpenBabel::OBQueryAtom * >(argp2); (arg1)->AddAtom(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
21696   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBQuery_AddBond(SEXP self,SEXP bond)21697 SWIGEXPORT SEXP R_swig_OBQuery_AddBond ( SEXP self, SEXP bond) { OpenBabel::OBQuery *arg1 = (OpenBabel::OBQuery *) 0 ;
21698   OpenBabel::OBQueryBond *arg2 = (OpenBabel::OBQueryBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
21699   int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
21700   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBQuery, 0 |  0 ); if (!SWIG_IsOK(res1)) {
21701     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBQuery_AddBond" "', argument " "1"" of type '" "OpenBabel::OBQuery *""'");  }
21702    arg1 = reinterpret_cast< OpenBabel::OBQuery * >(argp1);
21703   res2 = SWIG_R_ConvertPtr(bond, &argp2, SWIGTYPE_p_OpenBabel__OBQueryBond, 0 |  0 ); if (!SWIG_IsOK(res2)) {
21704     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBQuery_AddBond" "', argument " "2"" of type '" "OpenBabel::OBQueryBond *""'");  }
21705    arg2 = reinterpret_cast< OpenBabel::OBQueryBond * >(argp2); (arg1)->AddBond(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
21706   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBQuery()21707 SWIGEXPORT SEXP R_swig_new_OBQuery ( ) { OpenBabel::OBQuery *result = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
21708   VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBQuery *)new OpenBabel::OBQuery();
21709   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBQuery, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
21710   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_CompileMoleculeQuery__SWIG_0(SEXP mol,SEXP mask)21711 SWIGEXPORT SEXP R_swig_CompileMoleculeQuery__SWIG_0 ( SEXP mol, SEXP mask) { OpenBabel::OBQuery *result = 0 ;
21712   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; OpenBabel::OBBitVec *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
21713   void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
21714   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
21715     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "CompileMoleculeQuery" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
21716    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
21717   res2 = SWIG_R_ConvertPtr(mask, &argp2, SWIGTYPE_p_OpenBabel__OBBitVec,  0 ); if (!SWIG_IsOK(res2)) {
21718     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "CompileMoleculeQuery" "', argument " "2"" of type '" "OpenBabel::OBBitVec const &""'");  }
21719    if (!argp2) {
21720     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "CompileMoleculeQuery" "', argument " "2"" of type '" "OpenBabel::OBBitVec const &""'"); }
21721    arg2 = reinterpret_cast< OpenBabel::OBBitVec * >(argp2);
21722   result = (OpenBabel::OBQuery *)OpenBabel::CompileMoleculeQuery(arg1,(OpenBabel::OBBitVec const &)*arg2);
21723   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBQuery, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
21724   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_CompileMoleculeQuery__SWIG_1(SEXP mol)21725 SWIGEXPORT SEXP R_swig_CompileMoleculeQuery__SWIG_1 ( SEXP mol) { OpenBabel::OBQuery *result = 0 ;
21726   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
21727   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
21728   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
21729     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "CompileMoleculeQuery" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
21730    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = (OpenBabel::OBQuery *)OpenBabel::CompileMoleculeQuery(arg1);
21731   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBQuery, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
21732   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_CompileSmilesQuery__SWIG_0(SEXP smiles,SEXP mask)21733 SWIGEXPORT SEXP R_swig_CompileSmilesQuery__SWIG_0 ( SEXP smiles, SEXP mask) { OpenBabel::OBQuery *result = 0 ;
21734   std::string *arg1 = 0 ; OpenBabel::OBBitVec *arg2 = 0 ; int res1 = SWIG_OLDOBJ ; void *argp2 ; int res2 = 0 ;
21735   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; { std::string *ptr = (std::string *)0;
21736     res1 = SWIG_AsPtr_std_string(smiles, &ptr); if (!SWIG_IsOK(res1)) {
21737       SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "CompileSmilesQuery" "', argument " "1"" of type '" "std::string const &""'"); }
21738      if (!ptr) {
21739       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "CompileSmilesQuery" "', argument " "1"" of type '" "std::string const &""'"); }
21740      arg1 = ptr; }  res2 = SWIG_R_ConvertPtr(mask, &argp2, SWIGTYPE_p_OpenBabel__OBBitVec,  0 ); if (!SWIG_IsOK(res2)) {
21741     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "CompileSmilesQuery" "', argument " "2"" of type '" "OpenBabel::OBBitVec const &""'");  }
21742    if (!argp2) {
21743     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "CompileSmilesQuery" "', argument " "2"" of type '" "OpenBabel::OBBitVec const &""'"); }
21744    arg2 = reinterpret_cast< OpenBabel::OBBitVec * >(argp2);
21745   result = (OpenBabel::OBQuery *)OpenBabel::CompileSmilesQuery((std::string const &)*arg1,(OpenBabel::OBBitVec const &)*arg2);
21746   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBQuery, R_SWIG_EXTERNAL |  0 );
21747   if (SWIG_IsNewObj(res1)) delete arg1; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_CompileSmilesQuery__SWIG_1(SEXP smiles)21748 SWIGEXPORT SEXP R_swig_CompileSmilesQuery__SWIG_1 ( SEXP smiles) { OpenBabel::OBQuery *result = 0 ; std::string *arg1 = 0 ;
21749   int res1 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; {
21750     std::string *ptr = (std::string *)0; res1 = SWIG_AsPtr_std_string(smiles, &ptr); if (!SWIG_IsOK(res1)) {
21751       SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "CompileSmilesQuery" "', argument " "1"" of type '" "std::string const &""'"); }
21752      if (!ptr) {
21753       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "CompileSmilesQuery" "', argument " "1"" of type '" "std::string const &""'"); }
21754      arg1 = ptr; }  result = (OpenBabel::OBQuery *)OpenBabel::CompileSmilesQuery((std::string const &)*arg1);
21755   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBQuery, R_SWIG_EXTERNAL |  0 );
21756   if (SWIG_IsNewObj(res1)) delete arg1; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
21757 SWIGEXPORT SEXP
R_swig_CanonicalLabels__SWIG_0(SEXP mol,SEXP symmetry_classes,SEXP canonical_labels,SEXP mask,SEXP maxSeconds,SEXP onlyOne)21758 R_swig_CanonicalLabels__SWIG_0 ( SEXP mol, SEXP symmetry_classes, SEXP canonical_labels, SEXP mask, SEXP maxSeconds, SEXP onlyOne)
21759 { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; std::vector< unsigned int,std::allocator< unsigned int > > *arg2 = 0 ;
21760   std::vector< unsigned int,std::allocator< unsigned int > > *arg3 = 0 ; OpenBabel::OBBitVec *arg4 = 0 ; int arg5 ; bool arg6 ;
21761   void *argp1 = 0 ; int res1 = 0 ; int res2 = SWIG_OLDOBJ ; void *argp3 = 0 ; int res3 = 0 ; void *argp4 ; int res4 = 0 ;
21762   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
21763   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
21764     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "CanonicalLabels" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
21765    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); {
21766     std::vector<unsigned int,std::allocator< unsigned int > > *ptr = (std::vector<unsigned int,std::allocator< unsigned int > > *)0;
21767     res2 = swig::asptr(symmetry_classes, &ptr); if (!SWIG_IsOK(res2)) {
21768       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "CanonicalLabels" "', argument " "2"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > const &""'"); }
21769      if (!ptr) {
21770       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "CanonicalLabels" "', argument " "2"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > const &""'"); }
21771      arg2 = ptr; }
21772   res3 = SWIG_R_ConvertPtr(canonical_labels, &argp3, SWIGTYPE_p_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t,  0 );
21773   if (!SWIG_IsOK(res3)) {
21774     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "CanonicalLabels" "', argument " "3"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > &""'");  }
21775    if (!argp3) {
21776     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "CanonicalLabels" "', argument " "3"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > &""'"); }
21777    arg3 = reinterpret_cast< std::vector< unsigned int,std::allocator< unsigned int > > * >(argp3);
21778   res4 = SWIG_R_ConvertPtr(mask, &argp4, SWIGTYPE_p_OpenBabel__OBBitVec,  0 ); if (!SWIG_IsOK(res4)) {
21779     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "CanonicalLabels" "', argument " "4"" of type '" "OpenBabel::OBBitVec const &""'");  }
21780    if (!argp4) {
21781     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "CanonicalLabels" "', argument " "4"" of type '" "OpenBabel::OBBitVec const &""'"); }
21782    arg4 = reinterpret_cast< OpenBabel::OBBitVec * >(argp4); arg5 = static_cast< int >(INTEGER(maxSeconds)[0]);
21783   arg6 = LOGICAL(onlyOne)[0] ? true : false;
21784   OpenBabel::CanonicalLabels(arg1,(std::vector< unsigned int,std::allocator< unsigned int > > const &)*arg2,*arg3,(OpenBabel::OBBitVec const &)*arg4,arg5,arg6);
21785   r_ans = R_NilValue; if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
21786   return r_ans; }
21787 SWIGEXPORT SEXP
R_swig_CanonicalLabels__SWIG_1(SEXP mol,SEXP symmetry_classes,SEXP canonical_labels,SEXP mask,SEXP maxSeconds)21788 R_swig_CanonicalLabels__SWIG_1 ( SEXP mol, SEXP symmetry_classes, SEXP canonical_labels, SEXP mask, SEXP maxSeconds) {
21789   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; std::vector< unsigned int,std::allocator< unsigned int > > *arg2 = 0 ;
21790   std::vector< unsigned int,std::allocator< unsigned int > > *arg3 = 0 ; OpenBabel::OBBitVec *arg4 = 0 ; int arg5 ;
21791   void *argp1 = 0 ; int res1 = 0 ; int res2 = SWIG_OLDOBJ ; void *argp3 = 0 ; int res3 = 0 ; void *argp4 ; int res4 = 0 ;
21792   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
21793   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
21794     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "CanonicalLabels" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
21795    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); {
21796     std::vector<unsigned int,std::allocator< unsigned int > > *ptr = (std::vector<unsigned int,std::allocator< unsigned int > > *)0;
21797     res2 = swig::asptr(symmetry_classes, &ptr); if (!SWIG_IsOK(res2)) {
21798       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "CanonicalLabels" "', argument " "2"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > const &""'"); }
21799      if (!ptr) {
21800       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "CanonicalLabels" "', argument " "2"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > const &""'"); }
21801      arg2 = ptr; }
21802   res3 = SWIG_R_ConvertPtr(canonical_labels, &argp3, SWIGTYPE_p_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t,  0 );
21803   if (!SWIG_IsOK(res3)) {
21804     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "CanonicalLabels" "', argument " "3"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > &""'");  }
21805    if (!argp3) {
21806     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "CanonicalLabels" "', argument " "3"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > &""'"); }
21807    arg3 = reinterpret_cast< std::vector< unsigned int,std::allocator< unsigned int > > * >(argp3);
21808   res4 = SWIG_R_ConvertPtr(mask, &argp4, SWIGTYPE_p_OpenBabel__OBBitVec,  0 ); if (!SWIG_IsOK(res4)) {
21809     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "CanonicalLabels" "', argument " "4"" of type '" "OpenBabel::OBBitVec const &""'");  }
21810    if (!argp4) {
21811     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "CanonicalLabels" "', argument " "4"" of type '" "OpenBabel::OBBitVec const &""'"); }
21812    arg4 = reinterpret_cast< OpenBabel::OBBitVec * >(argp4); arg5 = static_cast< int >(INTEGER(maxSeconds)[0]);
21813   OpenBabel::CanonicalLabels(arg1,(std::vector< unsigned int,std::allocator< unsigned int > > const &)*arg2,*arg3,(OpenBabel::OBBitVec const &)*arg4,arg5);
21814   r_ans = R_NilValue; if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
21815   return r_ans; }
R_swig_CanonicalLabels__SWIG_2(SEXP mol,SEXP symmetry_classes,SEXP canonical_labels,SEXP mask)21816 SWIGEXPORT SEXP R_swig_CanonicalLabels__SWIG_2 ( SEXP mol, SEXP symmetry_classes, SEXP canonical_labels, SEXP mask) {
21817   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; std::vector< unsigned int,std::allocator< unsigned int > > *arg2 = 0 ;
21818   std::vector< unsigned int,std::allocator< unsigned int > > *arg3 = 0 ; OpenBabel::OBBitVec *arg4 = 0 ; void *argp1 = 0 ;
21819   int res1 = 0 ; int res2 = SWIG_OLDOBJ ; void *argp3 = 0 ; int res3 = 0 ; void *argp4 ; int res4 = 0 ;
21820   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
21821   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
21822     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "CanonicalLabels" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
21823    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); {
21824     std::vector<unsigned int,std::allocator< unsigned int > > *ptr = (std::vector<unsigned int,std::allocator< unsigned int > > *)0;
21825     res2 = swig::asptr(symmetry_classes, &ptr); if (!SWIG_IsOK(res2)) {
21826       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "CanonicalLabels" "', argument " "2"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > const &""'"); }
21827      if (!ptr) {
21828       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "CanonicalLabels" "', argument " "2"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > const &""'"); }
21829      arg2 = ptr; }
21830   res3 = SWIG_R_ConvertPtr(canonical_labels, &argp3, SWIGTYPE_p_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t,  0 );
21831   if (!SWIG_IsOK(res3)) {
21832     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "CanonicalLabels" "', argument " "3"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > &""'");  }
21833    if (!argp3) {
21834     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "CanonicalLabels" "', argument " "3"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > &""'"); }
21835    arg3 = reinterpret_cast< std::vector< unsigned int,std::allocator< unsigned int > > * >(argp3);
21836   res4 = SWIG_R_ConvertPtr(mask, &argp4, SWIGTYPE_p_OpenBabel__OBBitVec,  0 ); if (!SWIG_IsOK(res4)) {
21837     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "CanonicalLabels" "', argument " "4"" of type '" "OpenBabel::OBBitVec const &""'");  }
21838    if (!argp4) {
21839     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "CanonicalLabels" "', argument " "4"" of type '" "OpenBabel::OBBitVec const &""'"); }
21840    arg4 = reinterpret_cast< OpenBabel::OBBitVec * >(argp4);
21841   OpenBabel::CanonicalLabels(arg1,(std::vector< unsigned int,std::allocator< unsigned int > > const &)*arg2,*arg3,(OpenBabel::OBBitVec const &)*arg4);
21842   r_ans = R_NilValue; if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
21843   return r_ans; }
R_swig_CanonicalLabels__SWIG_3(SEXP mol,SEXP symmetry_classes,SEXP canonical_labels)21844 SWIGEXPORT SEXP R_swig_CanonicalLabels__SWIG_3 ( SEXP mol, SEXP symmetry_classes, SEXP canonical_labels) {
21845   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; std::vector< unsigned int,std::allocator< unsigned int > > *arg2 = 0 ;
21846   std::vector< unsigned int,std::allocator< unsigned int > > *arg3 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
21847   int res2 = SWIG_OLDOBJ ; void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
21848   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
21849   if (!SWIG_IsOK(res1)) {
21850     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "CanonicalLabels" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
21851    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); {
21852     std::vector<unsigned int,std::allocator< unsigned int > > *ptr = (std::vector<unsigned int,std::allocator< unsigned int > > *)0;
21853     res2 = swig::asptr(symmetry_classes, &ptr); if (!SWIG_IsOK(res2)) {
21854       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "CanonicalLabels" "', argument " "2"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > const &""'"); }
21855      if (!ptr) {
21856       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "CanonicalLabels" "', argument " "2"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > const &""'"); }
21857      arg2 = ptr; }
21858   res3 = SWIG_R_ConvertPtr(canonical_labels, &argp3, SWIGTYPE_p_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t,  0 );
21859   if (!SWIG_IsOK(res3)) {
21860     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "CanonicalLabels" "', argument " "3"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > &""'");  }
21861    if (!argp3) {
21862     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "CanonicalLabels" "', argument " "3"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > &""'"); }
21863    arg3 = reinterpret_cast< std::vector< unsigned int,std::allocator< unsigned int > > * >(argp3);
21864   OpenBabel::CanonicalLabels(arg1,(std::vector< unsigned int,std::allocator< unsigned int > > const &)*arg2,*arg3);
21865   r_ans = R_NilValue; if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
21866   return r_ans; }
R_swig_OBStereo_MakeRefs__SWIG_0(SEXP ref1,SEXP ref2,SEXP ref3,SEXP ref4,SEXP s_swig_copy)21867 SWIGEXPORT SEXP R_swig_OBStereo_MakeRefs__SWIG_0 ( SEXP ref1, SEXP ref2, SEXP ref3, SEXP ref4, SEXP s_swig_copy) {
21868   SwigValueWrapper< std::vector< unsigned long,std::allocator< unsigned long > > > result; OpenBabel::OBStereo::Ref arg1 ;
21869   OpenBabel::OBStereo::Ref arg2 ; OpenBabel::OBStereo::Ref arg3 ; OpenBabel::OBStereo::Ref arg4 ; long val1 ; int ecode1 = 0 ;
21870   long val2 ; int ecode2 = 0 ; long val3 ; int ecode3 = 0 ; long val4 ; int ecode4 = 0 ; unsigned int r_nprotect = 0;
21871   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; ecode1 = SWIG_AsVal_long(ref1, &val1); if (!SWIG_IsOK(ecode1)) {
21872     SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "OBStereo_MakeRefs" "', argument " "1"" of type '" "OpenBabel::OBStereo::Ref""'"); }
21873     arg1 = static_cast< OpenBabel::OBStereo::Ref >(val1); ecode2 = SWIG_AsVal_long(ref2, &val2); if (!SWIG_IsOK(ecode2)) {
21874     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBStereo_MakeRefs" "', argument " "2"" of type '" "OpenBabel::OBStereo::Ref""'"); }
21875     arg2 = static_cast< OpenBabel::OBStereo::Ref >(val2); ecode3 = SWIG_AsVal_long(ref3, &val3); if (!SWIG_IsOK(ecode3)) {
21876     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "OBStereo_MakeRefs" "', argument " "3"" of type '" "OpenBabel::OBStereo::Ref""'"); }
21877     arg3 = static_cast< OpenBabel::OBStereo::Ref >(val3); ecode4 = SWIG_AsVal_long(ref4, &val4); if (!SWIG_IsOK(ecode4)) {
21878     SWIG_exception_fail(SWIG_ArgError(ecode4), "in method '" "OBStereo_MakeRefs" "', argument " "4"" of type '" "OpenBabel::OBStereo::Ref""'"); }
21879     arg4 = static_cast< OpenBabel::OBStereo::Ref >(val4); result = OpenBabel::OBStereo::MakeRefs(arg1,arg2,arg3,arg4);
21880   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBStereo::Refs(static_cast< const OpenBabel::OBStereo::Refs& >(result))), SWIGTYPE_p_std__vectorT_unsigned_long_std__allocatorT_unsigned_long_t_t, SWIG_POINTER_OWN |  0 );
21881   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBStereo_MakeRefs__SWIG_1(SEXP ref1,SEXP ref2,SEXP ref3,SEXP s_swig_copy)21882 SWIGEXPORT SEXP R_swig_OBStereo_MakeRefs__SWIG_1 ( SEXP ref1, SEXP ref2, SEXP ref3, SEXP s_swig_copy) {
21883   SwigValueWrapper< std::vector< unsigned long,std::allocator< unsigned long > > > result; OpenBabel::OBStereo::Ref arg1 ;
21884   OpenBabel::OBStereo::Ref arg2 ; OpenBabel::OBStereo::Ref arg3 ; long val1 ; int ecode1 = 0 ; long val2 ; int ecode2 = 0 ;
21885   long val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
21886   ecode1 = SWIG_AsVal_long(ref1, &val1); if (!SWIG_IsOK(ecode1)) {
21887     SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "OBStereo_MakeRefs" "', argument " "1"" of type '" "OpenBabel::OBStereo::Ref""'"); }
21888     arg1 = static_cast< OpenBabel::OBStereo::Ref >(val1); ecode2 = SWIG_AsVal_long(ref2, &val2); if (!SWIG_IsOK(ecode2)) {
21889     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBStereo_MakeRefs" "', argument " "2"" of type '" "OpenBabel::OBStereo::Ref""'"); }
21890     arg2 = static_cast< OpenBabel::OBStereo::Ref >(val2); ecode3 = SWIG_AsVal_long(ref3, &val3); if (!SWIG_IsOK(ecode3)) {
21891     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "OBStereo_MakeRefs" "', argument " "3"" of type '" "OpenBabel::OBStereo::Ref""'"); }
21892     arg3 = static_cast< OpenBabel::OBStereo::Ref >(val3); result = OpenBabel::OBStereo::MakeRefs(arg1,arg2,arg3);
21893   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBStereo::Refs(static_cast< const OpenBabel::OBStereo::Refs& >(result))), SWIGTYPE_p_std__vectorT_unsigned_long_std__allocatorT_unsigned_long_t_t, SWIG_POINTER_OWN |  0 );
21894   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBStereo_ContainsSameRefs(SEXP refs1,SEXP refs2,SEXP s_swig_copy)21895 SWIGEXPORT SEXP R_swig_OBStereo_ContainsSameRefs ( SEXP refs1, SEXP refs2, SEXP s_swig_copy) { bool result;
21896   OpenBabel::OBStereo::Refs *arg1 = 0 ; OpenBabel::OBStereo::Refs *arg2 = 0 ; void *argp1 ; int res1 = 0 ; void *argp2 ;
21897   int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
21898   res1 = SWIG_R_ConvertPtr(refs1, &argp1, SWIGTYPE_p_std__vectorT_unsigned_long_std__allocatorT_unsigned_long_t_t,  0 );
21899   if (!SWIG_IsOK(res1)) {
21900     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBStereo_ContainsSameRefs" "', argument " "1"" of type '" "OpenBabel::OBStereo::Refs const &""'");  }
21901    if (!argp1) {
21902     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBStereo_ContainsSameRefs" "', argument " "1"" of type '" "OpenBabel::OBStereo::Refs const &""'"); }
21903    arg1 = reinterpret_cast< OpenBabel::OBStereo::Refs * >(argp1);
21904   res2 = SWIG_R_ConvertPtr(refs2, &argp2, SWIGTYPE_p_std__vectorT_unsigned_long_std__allocatorT_unsigned_long_t_t,  0 );
21905   if (!SWIG_IsOK(res2)) {
21906     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBStereo_ContainsSameRefs" "', argument " "2"" of type '" "OpenBabel::OBStereo::Refs const &""'");  }
21907    if (!argp2) {
21908     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBStereo_ContainsSameRefs" "', argument " "2"" of type '" "OpenBabel::OBStereo::Refs const &""'"); }
21909    arg2 = reinterpret_cast< OpenBabel::OBStereo::Refs * >(argp2);
21910   result = (bool)OpenBabel::OBStereo::ContainsSameRefs((std::vector< unsigned long,std::allocator< unsigned long > > const &)*arg1,(std::vector< unsigned long,std::allocator< unsigned long > > const &)*arg2);
21911   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBStereo_ContainsRef(SEXP refs,SEXP ref,SEXP s_swig_copy)21912 SWIGEXPORT SEXP R_swig_OBStereo_ContainsRef ( SEXP refs, SEXP ref, SEXP s_swig_copy) { bool result;
21913   OpenBabel::OBStereo::Refs *arg1 = 0 ; unsigned long arg2 ; void *argp1 ; int res1 = 0 ; long val2 ; int ecode2 = 0 ;
21914   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
21915   res1 = SWIG_R_ConvertPtr(refs, &argp1, SWIGTYPE_p_std__vectorT_unsigned_long_std__allocatorT_unsigned_long_t_t,  0 );
21916   if (!SWIG_IsOK(res1)) {
21917     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBStereo_ContainsRef" "', argument " "1"" of type '" "OpenBabel::OBStereo::Refs const &""'");  }
21918    if (!argp1) {
21919     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBStereo_ContainsRef" "', argument " "1"" of type '" "OpenBabel::OBStereo::Refs const &""'"); }
21920    arg1 = reinterpret_cast< OpenBabel::OBStereo::Refs * >(argp1); ecode2 = SWIG_AsVal_long(ref, &val2);
21921   if (!SWIG_IsOK(ecode2)) {
21922     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBStereo_ContainsRef" "', argument " "2"" of type '" "unsigned long""'"); }
21923     arg2 = static_cast< unsigned long >(val2);
21924   result = (bool)OpenBabel::OBStereo::ContainsRef((std::vector< unsigned long,std::allocator< unsigned long > > const &)*arg1,arg2);
21925   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBStereo_NumInversions(SEXP refs,SEXP s_swig_copy)21926 SWIGEXPORT SEXP R_swig_OBStereo_NumInversions ( SEXP refs, SEXP s_swig_copy) { int result; OpenBabel::OBStereo::Refs *arg1 = 0 ;
21927   void *argp1 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
21928   res1 = SWIG_R_ConvertPtr(refs, &argp1, SWIGTYPE_p_std__vectorT_unsigned_long_std__allocatorT_unsigned_long_t_t,  0 );
21929   if (!SWIG_IsOK(res1)) {
21930     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBStereo_NumInversions" "', argument " "1"" of type '" "OpenBabel::OBStereo::Refs const &""'");  }
21931    if (!argp1) {
21932     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBStereo_NumInversions" "', argument " "1"" of type '" "OpenBabel::OBStereo::Refs const &""'"); }
21933    arg1 = reinterpret_cast< OpenBabel::OBStereo::Refs * >(argp1);
21934   result = (int)OpenBabel::OBStereo::NumInversions((std::vector< unsigned long,std::allocator< unsigned long > > const &)*arg1);
21935   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBStereo_Permutate(SEXP refs,SEXP i,SEXP j)21936 SWIGEXPORT SEXP R_swig_OBStereo_Permutate ( SEXP refs, SEXP i, SEXP j) { OpenBabel::OBStereo::Refs *arg1 = 0 ; int arg2 ;
21937   int arg3 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
21938   VMAXTYPE r_vmax = vmaxget() ;
21939   res1 = SWIG_R_ConvertPtr(refs, &argp1, SWIGTYPE_p_std__vectorT_unsigned_long_std__allocatorT_unsigned_long_t_t,  0 );
21940   if (!SWIG_IsOK(res1)) {
21941     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBStereo_Permutate" "', argument " "1"" of type '" "OpenBabel::OBStereo::Refs &""'");  }
21942    if (!argp1) {
21943     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBStereo_Permutate" "', argument " "1"" of type '" "OpenBabel::OBStereo::Refs &""'"); }
21944    arg1 = reinterpret_cast< OpenBabel::OBStereo::Refs * >(argp1); arg2 = static_cast< int >(INTEGER(i)[0]);
21945   arg3 = static_cast< int >(INTEGER(j)[0]); OpenBabel::OBStereo::Permutate(*arg1,arg2,arg3); r_ans = R_NilValue;
21946   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBStereo_Permutated(SEXP refs,SEXP i,SEXP j,SEXP s_swig_copy)21947 SWIGEXPORT SEXP R_swig_OBStereo_Permutated ( SEXP refs, SEXP i, SEXP j, SEXP s_swig_copy) {
21948   SwigValueWrapper< std::vector< unsigned long,std::allocator< unsigned long > > > result; OpenBabel::OBStereo::Refs *arg1 = 0 ;
21949   int arg2 ; int arg3 ; void *argp1 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
21950   VMAXTYPE r_vmax = vmaxget() ;
21951   res1 = SWIG_R_ConvertPtr(refs, &argp1, SWIGTYPE_p_std__vectorT_unsigned_long_std__allocatorT_unsigned_long_t_t,  0 );
21952   if (!SWIG_IsOK(res1)) {
21953     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBStereo_Permutated" "', argument " "1"" of type '" "OpenBabel::OBStereo::Refs const &""'");  }
21954    if (!argp1) {
21955     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBStereo_Permutated" "', argument " "1"" of type '" "OpenBabel::OBStereo::Refs const &""'"); }
21956    arg1 = reinterpret_cast< OpenBabel::OBStereo::Refs * >(argp1); arg2 = static_cast< int >(INTEGER(i)[0]);
21957   arg3 = static_cast< int >(INTEGER(j)[0]);
21958   result = OpenBabel::OBStereo::Permutated((std::vector< unsigned long,std::allocator< unsigned long > > const &)*arg1,arg2,arg3);
21959   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBStereo::Refs(static_cast< const OpenBabel::OBStereo::Refs& >(result))), SWIGTYPE_p_std__vectorT_unsigned_long_std__allocatorT_unsigned_long_t_t, SWIG_POINTER_OWN |  0 );
21960   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBStereo()21961 SWIGEXPORT SEXP R_swig_new_OBStereo ( ) { OpenBabel::OBStereo *result = 0 ; unsigned int r_nprotect = 0;
21962   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBStereo *)new OpenBabel::OBStereo();
21963   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBStereo, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
21964   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBStereo(SEXP self)21965 SWIGEXPORT SEXP R_swig_delete_OBStereo ( SEXP self) { OpenBabel::OBStereo *arg1 = (OpenBabel::OBStereo *) 0 ; void *argp1 = 0 ;
21966   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
21967   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBStereo, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
21968     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBStereo" "', argument " "1"" of type '" "OpenBabel::OBStereo *""'");  }
21969    arg1 = reinterpret_cast< OpenBabel::OBStereo * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
21970   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_new_OBStereoUnit__SWIG_0()21971 SWIGEXPORT SEXP R_swig_new_OBStereoUnit__SWIG_0 ( ) { OpenBabel::OBStereoUnit *result = 0 ; unsigned int r_nprotect = 0;
21972   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBStereoUnit *)new OpenBabel::OBStereoUnit();
21973   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBStereoUnit, R_SWIG_OWNER |  0 );
21974   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBStereoUnit__SWIG_1(SEXP s_type,SEXP s_id,SEXP s_para)21975 SWIGEXPORT SEXP R_swig_new_OBStereoUnit__SWIG_1 ( SEXP s_type, SEXP s_id, SEXP s_para) { OpenBabel::OBStereoUnit *result = 0 ;
21976   OpenBabel::OBStereo::Type arg1 ; unsigned long arg2 ; bool arg3 ; int val1 ; int ecode1 = 0 ; long val2 ; int ecode2 = 0 ;
21977   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; ecode1 = SWIG_AsVal_int(s_type, &val1);
21978   if (!SWIG_IsOK(ecode1)) {
21979     SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "new_OBStereoUnit" "', argument " "1"" of type '" "OpenBabel::OBStereo::Type""'"); }
21980     arg1 = static_cast< OpenBabel::OBStereo::Type >(val1); ecode2 = SWIG_AsVal_long(s_id, &val2); if (!SWIG_IsOK(ecode2)) {
21981     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "new_OBStereoUnit" "', argument " "2"" of type '" "unsigned long""'"); }
21982     arg2 = static_cast< unsigned long >(val2); arg3 = LOGICAL(s_para)[0] ? true : false;
21983   result = (OpenBabel::OBStereoUnit *)new OpenBabel::OBStereoUnit(arg1,arg2,arg3);
21984   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBStereoUnit, R_SWIG_OWNER |  0 );
21985   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBStereoUnit__SWIG_2(SEXP s_type,SEXP s_id)21986 SWIGEXPORT SEXP R_swig_new_OBStereoUnit__SWIG_2 ( SEXP s_type, SEXP s_id) { OpenBabel::OBStereoUnit *result = 0 ;
21987   OpenBabel::OBStereo::Type arg1 ; unsigned long arg2 ; int val1 ; int ecode1 = 0 ; long val2 ; int ecode2 = 0 ;
21988   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; ecode1 = SWIG_AsVal_int(s_type, &val1);
21989   if (!SWIG_IsOK(ecode1)) {
21990     SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "new_OBStereoUnit" "', argument " "1"" of type '" "OpenBabel::OBStereo::Type""'"); }
21991     arg1 = static_cast< OpenBabel::OBStereo::Type >(val1); ecode2 = SWIG_AsVal_long(s_id, &val2); if (!SWIG_IsOK(ecode2)) {
21992     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "new_OBStereoUnit" "', argument " "2"" of type '" "unsigned long""'"); }
21993     arg2 = static_cast< unsigned long >(val2); result = (OpenBabel::OBStereoUnit *)new OpenBabel::OBStereoUnit(arg1,arg2);
21994   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBStereoUnit, R_SWIG_OWNER |  0 );
21995   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBStereoUnit_type_set(SEXP self,SEXP s_type)21996 SWIGEXPORT SEXP R_swig_OBStereoUnit_type_set ( SEXP self, SEXP s_type) {
21997   OpenBabel::OBStereoUnit *arg1 = (OpenBabel::OBStereoUnit *) 0 ; OpenBabel::OBStereo::Type arg2 ; void *argp1 = 0 ;
21998   int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
21999   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBStereoUnit, 0 |  0 );
22000   if (!SWIG_IsOK(res1)) {
22001     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBStereoUnit_type_set" "', argument " "1"" of type '" "OpenBabel::OBStereoUnit *""'");  }
22002    arg1 = reinterpret_cast< OpenBabel::OBStereoUnit * >(argp1); ecode2 = SWIG_AsVal_int(s_type, &val2);
22003   if (!SWIG_IsOK(ecode2)) {
22004     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBStereoUnit_type_set" "', argument " "2"" of type '" "OpenBabel::OBStereo::Type""'"); }
22005     arg2 = static_cast< OpenBabel::OBStereo::Type >(val2); if (arg1) (arg1)->type = arg2; r_ans = R_NilValue; vmaxset(r_vmax);
22006   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBStereoUnit_type_get(SEXP self,SEXP s_swig_copy)22007 SWIGEXPORT SEXP R_swig_OBStereoUnit_type_get ( SEXP self, SEXP s_swig_copy) { OpenBabel::OBStereo::Type result;
22008   OpenBabel::OBStereoUnit *arg1 = (OpenBabel::OBStereoUnit *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
22009   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22010   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBStereoUnit, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22011     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBStereoUnit_type_get" "', argument " "1"" of type '" "OpenBabel::OBStereoUnit *""'");  }
22012    arg1 = reinterpret_cast< OpenBabel::OBStereoUnit * >(argp1); result = (OpenBabel::OBStereo::Type) ((arg1)->type);
22013   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBStereoUnit_id_set(SEXP self,SEXP s_id)22014 SWIGEXPORT SEXP R_swig_OBStereoUnit_id_set ( SEXP self, SEXP s_id) {
22015   OpenBabel::OBStereoUnit *arg1 = (OpenBabel::OBStereoUnit *) 0 ; unsigned long arg2 ; void *argp1 = 0 ; int res1 = 0 ;
22016   long val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22017   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBStereoUnit, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22018     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBStereoUnit_id_set" "', argument " "1"" of type '" "OpenBabel::OBStereoUnit *""'");  }
22019    arg1 = reinterpret_cast< OpenBabel::OBStereoUnit * >(argp1); ecode2 = SWIG_AsVal_long(s_id, &val2); if (!SWIG_IsOK(ecode2)) {
22020     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBStereoUnit_id_set" "', argument " "2"" of type '" "unsigned long""'"); }
22021     arg2 = static_cast< unsigned long >(val2); if (arg1) (arg1)->id = arg2; r_ans = R_NilValue; vmaxset(r_vmax);
22022   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBStereoUnit_id_get(SEXP self,SEXP s_swig_copy)22023 SWIGEXPORT SEXP R_swig_OBStereoUnit_id_get ( SEXP self, SEXP s_swig_copy) { unsigned long result;
22024   OpenBabel::OBStereoUnit *arg1 = (OpenBabel::OBStereoUnit *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
22025   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22026   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBStereoUnit, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22027     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBStereoUnit_id_get" "', argument " "1"" of type '" "OpenBabel::OBStereoUnit *""'");  }
22028    arg1 = reinterpret_cast< OpenBabel::OBStereoUnit * >(argp1); result = (unsigned long) ((arg1)->id);
22029   r_ans = SWIG_From_long(static_cast< long >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBStereoUnit_para_set(SEXP self,SEXP s_para)22030 SWIGEXPORT SEXP R_swig_OBStereoUnit_para_set ( SEXP self, SEXP s_para) {
22031   OpenBabel::OBStereoUnit *arg1 = (OpenBabel::OBStereoUnit *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
22032   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22033   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBStereoUnit, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22034     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBStereoUnit_para_set" "', argument " "1"" of type '" "OpenBabel::OBStereoUnit *""'");  }
22035    arg1 = reinterpret_cast< OpenBabel::OBStereoUnit * >(argp1); arg2 = LOGICAL(s_para)[0] ? true : false;
22036   if (arg1) (arg1)->para = arg2; r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBStereoUnit_para_get(SEXP self,SEXP s_swig_copy)22037 SWIGEXPORT SEXP R_swig_OBStereoUnit_para_get ( SEXP self, SEXP s_swig_copy) { bool result;
22038   OpenBabel::OBStereoUnit *arg1 = (OpenBabel::OBStereoUnit *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
22039   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22040   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBStereoUnit, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22041     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBStereoUnit_para_get" "', argument " "1"" of type '" "OpenBabel::OBStereoUnit *""'");  }
22042    arg1 = reinterpret_cast< OpenBabel::OBStereoUnit * >(argp1); result = (bool) ((arg1)->para);
22043   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBStereoUnit(SEXP self)22044 SWIGEXPORT SEXP R_swig_delete_OBStereoUnit ( SEXP self) { OpenBabel::OBStereoUnit *arg1 = (OpenBabel::OBStereoUnit *) 0 ;
22045   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22046   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBStereoUnit, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
22047     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBStereoUnit" "', argument " "1"" of type '" "OpenBabel::OBStereoUnit *""'");  }
22048    arg1 = reinterpret_cast< OpenBabel::OBStereoUnit * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
22049   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_delete_OBStereoBase(SEXP self)22050 SWIGEXPORT SEXP R_swig_delete_OBStereoBase ( SEXP self) { OpenBabel::OBStereoBase *arg1 = (OpenBabel::OBStereoBase *) 0 ;
22051   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22052   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBStereoBase, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
22053     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBStereoBase" "', argument " "1"" of type '" "OpenBabel::OBStereoBase *""'");  }
22054    arg1 = reinterpret_cast< OpenBabel::OBStereoBase * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
22055   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBStereoBase_GetMolecule(SEXP self)22056 SWIGEXPORT SEXP R_swig_OBStereoBase_GetMolecule ( SEXP self) { OpenBabel::OBMol *result = 0 ;
22057   OpenBabel::OBStereoBase *arg1 = (OpenBabel::OBStereoBase *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
22058   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22059   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBStereoBase, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22060     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBStereoBase_GetMolecule" "', argument " "1"" of type '" "OpenBabel::OBStereoBase const *""'");  }
22061    arg1 = reinterpret_cast< OpenBabel::OBStereoBase * >(argp1);
22062   result = (OpenBabel::OBMol *)((OpenBabel::OBStereoBase const *)arg1)->GetMolecule();
22063   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMol, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
22064   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBStereoBase_GetType(SEXP self,SEXP s_swig_copy)22065 SWIGEXPORT SEXP R_swig_OBStereoBase_GetType ( SEXP self, SEXP s_swig_copy) { OpenBabel::OBStereo::Type result;
22066   OpenBabel::OBStereoBase *arg1 = (OpenBabel::OBStereoBase *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
22067   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22068   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBStereoBase, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22069     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBStereoBase_GetType" "', argument " "1"" of type '" "OpenBabel::OBStereoBase const *""'");  }
22070    arg1 = reinterpret_cast< OpenBabel::OBStereoBase * >(argp1);
22071   result = (OpenBabel::OBStereo::Type)((OpenBabel::OBStereoBase const *)arg1)->GetType();
22072   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBStereoBase_SetSpecified(SEXP self,SEXP specified)22073 SWIGEXPORT SEXP R_swig_OBStereoBase_SetSpecified ( SEXP self, SEXP specified) {
22074   OpenBabel::OBStereoBase *arg1 = (OpenBabel::OBStereoBase *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
22075   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22076   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBStereoBase, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22077     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBStereoBase_SetSpecified" "', argument " "1"" of type '" "OpenBabel::OBStereoBase *""'");  }
22078    arg1 = reinterpret_cast< OpenBabel::OBStereoBase * >(argp1); arg2 = LOGICAL(specified)[0] ? true : false;
22079   (arg1)->SetSpecified(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBStereoBase_IsSpecified(SEXP self,SEXP s_swig_copy)22080 SWIGEXPORT SEXP R_swig_OBStereoBase_IsSpecified ( SEXP self, SEXP s_swig_copy) { bool result;
22081   OpenBabel::OBStereoBase *arg1 = (OpenBabel::OBStereoBase *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
22082   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22083   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBStereoBase, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22084     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBStereoBase_IsSpecified" "', argument " "1"" of type '" "OpenBabel::OBStereoBase const *""'");  }
22085    arg1 = reinterpret_cast< OpenBabel::OBStereoBase * >(argp1);
22086   result = (bool)((OpenBabel::OBStereoBase const *)arg1)->IsSpecified(); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
22087   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBStereoFacade__SWIG_0(SEXP mol,SEXP perceive)22088 SWIGEXPORT SEXP R_swig_new_OBStereoFacade__SWIG_0 ( SEXP mol, SEXP perceive) { OpenBabel::OBStereoFacade *result = 0 ;
22089   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
22090   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22091   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22092     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBStereoFacade" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
22093    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = LOGICAL(perceive)[0] ? true : false;
22094   result = (OpenBabel::OBStereoFacade *)new OpenBabel::OBStereoFacade(arg1,arg2);
22095   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBStereoFacade, R_SWIG_OWNER |  0 );
22096   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBStereoFacade__SWIG_1(SEXP mol)22097 SWIGEXPORT SEXP R_swig_new_OBStereoFacade__SWIG_1 ( SEXP mol) { OpenBabel::OBStereoFacade *result = 0 ;
22098   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
22099   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22100   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22101     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBStereoFacade" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
22102    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
22103   result = (OpenBabel::OBStereoFacade *)new OpenBabel::OBStereoFacade(arg1);
22104   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBStereoFacade, R_SWIG_OWNER |  0 );
22105   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBStereoFacade_NumTetrahedralStereo(SEXP self,SEXP s_swig_copy)22106 SWIGEXPORT SEXP R_swig_OBStereoFacade_NumTetrahedralStereo ( SEXP self, SEXP s_swig_copy) { unsigned int result;
22107   OpenBabel::OBStereoFacade *arg1 = (OpenBabel::OBStereoFacade *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
22108   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22109   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBStereoFacade, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22110     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBStereoFacade_NumTetrahedralStereo" "', argument " "1"" of type '" "OpenBabel::OBStereoFacade *""'");  }
22111    arg1 = reinterpret_cast< OpenBabel::OBStereoFacade * >(argp1); result = (unsigned int)(arg1)->NumTetrahedralStereo();
22112   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBStereoFacade_HasTetrahedralStereo(SEXP self,SEXP atomId,SEXP s_swig_copy)22113 SWIGEXPORT SEXP R_swig_OBStereoFacade_HasTetrahedralStereo ( SEXP self, SEXP atomId, SEXP s_swig_copy) { bool result;
22114   OpenBabel::OBStereoFacade *arg1 = (OpenBabel::OBStereoFacade *) 0 ; unsigned long arg2 ; void *argp1 = 0 ; int res1 = 0 ;
22115   long val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22116   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBStereoFacade, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22117     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBStereoFacade_HasTetrahedralStereo" "', argument " "1"" of type '" "OpenBabel::OBStereoFacade *""'");  }
22118    arg1 = reinterpret_cast< OpenBabel::OBStereoFacade * >(argp1); ecode2 = SWIG_AsVal_long(atomId, &val2);
22119   if (!SWIG_IsOK(ecode2)) {
22120     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBStereoFacade_HasTetrahedralStereo" "', argument " "2"" of type '" "unsigned long""'"); }
22121     arg2 = static_cast< unsigned long >(val2); result = (bool)(arg1)->HasTetrahedralStereo(arg2);
22122   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBStereoFacade_GetTetrahedralStereo(SEXP self,SEXP atomId)22123 SWIGEXPORT SEXP R_swig_OBStereoFacade_GetTetrahedralStereo ( SEXP self, SEXP atomId) {
22124   OpenBabel::OBTetrahedralStereo *result = 0 ; OpenBabel::OBStereoFacade *arg1 = (OpenBabel::OBStereoFacade *) 0 ;
22125   unsigned long arg2 ; void *argp1 = 0 ; int res1 = 0 ; long val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0;
22126   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22127   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBStereoFacade, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22128     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBStereoFacade_GetTetrahedralStereo" "', argument " "1"" of type '" "OpenBabel::OBStereoFacade *""'");  }
22129    arg1 = reinterpret_cast< OpenBabel::OBStereoFacade * >(argp1); ecode2 = SWIG_AsVal_long(atomId, &val2);
22130   if (!SWIG_IsOK(ecode2)) {
22131     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBStereoFacade_GetTetrahedralStereo" "', argument " "2"" of type '" "unsigned long""'"); }
22132     arg2 = static_cast< unsigned long >(val2); result = (OpenBabel::OBTetrahedralStereo *)(arg1)->GetTetrahedralStereo(arg2);
22133   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBTetrahedralStereo, R_SWIG_EXTERNAL |  0 );
22134   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBStereoFacade_NumCisTransStereo(SEXP self,SEXP s_swig_copy)22135 SWIGEXPORT SEXP R_swig_OBStereoFacade_NumCisTransStereo ( SEXP self, SEXP s_swig_copy) { unsigned int result;
22136   OpenBabel::OBStereoFacade *arg1 = (OpenBabel::OBStereoFacade *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
22137   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22138   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBStereoFacade, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22139     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBStereoFacade_NumCisTransStereo" "', argument " "1"" of type '" "OpenBabel::OBStereoFacade *""'");  }
22140    arg1 = reinterpret_cast< OpenBabel::OBStereoFacade * >(argp1); result = (unsigned int)(arg1)->NumCisTransStereo();
22141   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBStereoFacade_HasCisTransStereo(SEXP self,SEXP bondId,SEXP s_swig_copy)22142 SWIGEXPORT SEXP R_swig_OBStereoFacade_HasCisTransStereo ( SEXP self, SEXP bondId, SEXP s_swig_copy) { bool result;
22143   OpenBabel::OBStereoFacade *arg1 = (OpenBabel::OBStereoFacade *) 0 ; unsigned long arg2 ; void *argp1 = 0 ; int res1 = 0 ;
22144   long val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22145   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBStereoFacade, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22146     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBStereoFacade_HasCisTransStereo" "', argument " "1"" of type '" "OpenBabel::OBStereoFacade *""'");  }
22147    arg1 = reinterpret_cast< OpenBabel::OBStereoFacade * >(argp1); ecode2 = SWIG_AsVal_long(bondId, &val2);
22148   if (!SWIG_IsOK(ecode2)) {
22149     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBStereoFacade_HasCisTransStereo" "', argument " "2"" of type '" "unsigned long""'"); }
22150     arg2 = static_cast< unsigned long >(val2); result = (bool)(arg1)->HasCisTransStereo(arg2); r_ans = Rf_ScalarLogical(result);
22151   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBStereoFacade_GetCisTransStereo(SEXP self,SEXP bondId)22152 SWIGEXPORT SEXP R_swig_OBStereoFacade_GetCisTransStereo ( SEXP self, SEXP bondId) { OpenBabel::OBCisTransStereo *result = 0 ;
22153   OpenBabel::OBStereoFacade *arg1 = (OpenBabel::OBStereoFacade *) 0 ; unsigned long arg2 ; void *argp1 = 0 ; int res1 = 0 ;
22154   long val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22155   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBStereoFacade, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22156     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBStereoFacade_GetCisTransStereo" "', argument " "1"" of type '" "OpenBabel::OBStereoFacade *""'");  }
22157    arg1 = reinterpret_cast< OpenBabel::OBStereoFacade * >(argp1); ecode2 = SWIG_AsVal_long(bondId, &val2);
22158   if (!SWIG_IsOK(ecode2)) {
22159     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBStereoFacade_GetCisTransStereo" "', argument " "2"" of type '" "unsigned long""'"); }
22160     arg2 = static_cast< unsigned long >(val2); result = (OpenBabel::OBCisTransStereo *)(arg1)->GetCisTransStereo(arg2);
22161   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBCisTransStereo, R_SWIG_EXTERNAL |  0 );
22162   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBStereoFacade_NumSquarePlanarStereo(SEXP self,SEXP s_swig_copy)22163 SWIGEXPORT SEXP R_swig_OBStereoFacade_NumSquarePlanarStereo ( SEXP self, SEXP s_swig_copy) { unsigned int result;
22164   OpenBabel::OBStereoFacade *arg1 = (OpenBabel::OBStereoFacade *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
22165   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22166   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBStereoFacade, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22167     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBStereoFacade_NumSquarePlanarStereo" "', argument " "1"" of type '" "OpenBabel::OBStereoFacade *""'");  }
22168    arg1 = reinterpret_cast< OpenBabel::OBStereoFacade * >(argp1); result = (unsigned int)(arg1)->NumSquarePlanarStereo();
22169   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBStereoFacade_HasSquarePlanarStereo(SEXP self,SEXP atomId,SEXP s_swig_copy)22170 SWIGEXPORT SEXP R_swig_OBStereoFacade_HasSquarePlanarStereo ( SEXP self, SEXP atomId, SEXP s_swig_copy) { bool result;
22171   OpenBabel::OBStereoFacade *arg1 = (OpenBabel::OBStereoFacade *) 0 ; unsigned long arg2 ; void *argp1 = 0 ; int res1 = 0 ;
22172   long val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22173   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBStereoFacade, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22174     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBStereoFacade_HasSquarePlanarStereo" "', argument " "1"" of type '" "OpenBabel::OBStereoFacade *""'");  }
22175    arg1 = reinterpret_cast< OpenBabel::OBStereoFacade * >(argp1); ecode2 = SWIG_AsVal_long(atomId, &val2);
22176   if (!SWIG_IsOK(ecode2)) {
22177     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBStereoFacade_HasSquarePlanarStereo" "', argument " "2"" of type '" "unsigned long""'"); }
22178     arg2 = static_cast< unsigned long >(val2); result = (bool)(arg1)->HasSquarePlanarStereo(arg2);
22179   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBStereoFacade_GetSquarePlanarStereo(SEXP self,SEXP atomId)22180 SWIGEXPORT SEXP R_swig_OBStereoFacade_GetSquarePlanarStereo ( SEXP self, SEXP atomId) {
22181   OpenBabel::OBSquarePlanarStereo *result = 0 ; OpenBabel::OBStereoFacade *arg1 = (OpenBabel::OBStereoFacade *) 0 ;
22182   unsigned long arg2 ; void *argp1 = 0 ; int res1 = 0 ; long val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0;
22183   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22184   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBStereoFacade, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22185     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBStereoFacade_GetSquarePlanarStereo" "', argument " "1"" of type '" "OpenBabel::OBStereoFacade *""'");  }
22186    arg1 = reinterpret_cast< OpenBabel::OBStereoFacade * >(argp1); ecode2 = SWIG_AsVal_long(atomId, &val2);
22187   if (!SWIG_IsOK(ecode2)) {
22188     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBStereoFacade_GetSquarePlanarStereo" "', argument " "2"" of type '" "unsigned long""'"); }
22189     arg2 = static_cast< unsigned long >(val2); result = (OpenBabel::OBSquarePlanarStereo *)(arg1)->GetSquarePlanarStereo(arg2);
22190   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBSquarePlanarStereo, R_SWIG_EXTERNAL |  0 );
22191   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBStereoFacade(SEXP self)22192 SWIGEXPORT SEXP R_swig_delete_OBStereoFacade ( SEXP self) { OpenBabel::OBStereoFacade *arg1 = (OpenBabel::OBStereoFacade *) 0 ;
22193   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22194   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBStereoFacade, SWIG_POINTER_DISOWN |  0 );
22195   if (!SWIG_IsOK(res1)) {
22196     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBStereoFacade" "', argument " "1"" of type '" "OpenBabel::OBStereoFacade *""'");  }
22197    arg1 = reinterpret_cast< OpenBabel::OBStereoFacade * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
22198   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_PerceiveStereo__SWIG_0(SEXP mol,SEXP force)22199 SWIGEXPORT SEXP R_swig_PerceiveStereo__SWIG_0 ( SEXP mol, SEXP force) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
22200   bool arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
22201   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
22202   if (!SWIG_IsOK(res1)) {
22203     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "PerceiveStereo" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
22204    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = LOGICAL(force)[0] ? true : false;
22205   OpenBabel::PerceiveStereo(arg1,arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
22206   return r_ans; }
R_swig_PerceiveStereo__SWIG_1(SEXP mol)22207 SWIGEXPORT SEXP R_swig_PerceiveStereo__SWIG_1 ( SEXP mol) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ;
22208   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22209   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22210     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "PerceiveStereo" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
22211    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); OpenBabel::PerceiveStereo(arg1); r_ans = R_NilValue; vmaxset(r_vmax);
22212   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_StereoFrom2D__SWIG_0(SEXP mol,SEXP updown,SEXP force)22213 SWIGEXPORT SEXP R_swig_StereoFrom2D__SWIG_0 ( SEXP mol, SEXP updown, SEXP force) {
22214   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
22215   std::map< OpenBabel::OBBond *,enum OpenBabel::OBStereo::BondDirection,std::less< OpenBabel::OBBond * >,std::allocator< std::pair< OpenBabel::OBBond *const,enum OpenBabel::OBStereo::BondDirection > > > *arg2 = (std::map< OpenBabel::OBBond *,enum OpenBabel::OBStereo::BondDirection,std::less< OpenBabel::OBBond * >,std::allocator< std::pair< OpenBabel::OBBond *const,enum OpenBabel::OBStereo::BondDirection > > > *) 0 ;
22216   bool arg3 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0;
22217   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22218   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22219     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "StereoFrom2D" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
22220    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
22221   res2 = SWIG_R_ConvertPtr(updown, &argp2, SWIGTYPE_p_std__mapT_OpenBabel__OBBond_p_OpenBabel__OBStereo__BondDirection_std__lessT_OpenBabel__OBBond_p_t_std__allocatorT_std__pairT_OpenBabel__OBBond_pconst_OpenBabel__OBStereo__BondDirection_t_t_t, 0 |  0 );
22222   if (!SWIG_IsOK(res2)) {
22223     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "StereoFrom2D" "', argument " "2"" of type '" "std::map< OpenBabel::OBBond *,enum OpenBabel::OBStereo::BondDirection,std::less< OpenBabel::OBBond * >,std::allocator< std::pair< OpenBabel::OBBond *const,enum OpenBabel::OBStereo::BondDirection > > > *""'");  }
22224 
22225   arg2 = reinterpret_cast< std::map< OpenBabel::OBBond *,enum OpenBabel::OBStereo::BondDirection,std::less< OpenBabel::OBBond * >,std::allocator< std::pair< OpenBabel::OBBond *const,enum OpenBabel::OBStereo::BondDirection > > > * >(argp2);
22226   arg3 = LOGICAL(force)[0] ? true : false; OpenBabel::StereoFrom2D(arg1,arg2,arg3); r_ans = R_NilValue; vmaxset(r_vmax);
22227   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_StereoFrom2D__SWIG_1(SEXP mol,SEXP updown)22228 SWIGEXPORT SEXP R_swig_StereoFrom2D__SWIG_1 ( SEXP mol, SEXP updown) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
22229   std::map< OpenBabel::OBBond *,enum OpenBabel::OBStereo::BondDirection,std::less< OpenBabel::OBBond * >,std::allocator< std::pair< OpenBabel::OBBond *const,enum OpenBabel::OBStereo::BondDirection > > > *arg2 = (std::map< OpenBabel::OBBond *,enum OpenBabel::OBStereo::BondDirection,std::less< OpenBabel::OBBond * >,std::allocator< std::pair< OpenBabel::OBBond *const,enum OpenBabel::OBStereo::BondDirection > > > *) 0 ;
22230   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
22231   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
22232   if (!SWIG_IsOK(res1)) {
22233     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "StereoFrom2D" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
22234    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
22235   res2 = SWIG_R_ConvertPtr(updown, &argp2, SWIGTYPE_p_std__mapT_OpenBabel__OBBond_p_OpenBabel__OBStereo__BondDirection_std__lessT_OpenBabel__OBBond_p_t_std__allocatorT_std__pairT_OpenBabel__OBBond_pconst_OpenBabel__OBStereo__BondDirection_t_t_t, 0 |  0 );
22236   if (!SWIG_IsOK(res2)) {
22237     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "StereoFrom2D" "', argument " "2"" of type '" "std::map< OpenBabel::OBBond *,enum OpenBabel::OBStereo::BondDirection,std::less< OpenBabel::OBBond * >,std::allocator< std::pair< OpenBabel::OBBond *const,enum OpenBabel::OBStereo::BondDirection > > > *""'");  }
22238 
22239   arg2 = reinterpret_cast< std::map< OpenBabel::OBBond *,enum OpenBabel::OBStereo::BondDirection,std::less< OpenBabel::OBBond * >,std::allocator< std::pair< OpenBabel::OBBond *const,enum OpenBabel::OBStereo::BondDirection > > > * >(argp2);
22240   OpenBabel::StereoFrom2D(arg1,arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
22241   return r_ans; }
R_swig_StereoFrom2D__SWIG_2(SEXP mol)22242 SWIGEXPORT SEXP R_swig_StereoFrom2D__SWIG_2 ( SEXP mol) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ;
22243   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22244   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22245     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "StereoFrom2D" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
22246    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); OpenBabel::StereoFrom2D(arg1); r_ans = R_NilValue; vmaxset(r_vmax);
22247   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_StereoFrom3D__SWIG_0(SEXP mol,SEXP force)22248 SWIGEXPORT SEXP R_swig_StereoFrom3D__SWIG_0 ( SEXP mol, SEXP force) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ;
22249   bool arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
22250   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
22251   if (!SWIG_IsOK(res1)) {
22252     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "StereoFrom3D" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
22253    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = LOGICAL(force)[0] ? true : false;
22254   OpenBabel::StereoFrom3D(arg1,arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
22255   return r_ans; }
R_swig_StereoFrom3D__SWIG_1(SEXP mol)22256 SWIGEXPORT SEXP R_swig_StereoFrom3D__SWIG_1 ( SEXP mol) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ;
22257   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22258   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22259     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "StereoFrom3D" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
22260    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); OpenBabel::StereoFrom3D(arg1); r_ans = R_NilValue; vmaxset(r_vmax);
22261   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_StereoFrom0D(SEXP mol)22262 SWIGEXPORT SEXP R_swig_StereoFrom0D ( SEXP mol) { OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ;
22263   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22264   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22265     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "StereoFrom0D" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
22266    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); OpenBabel::StereoFrom0D(arg1); r_ans = R_NilValue; vmaxset(r_vmax);
22267   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_TetrahedralFrom3D__SWIG_0(SEXP mol,SEXP stereoUnits,SEXP addToMol,SEXP s_swig_copy)22268 SWIGEXPORT SEXP R_swig_TetrahedralFrom3D__SWIG_0 ( SEXP mol, SEXP stereoUnits, SEXP addToMol, SEXP s_swig_copy) {
22269   SwigValueWrapper< std::vector< OpenBabel::OBTetrahedralStereo *,std::allocator< OpenBabel::OBTetrahedralStereo * > > > result;
22270   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; OpenBabel::OBStereoUnitSet *arg2 = 0 ; bool arg3 ; void *argp1 = 0 ;
22271   int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
22272   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
22273   if (!SWIG_IsOK(res1)) {
22274     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "TetrahedralFrom3D" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
22275    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
22276   res2 = SWIG_R_ConvertPtr(stereoUnits, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBStereoUnit_std__allocatorT_OpenBabel__OBStereoUnit_t_t,  0 );
22277   if (!SWIG_IsOK(res2)) {
22278     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "TetrahedralFrom3D" "', argument " "2"" of type '" "OpenBabel::OBStereoUnitSet const &""'");  }
22279    if (!argp2) {
22280     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "TetrahedralFrom3D" "', argument " "2"" of type '" "OpenBabel::OBStereoUnitSet const &""'"); }
22281    arg2 = reinterpret_cast< OpenBabel::OBStereoUnitSet * >(argp2); arg3 = LOGICAL(addToMol)[0] ? true : false;
22282   result = OpenBabel::TetrahedralFrom3D(arg1,(std::vector< OpenBabel::OBStereoUnit,std::allocator< OpenBabel::OBStereoUnit > > const &)*arg2,arg3);
22283   r_ans = SWIG_R_NewPointerObj((new std::vector< OpenBabel::OBTetrahedralStereo *,std::allocator< OpenBabel::OBTetrahedralStereo * > >(static_cast< const std::vector< OpenBabel::OBTetrahedralStereo *,std::allocator< OpenBabel::OBTetrahedralStereo * > >& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBTetrahedralStereo_p_std__allocatorT_OpenBabel__OBTetrahedralStereo_p_t_t, SWIG_POINTER_OWN |  0 );
22284   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_TetrahedralFrom3D__SWIG_1(SEXP mol,SEXP stereoUnits,SEXP s_swig_copy)22285 SWIGEXPORT SEXP R_swig_TetrahedralFrom3D__SWIG_1 ( SEXP mol, SEXP stereoUnits, SEXP s_swig_copy) {
22286   SwigValueWrapper< std::vector< OpenBabel::OBTetrahedralStereo *,std::allocator< OpenBabel::OBTetrahedralStereo * > > > result;
22287   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; OpenBabel::OBStereoUnitSet *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
22288   void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22289   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22290     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "TetrahedralFrom3D" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
22291    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
22292   res2 = SWIG_R_ConvertPtr(stereoUnits, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBStereoUnit_std__allocatorT_OpenBabel__OBStereoUnit_t_t,  0 );
22293   if (!SWIG_IsOK(res2)) {
22294     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "TetrahedralFrom3D" "', argument " "2"" of type '" "OpenBabel::OBStereoUnitSet const &""'");  }
22295    if (!argp2) {
22296     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "TetrahedralFrom3D" "', argument " "2"" of type '" "OpenBabel::OBStereoUnitSet const &""'"); }
22297    arg2 = reinterpret_cast< OpenBabel::OBStereoUnitSet * >(argp2);
22298   result = OpenBabel::TetrahedralFrom3D(arg1,(std::vector< OpenBabel::OBStereoUnit,std::allocator< OpenBabel::OBStereoUnit > > const &)*arg2);
22299   r_ans = SWIG_R_NewPointerObj((new std::vector< OpenBabel::OBTetrahedralStereo *,std::allocator< OpenBabel::OBTetrahedralStereo * > >(static_cast< const std::vector< OpenBabel::OBTetrahedralStereo *,std::allocator< OpenBabel::OBTetrahedralStereo * > >& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBTetrahedralStereo_p_std__allocatorT_OpenBabel__OBTetrahedralStereo_p_t_t, SWIG_POINTER_OWN |  0 );
22300   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_TetrahedralFrom2D__SWIG_0(SEXP mol,SEXP stereoUnits,SEXP addToMol,SEXP s_swig_copy)22301 SWIGEXPORT SEXP R_swig_TetrahedralFrom2D__SWIG_0 ( SEXP mol, SEXP stereoUnits, SEXP addToMol, SEXP s_swig_copy) {
22302   SwigValueWrapper< std::vector< OpenBabel::OBTetrahedralStereo *,std::allocator< OpenBabel::OBTetrahedralStereo * > > > result;
22303   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; OpenBabel::OBStereoUnitSet *arg2 = 0 ; bool arg3 ; void *argp1 = 0 ;
22304   int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
22305   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
22306   if (!SWIG_IsOK(res1)) {
22307     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "TetrahedralFrom2D" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
22308    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
22309   res2 = SWIG_R_ConvertPtr(stereoUnits, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBStereoUnit_std__allocatorT_OpenBabel__OBStereoUnit_t_t,  0 );
22310   if (!SWIG_IsOK(res2)) {
22311     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "TetrahedralFrom2D" "', argument " "2"" of type '" "OpenBabel::OBStereoUnitSet const &""'");  }
22312    if (!argp2) {
22313     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "TetrahedralFrom2D" "', argument " "2"" of type '" "OpenBabel::OBStereoUnitSet const &""'"); }
22314    arg2 = reinterpret_cast< OpenBabel::OBStereoUnitSet * >(argp2); arg3 = LOGICAL(addToMol)[0] ? true : false;
22315   result = OpenBabel::TetrahedralFrom2D(arg1,(std::vector< OpenBabel::OBStereoUnit,std::allocator< OpenBabel::OBStereoUnit > > const &)*arg2,arg3);
22316   r_ans = SWIG_R_NewPointerObj((new std::vector< OpenBabel::OBTetrahedralStereo *,std::allocator< OpenBabel::OBTetrahedralStereo * > >(static_cast< const std::vector< OpenBabel::OBTetrahedralStereo *,std::allocator< OpenBabel::OBTetrahedralStereo * > >& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBTetrahedralStereo_p_std__allocatorT_OpenBabel__OBTetrahedralStereo_p_t_t, SWIG_POINTER_OWN |  0 );
22317   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_TetrahedralFrom2D__SWIG_1(SEXP mol,SEXP stereoUnits,SEXP s_swig_copy)22318 SWIGEXPORT SEXP R_swig_TetrahedralFrom2D__SWIG_1 ( SEXP mol, SEXP stereoUnits, SEXP s_swig_copy) {
22319   SwigValueWrapper< std::vector< OpenBabel::OBTetrahedralStereo *,std::allocator< OpenBabel::OBTetrahedralStereo * > > > result;
22320   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; OpenBabel::OBStereoUnitSet *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
22321   void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22322   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22323     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "TetrahedralFrom2D" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
22324    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
22325   res2 = SWIG_R_ConvertPtr(stereoUnits, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBStereoUnit_std__allocatorT_OpenBabel__OBStereoUnit_t_t,  0 );
22326   if (!SWIG_IsOK(res2)) {
22327     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "TetrahedralFrom2D" "', argument " "2"" of type '" "OpenBabel::OBStereoUnitSet const &""'");  }
22328    if (!argp2) {
22329     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "TetrahedralFrom2D" "', argument " "2"" of type '" "OpenBabel::OBStereoUnitSet const &""'"); }
22330    arg2 = reinterpret_cast< OpenBabel::OBStereoUnitSet * >(argp2);
22331   result = OpenBabel::TetrahedralFrom2D(arg1,(std::vector< OpenBabel::OBStereoUnit,std::allocator< OpenBabel::OBStereoUnit > > const &)*arg2);
22332   r_ans = SWIG_R_NewPointerObj((new std::vector< OpenBabel::OBTetrahedralStereo *,std::allocator< OpenBabel::OBTetrahedralStereo * > >(static_cast< const std::vector< OpenBabel::OBTetrahedralStereo *,std::allocator< OpenBabel::OBTetrahedralStereo * > >& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBTetrahedralStereo_p_std__allocatorT_OpenBabel__OBTetrahedralStereo_p_t_t, SWIG_POINTER_OWN |  0 );
22333   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_TetrahedralFrom0D__SWIG_0(SEXP mol,SEXP stereoUnits,SEXP addToMol,SEXP s_swig_copy)22334 SWIGEXPORT SEXP R_swig_TetrahedralFrom0D__SWIG_0 ( SEXP mol, SEXP stereoUnits, SEXP addToMol, SEXP s_swig_copy) {
22335   SwigValueWrapper< std::vector< OpenBabel::OBTetrahedralStereo *,std::allocator< OpenBabel::OBTetrahedralStereo * > > > result;
22336   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; OpenBabel::OBStereoUnitSet *arg2 = 0 ; bool arg3 ; void *argp1 = 0 ;
22337   int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
22338   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
22339   if (!SWIG_IsOK(res1)) {
22340     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "TetrahedralFrom0D" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
22341    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
22342   res2 = SWIG_R_ConvertPtr(stereoUnits, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBStereoUnit_std__allocatorT_OpenBabel__OBStereoUnit_t_t,  0 );
22343   if (!SWIG_IsOK(res2)) {
22344     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "TetrahedralFrom0D" "', argument " "2"" of type '" "OpenBabel::OBStereoUnitSet const &""'");  }
22345    if (!argp2) {
22346     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "TetrahedralFrom0D" "', argument " "2"" of type '" "OpenBabel::OBStereoUnitSet const &""'"); }
22347    arg2 = reinterpret_cast< OpenBabel::OBStereoUnitSet * >(argp2); arg3 = LOGICAL(addToMol)[0] ? true : false;
22348   result = OpenBabel::TetrahedralFrom0D(arg1,(std::vector< OpenBabel::OBStereoUnit,std::allocator< OpenBabel::OBStereoUnit > > const &)*arg2,arg3);
22349   r_ans = SWIG_R_NewPointerObj((new std::vector< OpenBabel::OBTetrahedralStereo *,std::allocator< OpenBabel::OBTetrahedralStereo * > >(static_cast< const std::vector< OpenBabel::OBTetrahedralStereo *,std::allocator< OpenBabel::OBTetrahedralStereo * > >& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBTetrahedralStereo_p_std__allocatorT_OpenBabel__OBTetrahedralStereo_p_t_t, SWIG_POINTER_OWN |  0 );
22350   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_TetrahedralFrom0D__SWIG_1(SEXP mol,SEXP stereoUnits,SEXP s_swig_copy)22351 SWIGEXPORT SEXP R_swig_TetrahedralFrom0D__SWIG_1 ( SEXP mol, SEXP stereoUnits, SEXP s_swig_copy) {
22352   SwigValueWrapper< std::vector< OpenBabel::OBTetrahedralStereo *,std::allocator< OpenBabel::OBTetrahedralStereo * > > > result;
22353   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; OpenBabel::OBStereoUnitSet *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
22354   void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22355   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22356     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "TetrahedralFrom0D" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
22357    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
22358   res2 = SWIG_R_ConvertPtr(stereoUnits, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBStereoUnit_std__allocatorT_OpenBabel__OBStereoUnit_t_t,  0 );
22359   if (!SWIG_IsOK(res2)) {
22360     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "TetrahedralFrom0D" "', argument " "2"" of type '" "OpenBabel::OBStereoUnitSet const &""'");  }
22361    if (!argp2) {
22362     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "TetrahedralFrom0D" "', argument " "2"" of type '" "OpenBabel::OBStereoUnitSet const &""'"); }
22363    arg2 = reinterpret_cast< OpenBabel::OBStereoUnitSet * >(argp2);
22364   result = OpenBabel::TetrahedralFrom0D(arg1,(std::vector< OpenBabel::OBStereoUnit,std::allocator< OpenBabel::OBStereoUnit > > const &)*arg2);
22365   r_ans = SWIG_R_NewPointerObj((new std::vector< OpenBabel::OBTetrahedralStereo *,std::allocator< OpenBabel::OBTetrahedralStereo * > >(static_cast< const std::vector< OpenBabel::OBTetrahedralStereo *,std::allocator< OpenBabel::OBTetrahedralStereo * > >& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBTetrahedralStereo_p_std__allocatorT_OpenBabel__OBTetrahedralStereo_p_t_t, SWIG_POINTER_OWN |  0 );
22366   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_CisTransFrom3D__SWIG_0(SEXP mol,SEXP stereoUnits,SEXP addToMol,SEXP s_swig_copy)22367 SWIGEXPORT SEXP R_swig_CisTransFrom3D__SWIG_0 ( SEXP mol, SEXP stereoUnits, SEXP addToMol, SEXP s_swig_copy) {
22368   SwigValueWrapper< std::vector< OpenBabel::OBCisTransStereo *,std::allocator< OpenBabel::OBCisTransStereo * > > > result;
22369   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; OpenBabel::OBStereoUnitSet *arg2 = 0 ; bool arg3 ; void *argp1 = 0 ;
22370   int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
22371   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
22372   if (!SWIG_IsOK(res1)) {
22373     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "CisTransFrom3D" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
22374    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
22375   res2 = SWIG_R_ConvertPtr(stereoUnits, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBStereoUnit_std__allocatorT_OpenBabel__OBStereoUnit_t_t,  0 );
22376   if (!SWIG_IsOK(res2)) {
22377     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "CisTransFrom3D" "', argument " "2"" of type '" "OpenBabel::OBStereoUnitSet const &""'");  }
22378    if (!argp2) {
22379     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "CisTransFrom3D" "', argument " "2"" of type '" "OpenBabel::OBStereoUnitSet const &""'"); }
22380    arg2 = reinterpret_cast< OpenBabel::OBStereoUnitSet * >(argp2); arg3 = LOGICAL(addToMol)[0] ? true : false;
22381   result = OpenBabel::CisTransFrom3D(arg1,(std::vector< OpenBabel::OBStereoUnit,std::allocator< OpenBabel::OBStereoUnit > > const &)*arg2,arg3);
22382   r_ans = SWIG_R_NewPointerObj((new std::vector< OpenBabel::OBCisTransStereo *,std::allocator< OpenBabel::OBCisTransStereo * > >(static_cast< const std::vector< OpenBabel::OBCisTransStereo *,std::allocator< OpenBabel::OBCisTransStereo * > >& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBCisTransStereo_p_std__allocatorT_OpenBabel__OBCisTransStereo_p_t_t, SWIG_POINTER_OWN |  0 );
22383   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_CisTransFrom3D__SWIG_1(SEXP mol,SEXP stereoUnits,SEXP s_swig_copy)22384 SWIGEXPORT SEXP R_swig_CisTransFrom3D__SWIG_1 ( SEXP mol, SEXP stereoUnits, SEXP s_swig_copy) {
22385   SwigValueWrapper< std::vector< OpenBabel::OBCisTransStereo *,std::allocator< OpenBabel::OBCisTransStereo * > > > result;
22386   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; OpenBabel::OBStereoUnitSet *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
22387   void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22388   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22389     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "CisTransFrom3D" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
22390    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
22391   res2 = SWIG_R_ConvertPtr(stereoUnits, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBStereoUnit_std__allocatorT_OpenBabel__OBStereoUnit_t_t,  0 );
22392   if (!SWIG_IsOK(res2)) {
22393     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "CisTransFrom3D" "', argument " "2"" of type '" "OpenBabel::OBStereoUnitSet const &""'");  }
22394    if (!argp2) {
22395     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "CisTransFrom3D" "', argument " "2"" of type '" "OpenBabel::OBStereoUnitSet const &""'"); }
22396    arg2 = reinterpret_cast< OpenBabel::OBStereoUnitSet * >(argp2);
22397   result = OpenBabel::CisTransFrom3D(arg1,(std::vector< OpenBabel::OBStereoUnit,std::allocator< OpenBabel::OBStereoUnit > > const &)*arg2);
22398   r_ans = SWIG_R_NewPointerObj((new std::vector< OpenBabel::OBCisTransStereo *,std::allocator< OpenBabel::OBCisTransStereo * > >(static_cast< const std::vector< OpenBabel::OBCisTransStereo *,std::allocator< OpenBabel::OBCisTransStereo * > >& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBCisTransStereo_p_std__allocatorT_OpenBabel__OBCisTransStereo_p_t_t, SWIG_POINTER_OWN |  0 );
22399   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_CisTransFrom2D__SWIG_0(SEXP mol,SEXP stereoUnits,SEXP updown,SEXP addToMol,SEXP s_swig_copy)22400 SWIGEXPORT SEXP R_swig_CisTransFrom2D__SWIG_0 ( SEXP mol, SEXP stereoUnits, SEXP updown, SEXP addToMol, SEXP s_swig_copy) {
22401   SwigValueWrapper< std::vector< OpenBabel::OBCisTransStereo *,std::allocator< OpenBabel::OBCisTransStereo * > > > result;
22402   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; OpenBabel::OBStereoUnitSet *arg2 = 0 ;
22403   std::map< OpenBabel::OBBond *,enum OpenBabel::OBStereo::BondDirection,std::less< OpenBabel::OBBond * >,std::allocator< std::pair< OpenBabel::OBBond *const,enum OpenBabel::OBStereo::BondDirection > > > *arg3 = (std::map< OpenBabel::OBBond *,enum OpenBabel::OBStereo::BondDirection,std::less< OpenBabel::OBBond * >,std::allocator< std::pair< OpenBabel::OBBond *const,enum OpenBabel::OBStereo::BondDirection > > > *) 0 ;
22404   bool arg4 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ;
22405   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22406   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22407     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "CisTransFrom2D" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
22408    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
22409   res2 = SWIG_R_ConvertPtr(stereoUnits, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBStereoUnit_std__allocatorT_OpenBabel__OBStereoUnit_t_t,  0 );
22410   if (!SWIG_IsOK(res2)) {
22411     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "CisTransFrom2D" "', argument " "2"" of type '" "OpenBabel::OBStereoUnitSet const &""'");  }
22412    if (!argp2) {
22413     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "CisTransFrom2D" "', argument " "2"" of type '" "OpenBabel::OBStereoUnitSet const &""'"); }
22414    arg2 = reinterpret_cast< OpenBabel::OBStereoUnitSet * >(argp2);
22415   res3 = SWIG_R_ConvertPtr(updown, &argp3, SWIGTYPE_p_std__mapT_OpenBabel__OBBond_p_OpenBabel__OBStereo__BondDirection_std__lessT_OpenBabel__OBBond_p_t_std__allocatorT_std__pairT_OpenBabel__OBBond_pconst_OpenBabel__OBStereo__BondDirection_t_t_t, 0 |  0 );
22416   if (!SWIG_IsOK(res3)) {
22417     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "CisTransFrom2D" "', argument " "3"" of type '" "std::map< OpenBabel::OBBond *,enum OpenBabel::OBStereo::BondDirection,std::less< OpenBabel::OBBond * >,std::allocator< std::pair< OpenBabel::OBBond *const,enum OpenBabel::OBStereo::BondDirection > > > const *""'");  }
22418 
22419   arg3 = reinterpret_cast< std::map< OpenBabel::OBBond *,enum OpenBabel::OBStereo::BondDirection,std::less< OpenBabel::OBBond * >,std::allocator< std::pair< OpenBabel::OBBond *const,enum OpenBabel::OBStereo::BondDirection > > > * >(argp3);
22420   arg4 = LOGICAL(addToMol)[0] ? true : false;
22421   result = OpenBabel::CisTransFrom2D(arg1,(std::vector< OpenBabel::OBStereoUnit,std::allocator< OpenBabel::OBStereoUnit > > const &)*arg2,(std::map< OpenBabel::OBBond *,enum OpenBabel::OBStereo::BondDirection,std::less< OpenBabel::OBBond * >,std::allocator< std::pair< OpenBabel::OBBond *const,enum OpenBabel::OBStereo::BondDirection > > > const *)arg3,arg4);
22422   r_ans = SWIG_R_NewPointerObj((new std::vector< OpenBabel::OBCisTransStereo *,std::allocator< OpenBabel::OBCisTransStereo * > >(static_cast< const std::vector< OpenBabel::OBCisTransStereo *,std::allocator< OpenBabel::OBCisTransStereo * > >& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBCisTransStereo_p_std__allocatorT_OpenBabel__OBCisTransStereo_p_t_t, SWIG_POINTER_OWN |  0 );
22423   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_CisTransFrom2D__SWIG_1(SEXP mol,SEXP stereoUnits,SEXP updown,SEXP s_swig_copy)22424 SWIGEXPORT SEXP R_swig_CisTransFrom2D__SWIG_1 ( SEXP mol, SEXP stereoUnits, SEXP updown, SEXP s_swig_copy) {
22425   SwigValueWrapper< std::vector< OpenBabel::OBCisTransStereo *,std::allocator< OpenBabel::OBCisTransStereo * > > > result;
22426   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; OpenBabel::OBStereoUnitSet *arg2 = 0 ;
22427   std::map< OpenBabel::OBBond *,enum OpenBabel::OBStereo::BondDirection,std::less< OpenBabel::OBBond * >,std::allocator< std::pair< OpenBabel::OBBond *const,enum OpenBabel::OBStereo::BondDirection > > > *arg3 = (std::map< OpenBabel::OBBond *,enum OpenBabel::OBStereo::BondDirection,std::less< OpenBabel::OBBond * >,std::allocator< std::pair< OpenBabel::OBBond *const,enum OpenBabel::OBStereo::BondDirection > > > *) 0 ;
22428   void *argp1 = 0 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0;
22429   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22430   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22431     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "CisTransFrom2D" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
22432    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
22433   res2 = SWIG_R_ConvertPtr(stereoUnits, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBStereoUnit_std__allocatorT_OpenBabel__OBStereoUnit_t_t,  0 );
22434   if (!SWIG_IsOK(res2)) {
22435     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "CisTransFrom2D" "', argument " "2"" of type '" "OpenBabel::OBStereoUnitSet const &""'");  }
22436    if (!argp2) {
22437     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "CisTransFrom2D" "', argument " "2"" of type '" "OpenBabel::OBStereoUnitSet const &""'"); }
22438    arg2 = reinterpret_cast< OpenBabel::OBStereoUnitSet * >(argp2);
22439   res3 = SWIG_R_ConvertPtr(updown, &argp3, SWIGTYPE_p_std__mapT_OpenBabel__OBBond_p_OpenBabel__OBStereo__BondDirection_std__lessT_OpenBabel__OBBond_p_t_std__allocatorT_std__pairT_OpenBabel__OBBond_pconst_OpenBabel__OBStereo__BondDirection_t_t_t, 0 |  0 );
22440   if (!SWIG_IsOK(res3)) {
22441     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "CisTransFrom2D" "', argument " "3"" of type '" "std::map< OpenBabel::OBBond *,enum OpenBabel::OBStereo::BondDirection,std::less< OpenBabel::OBBond * >,std::allocator< std::pair< OpenBabel::OBBond *const,enum OpenBabel::OBStereo::BondDirection > > > const *""'");  }
22442 
22443   arg3 = reinterpret_cast< std::map< OpenBabel::OBBond *,enum OpenBabel::OBStereo::BondDirection,std::less< OpenBabel::OBBond * >,std::allocator< std::pair< OpenBabel::OBBond *const,enum OpenBabel::OBStereo::BondDirection > > > * >(argp3);
22444   result = OpenBabel::CisTransFrom2D(arg1,(std::vector< OpenBabel::OBStereoUnit,std::allocator< OpenBabel::OBStereoUnit > > const &)*arg2,(std::map< OpenBabel::OBBond *,enum OpenBabel::OBStereo::BondDirection,std::less< OpenBabel::OBBond * >,std::allocator< std::pair< OpenBabel::OBBond *const,enum OpenBabel::OBStereo::BondDirection > > > const *)arg3);
22445   r_ans = SWIG_R_NewPointerObj((new std::vector< OpenBabel::OBCisTransStereo *,std::allocator< OpenBabel::OBCisTransStereo * > >(static_cast< const std::vector< OpenBabel::OBCisTransStereo *,std::allocator< OpenBabel::OBCisTransStereo * > >& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBCisTransStereo_p_std__allocatorT_OpenBabel__OBCisTransStereo_p_t_t, SWIG_POINTER_OWN |  0 );
22446   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_CisTransFrom2D__SWIG_2(SEXP mol,SEXP stereoUnits,SEXP s_swig_copy)22447 SWIGEXPORT SEXP R_swig_CisTransFrom2D__SWIG_2 ( SEXP mol, SEXP stereoUnits, SEXP s_swig_copy) {
22448   SwigValueWrapper< std::vector< OpenBabel::OBCisTransStereo *,std::allocator< OpenBabel::OBCisTransStereo * > > > result;
22449   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; OpenBabel::OBStereoUnitSet *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
22450   void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22451   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22452     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "CisTransFrom2D" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
22453    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
22454   res2 = SWIG_R_ConvertPtr(stereoUnits, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBStereoUnit_std__allocatorT_OpenBabel__OBStereoUnit_t_t,  0 );
22455   if (!SWIG_IsOK(res2)) {
22456     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "CisTransFrom2D" "', argument " "2"" of type '" "OpenBabel::OBStereoUnitSet const &""'");  }
22457    if (!argp2) {
22458     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "CisTransFrom2D" "', argument " "2"" of type '" "OpenBabel::OBStereoUnitSet const &""'"); }
22459    arg2 = reinterpret_cast< OpenBabel::OBStereoUnitSet * >(argp2);
22460   result = OpenBabel::CisTransFrom2D(arg1,(std::vector< OpenBabel::OBStereoUnit,std::allocator< OpenBabel::OBStereoUnit > > const &)*arg2);
22461   r_ans = SWIG_R_NewPointerObj((new std::vector< OpenBabel::OBCisTransStereo *,std::allocator< OpenBabel::OBCisTransStereo * > >(static_cast< const std::vector< OpenBabel::OBCisTransStereo *,std::allocator< OpenBabel::OBCisTransStereo * > >& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBCisTransStereo_p_std__allocatorT_OpenBabel__OBCisTransStereo_p_t_t, SWIG_POINTER_OWN |  0 );
22462   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_TetStereoToWedgeHash(SEXP mol,SEXP updown,SEXP from,SEXP s_swig_copy)22463 SWIGEXPORT SEXP R_swig_TetStereoToWedgeHash ( SEXP mol, SEXP updown, SEXP from, SEXP s_swig_copy) { bool result;
22464   OpenBabel::OBMol *arg1 = 0 ;
22465   std::map< OpenBabel::OBBond *,enum OpenBabel::OBStereo::BondDirection,std::less< OpenBabel::OBBond * >,std::allocator< std::pair< OpenBabel::OBBond *const,enum OpenBabel::OBStereo::BondDirection > > > *arg2 = 0 ;
22466   std::map< OpenBabel::OBBond *,OpenBabel::OBStereo::Ref,std::less< OpenBabel::OBBond * >,std::allocator< std::pair< OpenBabel::OBBond *const,OpenBabel::OBStereo::Ref > > > *arg3 = 0 ;
22467   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ;
22468   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22469   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res1)) {
22470     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "TetStereoToWedgeHash" "', argument " "1"" of type '" "OpenBabel::OBMol &""'");  }
22471    if (!argp1) {
22472     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "TetStereoToWedgeHash" "', argument " "1"" of type '" "OpenBabel::OBMol &""'"); }
22473    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
22474   res2 = SWIG_R_ConvertPtr(updown, &argp2, SWIGTYPE_p_std__mapT_OpenBabel__OBBond_p_OpenBabel__OBStereo__BondDirection_std__lessT_OpenBabel__OBBond_p_t_std__allocatorT_std__pairT_OpenBabel__OBBond_pconst_OpenBabel__OBStereo__BondDirection_t_t_t,  0 );
22475   if (!SWIG_IsOK(res2)) {
22476     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "TetStereoToWedgeHash" "', argument " "2"" of type '" "std::map< OpenBabel::OBBond *,enum OpenBabel::OBStereo::BondDirection,std::less< OpenBabel::OBBond * >,std::allocator< std::pair< OpenBabel::OBBond *const,enum OpenBabel::OBStereo::BondDirection > > > &""'");  }
22477    if (!argp2) {
22478     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "TetStereoToWedgeHash" "', argument " "2"" of type '" "std::map< OpenBabel::OBBond *,enum OpenBabel::OBStereo::BondDirection,std::less< OpenBabel::OBBond * >,std::allocator< std::pair< OpenBabel::OBBond *const,enum OpenBabel::OBStereo::BondDirection > > > &""'"); }
22479 
22480   arg2 = reinterpret_cast< std::map< OpenBabel::OBBond *,enum OpenBabel::OBStereo::BondDirection,std::less< OpenBabel::OBBond * >,std::allocator< std::pair< OpenBabel::OBBond *const,enum OpenBabel::OBStereo::BondDirection > > > * >(argp2);
22481   res3 = SWIG_R_ConvertPtr(from, &argp3, SWIGTYPE_p_std__mapT_OpenBabel__OBBond_p_unsigned_long_std__lessT_OpenBabel__OBBond_p_t_std__allocatorT_std__pairT_OpenBabel__OBBond_pconst_unsigned_long_t_t_t,  0 );
22482   if (!SWIG_IsOK(res3)) {
22483     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "TetStereoToWedgeHash" "', argument " "3"" of type '" "std::map< OpenBabel::OBBond *,OpenBabel::OBStereo::Ref,std::less< OpenBabel::OBBond * >,std::allocator< std::pair< OpenBabel::OBBond *const,OpenBabel::OBStereo::Ref > > > &""'");  }
22484    if (!argp3) {
22485     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "TetStereoToWedgeHash" "', argument " "3"" of type '" "std::map< OpenBabel::OBBond *,OpenBabel::OBStereo::Ref,std::less< OpenBabel::OBBond * >,std::allocator< std::pair< OpenBabel::OBBond *const,OpenBabel::OBStereo::Ref > > > &""'"); }
22486 
22487   arg3 = reinterpret_cast< std::map< OpenBabel::OBBond *,OpenBabel::OBStereo::Ref,std::less< OpenBabel::OBBond * >,std::allocator< std::pair< OpenBabel::OBBond *const,OpenBabel::OBStereo::Ref > > > * >(argp3);
22488   result = (bool)OpenBabel::TetStereoToWedgeHash(*arg1,*arg2,*arg3); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
22489   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_GetUnspecifiedCisTrans(SEXP mol,SEXP s_swig_copy)22490 SWIGEXPORT SEXP R_swig_GetUnspecifiedCisTrans ( SEXP mol, SEXP s_swig_copy) {
22491   SwigValueWrapper< std::set< OpenBabel::OBBond * > > result; OpenBabel::OBMol *arg1 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
22492   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22493   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res1)) {
22494     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GetUnspecifiedCisTrans" "', argument " "1"" of type '" "OpenBabel::OBMol &""'");  }
22495    if (!argp1) {
22496     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "GetUnspecifiedCisTrans" "', argument " "1"" of type '" "OpenBabel::OBMol &""'"); }
22497    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); result = OpenBabel::GetUnspecifiedCisTrans(*arg1);
22498   r_ans = SWIG_R_NewPointerObj((new std::set< OpenBabel::OBBond * >(static_cast< const std::set< OpenBabel::OBBond * >& >(result))), SWIGTYPE_p_std__setT_OpenBabel__OBBond_p_t, SWIG_POINTER_OWN |  0 );
22499   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_StereoRefToImplicit(SEXP mol,SEXP atomId)22500 SWIGEXPORT SEXP R_swig_StereoRefToImplicit ( SEXP mol, SEXP atomId) { OpenBabel::OBMol *arg1 = 0 ;
22501   OpenBabel::OBStereo::Ref arg2 ; void *argp1 = 0 ; int res1 = 0 ; long val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0;
22502   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22503   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res1)) {
22504     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "StereoRefToImplicit" "', argument " "1"" of type '" "OpenBabel::OBMol &""'");  }
22505    if (!argp1) {
22506     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "StereoRefToImplicit" "', argument " "1"" of type '" "OpenBabel::OBMol &""'"); }
22507    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); ecode2 = SWIG_AsVal_long(atomId, &val2); if (!SWIG_IsOK(ecode2)) {
22508     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "StereoRefToImplicit" "', argument " "2"" of type '" "OpenBabel::OBStereo::Ref""'"); }
22509     arg2 = static_cast< OpenBabel::OBStereo::Ref >(val2); OpenBabel::StereoRefToImplicit(*arg1,arg2); r_ans = R_NilValue;
22510   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_ImplicitRefToStereo(SEXP mol,SEXP centerId,SEXP newId)22511 SWIGEXPORT SEXP R_swig_ImplicitRefToStereo ( SEXP mol, SEXP centerId, SEXP newId) { OpenBabel::OBMol *arg1 = 0 ;
22512   OpenBabel::OBStereo::Ref arg2 ; OpenBabel::OBStereo::Ref arg3 ; void *argp1 = 0 ; int res1 = 0 ; long val2 ; int ecode2 = 0 ;
22513   long val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22514   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res1)) {
22515     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "ImplicitRefToStereo" "', argument " "1"" of type '" "OpenBabel::OBMol &""'");  }
22516    if (!argp1) {
22517     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "ImplicitRefToStereo" "', argument " "1"" of type '" "OpenBabel::OBMol &""'"); }
22518    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); ecode2 = SWIG_AsVal_long(centerId, &val2); if (!SWIG_IsOK(ecode2)) {
22519     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "ImplicitRefToStereo" "', argument " "2"" of type '" "OpenBabel::OBStereo::Ref""'"); }
22520     arg2 = static_cast< OpenBabel::OBStereo::Ref >(val2); ecode3 = SWIG_AsVal_long(newId, &val3); if (!SWIG_IsOK(ecode3)) {
22521     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "ImplicitRefToStereo" "', argument " "3"" of type '" "OpenBabel::OBStereo::Ref""'"); }
22522     arg3 = static_cast< OpenBabel::OBStereo::Ref >(val3); OpenBabel::ImplicitRefToStereo(*arg1,arg2,arg3); r_ans = R_NilValue;
22523   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_CisTransFrom0D__SWIG_0(SEXP mol,SEXP stereoUnits,SEXP addToMol,SEXP s_swig_copy)22524 SWIGEXPORT SEXP R_swig_CisTransFrom0D__SWIG_0 ( SEXP mol, SEXP stereoUnits, SEXP addToMol, SEXP s_swig_copy) {
22525   SwigValueWrapper< std::vector< OpenBabel::OBCisTransStereo *,std::allocator< OpenBabel::OBCisTransStereo * > > > result;
22526   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; OpenBabel::OBStereoUnitSet *arg2 = 0 ; bool arg3 ; void *argp1 = 0 ;
22527   int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
22528   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
22529   if (!SWIG_IsOK(res1)) {
22530     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "CisTransFrom0D" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
22531    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
22532   res2 = SWIG_R_ConvertPtr(stereoUnits, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBStereoUnit_std__allocatorT_OpenBabel__OBStereoUnit_t_t,  0 );
22533   if (!SWIG_IsOK(res2)) {
22534     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "CisTransFrom0D" "', argument " "2"" of type '" "OpenBabel::OBStereoUnitSet const &""'");  }
22535    if (!argp2) {
22536     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "CisTransFrom0D" "', argument " "2"" of type '" "OpenBabel::OBStereoUnitSet const &""'"); }
22537    arg2 = reinterpret_cast< OpenBabel::OBStereoUnitSet * >(argp2); arg3 = LOGICAL(addToMol)[0] ? true : false;
22538   result = OpenBabel::CisTransFrom0D(arg1,(std::vector< OpenBabel::OBStereoUnit,std::allocator< OpenBabel::OBStereoUnit > > const &)*arg2,arg3);
22539   r_ans = SWIG_R_NewPointerObj((new std::vector< OpenBabel::OBCisTransStereo *,std::allocator< OpenBabel::OBCisTransStereo * > >(static_cast< const std::vector< OpenBabel::OBCisTransStereo *,std::allocator< OpenBabel::OBCisTransStereo * > >& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBCisTransStereo_p_std__allocatorT_OpenBabel__OBCisTransStereo_p_t_t, SWIG_POINTER_OWN |  0 );
22540   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_CisTransFrom0D__SWIG_1(SEXP mol,SEXP stereoUnits,SEXP s_swig_copy)22541 SWIGEXPORT SEXP R_swig_CisTransFrom0D__SWIG_1 ( SEXP mol, SEXP stereoUnits, SEXP s_swig_copy) {
22542   SwigValueWrapper< std::vector< OpenBabel::OBCisTransStereo *,std::allocator< OpenBabel::OBCisTransStereo * > > > result;
22543   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; OpenBabel::OBStereoUnitSet *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
22544   void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22545   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22546     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "CisTransFrom0D" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
22547    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
22548   res2 = SWIG_R_ConvertPtr(stereoUnits, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBStereoUnit_std__allocatorT_OpenBabel__OBStereoUnit_t_t,  0 );
22549   if (!SWIG_IsOK(res2)) {
22550     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "CisTransFrom0D" "', argument " "2"" of type '" "OpenBabel::OBStereoUnitSet const &""'");  }
22551    if (!argp2) {
22552     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "CisTransFrom0D" "', argument " "2"" of type '" "OpenBabel::OBStereoUnitSet const &""'"); }
22553    arg2 = reinterpret_cast< OpenBabel::OBStereoUnitSet * >(argp2);
22554   result = OpenBabel::CisTransFrom0D(arg1,(std::vector< OpenBabel::OBStereoUnit,std::allocator< OpenBabel::OBStereoUnit > > const &)*arg2);
22555   r_ans = SWIG_R_NewPointerObj((new std::vector< OpenBabel::OBCisTransStereo *,std::allocator< OpenBabel::OBCisTransStereo * > >(static_cast< const std::vector< OpenBabel::OBCisTransStereo *,std::allocator< OpenBabel::OBCisTransStereo * > >& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBCisTransStereo_p_std__allocatorT_OpenBabel__OBCisTransStereo_p_t_t, SWIG_POINTER_OWN |  0 );
22556   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_FindStereogenicUnits__SWIG_0(SEXP mol,SEXP symClasses,SEXP s_swig_copy)22557 SWIGEXPORT SEXP R_swig_FindStereogenicUnits__SWIG_0 ( SEXP mol, SEXP symClasses, SEXP s_swig_copy) {
22558   SwigValueWrapper< std::vector< OpenBabel::OBStereoUnit,std::allocator< OpenBabel::OBStereoUnit > > > result;
22559   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; std::vector< unsigned int,std::allocator< unsigned int > > *arg2 = 0 ;
22560   void *argp1 = 0 ; int res1 = 0 ; int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
22561   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
22562   if (!SWIG_IsOK(res1)) {
22563     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "FindStereogenicUnits" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
22564    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); {
22565     std::vector<unsigned int,std::allocator< unsigned int > > *ptr = (std::vector<unsigned int,std::allocator< unsigned int > > *)0;
22566     res2 = swig::asptr(symClasses, &ptr); if (!SWIG_IsOK(res2)) {
22567       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "FindStereogenicUnits" "', argument " "2"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > const &""'"); }
22568      if (!ptr) {
22569       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "FindStereogenicUnits" "', argument " "2"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > const &""'"); }
22570      arg2 = ptr; }
22571   result = OpenBabel::FindStereogenicUnits(arg1,(std::vector< unsigned int,std::allocator< unsigned int > > const &)*arg2);
22572   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBStereoUnitSet(static_cast< const OpenBabel::OBStereoUnitSet& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBStereoUnit_std__allocatorT_OpenBabel__OBStereoUnit_t_t, SWIG_POINTER_OWN |  0 );
22573   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_FindStereogenicUnits__SWIG_1(SEXP mol,SEXP symClasses,SEXP automorphisms,SEXP s_swig_copy)22574 SWIGEXPORT SEXP R_swig_FindStereogenicUnits__SWIG_1 ( SEXP mol, SEXP symClasses, SEXP automorphisms, SEXP s_swig_copy) {
22575   SwigValueWrapper< std::vector< OpenBabel::OBStereoUnit,std::allocator< OpenBabel::OBStereoUnit > > > result;
22576   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; std::vector< unsigned int,std::allocator< unsigned int > > *arg2 = 0 ;
22577   OpenBabel::Automorphisms *arg3 = 0 ; void *argp1 = 0 ; int res1 = 0 ; int res2 = SWIG_OLDOBJ ; int res3 = SWIG_OLDOBJ ;
22578   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22579   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22580     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "FindStereogenicUnits" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
22581    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); {
22582     std::vector<unsigned int,std::allocator< unsigned int > > *ptr = (std::vector<unsigned int,std::allocator< unsigned int > > *)0;
22583     res2 = swig::asptr(symClasses, &ptr); if (!SWIG_IsOK(res2)) {
22584       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "FindStereogenicUnits" "', argument " "2"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > const &""'"); }
22585      if (!ptr) {
22586       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "FindStereogenicUnits" "', argument " "2"" of type '" "std::vector< unsigned int,std::allocator< unsigned int > > const &""'"); }
22587      arg2 = ptr; }  {
22588     std::vector<std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > >,std::allocator< std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > > > *ptr = (std::vector<std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > >,std::allocator< std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > > > *)0;
22589     res3 = swig::asptr(automorphisms, &ptr); if (!SWIG_IsOK(res3)) {
22590       SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "FindStereogenicUnits" "', argument " "3"" of type '" "OpenBabel::Automorphisms const &""'"); }
22591      if (!ptr) {
22592       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "FindStereogenicUnits" "', argument " "3"" of type '" "OpenBabel::Automorphisms const &""'"); }
22593      arg3 = ptr; }
22594   result = OpenBabel::FindStereogenicUnits(arg1,(std::vector< unsigned int,std::allocator< unsigned int > > const &)*arg2,(std::vector< std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > >,std::allocator< std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > > > const &)*arg3);
22595   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBStereoUnitSet(static_cast< const OpenBabel::OBStereoUnitSet& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBStereoUnit_std__allocatorT_OpenBabel__OBStereoUnit_t_t, SWIG_POINTER_OWN |  0 );
22596   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; vmaxset(r_vmax);
22597   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBBitVec__SWIG_0()22598 SWIGEXPORT SEXP R_swig_new_OBBitVec__SWIG_0 ( ) { OpenBabel::OBBitVec *result = 0 ; unsigned int r_nprotect = 0;
22599   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBBitVec *)new OpenBabel::OBBitVec();
22600   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBitVec, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
22601   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBBitVec__SWIG_1(SEXP size_in_bits)22602 SWIGEXPORT SEXP R_swig_new_OBBitVec__SWIG_1 ( SEXP size_in_bits) { OpenBabel::OBBitVec *result = 0 ; unsigned int arg1 ;
22603   int val1 ; int ecode1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22604   ecode1 = SWIG_AsVal_int(size_in_bits, &val1); if (!SWIG_IsOK(ecode1)) {
22605     SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "new_OBBitVec" "', argument " "1"" of type '" "unsigned int""'"); }
22606     arg1 = static_cast< unsigned int >(val1); result = (OpenBabel::OBBitVec *)new OpenBabel::OBBitVec(arg1);
22607   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBitVec, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
22608   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBBitVec__SWIG_2(SEXP bv)22609 SWIGEXPORT SEXP R_swig_new_OBBitVec__SWIG_2 ( SEXP bv) { OpenBabel::OBBitVec *result = 0 ; OpenBabel::OBBitVec *arg1 = 0 ;
22610   void *argp1 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22611   res1 = SWIG_R_ConvertPtr(bv, &argp1, SWIGTYPE_p_OpenBabel__OBBitVec,  0 ); if (!SWIG_IsOK(res1)) {
22612     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBBitVec" "', argument " "1"" of type '" "OpenBabel::OBBitVec const &""'");  }
22613    if (!argp1) {
22614     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBBitVec" "', argument " "1"" of type '" "OpenBabel::OBBitVec const &""'"); }
22615    arg1 = reinterpret_cast< OpenBabel::OBBitVec * >(argp1);
22616   result = (OpenBabel::OBBitVec *)new OpenBabel::OBBitVec((OpenBabel::OBBitVec const &)*arg1);
22617   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBitVec, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
22618   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBitVec_SetBitOn(SEXP self,SEXP bit_offset)22619 SWIGEXPORT SEXP R_swig_OBBitVec_SetBitOn ( SEXP self, SEXP bit_offset) { OpenBabel::OBBitVec *arg1 = (OpenBabel::OBBitVec *) 0 ;
22620   unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0;
22621   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22622   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBitVec, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22623     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBitVec_SetBitOn" "', argument " "1"" of type '" "OpenBabel::OBBitVec *""'");  }
22624    arg1 = reinterpret_cast< OpenBabel::OBBitVec * >(argp1); ecode2 = SWIG_AsVal_int(bit_offset, &val2);
22625   if (!SWIG_IsOK(ecode2)) {
22626     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBBitVec_SetBitOn" "', argument " "2"" of type '" "unsigned int""'"); }
22627     arg2 = static_cast< unsigned int >(val2); (arg1)->SetBitOn(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
22628   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBitVec_SetBitOff(SEXP self,SEXP bit_offset)22629 SWIGEXPORT SEXP R_swig_OBBitVec_SetBitOff ( SEXP self, SEXP bit_offset) {
22630   OpenBabel::OBBitVec *arg1 = (OpenBabel::OBBitVec *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ;
22631   int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22632   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBitVec, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22633     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBitVec_SetBitOff" "', argument " "1"" of type '" "OpenBabel::OBBitVec *""'");  }
22634    arg1 = reinterpret_cast< OpenBabel::OBBitVec * >(argp1); ecode2 = SWIG_AsVal_int(bit_offset, &val2);
22635   if (!SWIG_IsOK(ecode2)) {
22636     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBBitVec_SetBitOff" "', argument " "2"" of type '" "unsigned int""'"); }
22637     arg2 = static_cast< unsigned int >(val2); (arg1)->SetBitOff(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
22638   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBitVec_SetRangeOn(SEXP self,SEXP lo_bit_offset,SEXP hi_bit_offset)22639 SWIGEXPORT SEXP R_swig_OBBitVec_SetRangeOn ( SEXP self, SEXP lo_bit_offset, SEXP hi_bit_offset) {
22640   OpenBabel::OBBitVec *arg1 = (OpenBabel::OBBitVec *) 0 ; unsigned int arg2 ; unsigned int arg3 ; void *argp1 = 0 ;
22641   int res1 = 0 ; int val2 ; int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
22642   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBitVec, 0 |  0 );
22643   if (!SWIG_IsOK(res1)) {
22644     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBitVec_SetRangeOn" "', argument " "1"" of type '" "OpenBabel::OBBitVec *""'");  }
22645    arg1 = reinterpret_cast< OpenBabel::OBBitVec * >(argp1); ecode2 = SWIG_AsVal_int(lo_bit_offset, &val2);
22646   if (!SWIG_IsOK(ecode2)) {
22647     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBBitVec_SetRangeOn" "', argument " "2"" of type '" "unsigned int""'"); }
22648     arg2 = static_cast< unsigned int >(val2); ecode3 = SWIG_AsVal_int(hi_bit_offset, &val3); if (!SWIG_IsOK(ecode3)) {
22649     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "OBBitVec_SetRangeOn" "', argument " "3"" of type '" "unsigned int""'"); }
22650     arg3 = static_cast< unsigned int >(val3); (arg1)->SetRangeOn(arg2,arg3); r_ans = R_NilValue; vmaxset(r_vmax);
22651   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBitVec_SetRangeOff(SEXP self,SEXP lo_bit_offset,SEXP hi_bit_offset)22652 SWIGEXPORT SEXP R_swig_OBBitVec_SetRangeOff ( SEXP self, SEXP lo_bit_offset, SEXP hi_bit_offset) {
22653   OpenBabel::OBBitVec *arg1 = (OpenBabel::OBBitVec *) 0 ; unsigned int arg2 ; unsigned int arg3 ; void *argp1 = 0 ;
22654   int res1 = 0 ; int val2 ; int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
22655   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBitVec, 0 |  0 );
22656   if (!SWIG_IsOK(res1)) {
22657     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBitVec_SetRangeOff" "', argument " "1"" of type '" "OpenBabel::OBBitVec *""'");  }
22658    arg1 = reinterpret_cast< OpenBabel::OBBitVec * >(argp1); ecode2 = SWIG_AsVal_int(lo_bit_offset, &val2);
22659   if (!SWIG_IsOK(ecode2)) {
22660     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBBitVec_SetRangeOff" "', argument " "2"" of type '" "unsigned int""'"); }
22661     arg2 = static_cast< unsigned int >(val2); ecode3 = SWIG_AsVal_int(hi_bit_offset, &val3); if (!SWIG_IsOK(ecode3)) {
22662     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "OBBitVec_SetRangeOff" "', argument " "3"" of type '" "unsigned int""'"); }
22663     arg3 = static_cast< unsigned int >(val3); (arg1)->SetRangeOff(arg2,arg3); r_ans = R_NilValue; vmaxset(r_vmax);
22664   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBitVec_Fold(SEXP self,SEXP new_bit_size)22665 SWIGEXPORT SEXP R_swig_OBBitVec_Fold ( SEXP self, SEXP new_bit_size) { OpenBabel::OBBitVec *arg1 = (OpenBabel::OBBitVec *) 0 ;
22666   unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0;
22667   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22668   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBitVec, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22669     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBitVec_Fold" "', argument " "1"" of type '" "OpenBabel::OBBitVec *""'");  }
22670    arg1 = reinterpret_cast< OpenBabel::OBBitVec * >(argp1); ecode2 = SWIG_AsVal_int(new_bit_size, &val2);
22671   if (!SWIG_IsOK(ecode2)) {
22672     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBBitVec_Fold" "', argument " "2"" of type '" "unsigned int""'"); }
22673     arg2 = static_cast< unsigned int >(val2); (arg1)->Fold(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
22674   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBitVec_FirstBit__SWIG_0(SEXP self,SEXP bit_offset,SEXP s_swig_copy)22675 SWIGEXPORT SEXP R_swig_OBBitVec_FirstBit__SWIG_0 ( SEXP self, SEXP bit_offset, SEXP s_swig_copy) { int result;
22676   OpenBabel::OBBitVec *arg1 = (OpenBabel::OBBitVec *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ;
22677   int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22678   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBitVec, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22679     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBitVec_FirstBit" "', argument " "1"" of type '" "OpenBabel::OBBitVec const *""'");  }
22680    arg1 = reinterpret_cast< OpenBabel::OBBitVec * >(argp1); ecode2 = SWIG_AsVal_int(bit_offset, &val2);
22681   if (!SWIG_IsOK(ecode2)) {
22682     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBBitVec_FirstBit" "', argument " "2"" of type '" "unsigned int""'"); }
22683     arg2 = static_cast< unsigned int >(val2); result = (int)((OpenBabel::OBBitVec const *)arg1)->FirstBit(arg2);
22684   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBitVec_FirstBit__SWIG_1(SEXP self,SEXP s_swig_copy)22685 SWIGEXPORT SEXP R_swig_OBBitVec_FirstBit__SWIG_1 ( SEXP self, SEXP s_swig_copy) { int result;
22686   OpenBabel::OBBitVec *arg1 = (OpenBabel::OBBitVec *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
22687   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22688   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBitVec, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22689     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBitVec_FirstBit" "', argument " "1"" of type '" "OpenBabel::OBBitVec const *""'");  }
22690    arg1 = reinterpret_cast< OpenBabel::OBBitVec * >(argp1); result = (int)((OpenBabel::OBBitVec const *)arg1)->FirstBit();
22691   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBitVec_NextBit(SEXP self,SEXP last_bit_offset,SEXP s_swig_copy)22692 SWIGEXPORT SEXP R_swig_OBBitVec_NextBit ( SEXP self, SEXP last_bit_offset, SEXP s_swig_copy) { int result;
22693   OpenBabel::OBBitVec *arg1 = (OpenBabel::OBBitVec *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
22694   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22695   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBitVec, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22696     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBitVec_NextBit" "', argument " "1"" of type '" "OpenBabel::OBBitVec const *""'");  }
22697    arg1 = reinterpret_cast< OpenBabel::OBBitVec * >(argp1); arg2 = static_cast< int >(INTEGER(last_bit_offset)[0]);
22698   result = (int)((OpenBabel::OBBitVec const *)arg1)->NextBit(arg2); r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax);
22699   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBitVec_EndBit(SEXP self,SEXP s_swig_copy)22700 SWIGEXPORT SEXP R_swig_OBBitVec_EndBit ( SEXP self, SEXP s_swig_copy) { int result;
22701   OpenBabel::OBBitVec *arg1 = (OpenBabel::OBBitVec *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
22702   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22703   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBitVec, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22704     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBitVec_EndBit" "', argument " "1"" of type '" "OpenBabel::OBBitVec const *""'");  }
22705    arg1 = reinterpret_cast< OpenBabel::OBBitVec * >(argp1); result = (int)((OpenBabel::OBBitVec const *)arg1)->EndBit();
22706   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBitVec_GetSize(SEXP self,SEXP s_swig_copy)22707 SWIGEXPORT SEXP R_swig_OBBitVec_GetSize ( SEXP self, SEXP s_swig_copy) { size_t result;
22708   OpenBabel::OBBitVec *arg1 = (OpenBabel::OBBitVec *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
22709   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22710   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBitVec, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22711     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBitVec_GetSize" "', argument " "1"" of type '" "OpenBabel::OBBitVec const *""'");  }
22712    arg1 = reinterpret_cast< OpenBabel::OBBitVec * >(argp1); result = ((OpenBabel::OBBitVec const *)arg1)->GetSize();
22713   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBitVec_CountBits(SEXP self,SEXP s_swig_copy)22714 SWIGEXPORT SEXP R_swig_OBBitVec_CountBits ( SEXP self, SEXP s_swig_copy) { unsigned int result;
22715   OpenBabel::OBBitVec *arg1 = (OpenBabel::OBBitVec *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
22716   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22717   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBitVec, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22718     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBitVec_CountBits" "', argument " "1"" of type '" "OpenBabel::OBBitVec const *""'");  }
22719    arg1 = reinterpret_cast< OpenBabel::OBBitVec * >(argp1);
22720   result = (unsigned int)((OpenBabel::OBBitVec const *)arg1)->CountBits(); r_ans = SWIG_From_int(static_cast< int >(result));
22721   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBitVec_Empty(SEXP self,SEXP s_swig_copy)22722 SWIGEXPORT SEXP R_swig_OBBitVec_Empty ( SEXP self, SEXP s_swig_copy) { bool result;
22723   OpenBabel::OBBitVec *arg1 = (OpenBabel::OBBitVec *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
22724   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22725   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBitVec, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22726     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBitVec_Empty" "', argument " "1"" of type '" "OpenBabel::OBBitVec const *""'");  }
22727    arg1 = reinterpret_cast< OpenBabel::OBBitVec * >(argp1); result = (bool)((OpenBabel::OBBitVec const *)arg1)->Empty();
22728   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBitVec_IsEmpty(SEXP self,SEXP s_swig_copy)22729 SWIGEXPORT SEXP R_swig_OBBitVec_IsEmpty ( SEXP self, SEXP s_swig_copy) { bool result;
22730   OpenBabel::OBBitVec *arg1 = (OpenBabel::OBBitVec *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
22731   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22732   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBitVec, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22733     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBitVec_IsEmpty" "', argument " "1"" of type '" "OpenBabel::OBBitVec const *""'");  }
22734    arg1 = reinterpret_cast< OpenBabel::OBBitVec * >(argp1); result = (bool)((OpenBabel::OBBitVec const *)arg1)->IsEmpty();
22735   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBitVec_Resize(SEXP self,SEXP size_in_bits,SEXP s_swig_copy)22736 SWIGEXPORT SEXP R_swig_OBBitVec_Resize ( SEXP self, SEXP size_in_bits, SEXP s_swig_copy) { bool result;
22737   OpenBabel::OBBitVec *arg1 = (OpenBabel::OBBitVec *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ;
22738   int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22739   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBitVec, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22740     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBitVec_Resize" "', argument " "1"" of type '" "OpenBabel::OBBitVec *""'");  }
22741    arg1 = reinterpret_cast< OpenBabel::OBBitVec * >(argp1); ecode2 = SWIG_AsVal_int(size_in_bits, &val2);
22742   if (!SWIG_IsOK(ecode2)) {
22743     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBBitVec_Resize" "', argument " "2"" of type '" "unsigned int""'"); }
22744     arg2 = static_cast< unsigned int >(val2); result = (bool)(arg1)->Resize(arg2); r_ans = Rf_ScalarLogical(result);
22745   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBitVec_ResizeWords(SEXP self,SEXP size_in_words,SEXP s_swig_copy)22746 SWIGEXPORT SEXP R_swig_OBBitVec_ResizeWords ( SEXP self, SEXP size_in_words, SEXP s_swig_copy) { bool result;
22747   OpenBabel::OBBitVec *arg1 = (OpenBabel::OBBitVec *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ;
22748   int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22749   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBitVec, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22750     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBitVec_ResizeWords" "', argument " "1"" of type '" "OpenBabel::OBBitVec *""'");  }
22751    arg1 = reinterpret_cast< OpenBabel::OBBitVec * >(argp1); ecode2 = SWIG_AsVal_int(size_in_words, &val2);
22752   if (!SWIG_IsOK(ecode2)) {
22753     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBBitVec_ResizeWords" "', argument " "2"" of type '" "unsigned int""'"); }
22754     arg2 = static_cast< unsigned int >(val2); result = (bool)(arg1)->ResizeWords(arg2); r_ans = Rf_ScalarLogical(result);
22755   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBitVec_BitIsSet(SEXP self,SEXP bit_offset,SEXP s_swig_copy)22756 SWIGEXPORT SEXP R_swig_OBBitVec_BitIsSet ( SEXP self, SEXP bit_offset, SEXP s_swig_copy) { bool result;
22757   OpenBabel::OBBitVec *arg1 = (OpenBabel::OBBitVec *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ;
22758   int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22759   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBitVec, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22760     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBitVec_BitIsSet" "', argument " "1"" of type '" "OpenBabel::OBBitVec const *""'");  }
22761    arg1 = reinterpret_cast< OpenBabel::OBBitVec * >(argp1); ecode2 = SWIG_AsVal_int(bit_offset, &val2);
22762   if (!SWIG_IsOK(ecode2)) {
22763     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBBitVec_BitIsSet" "', argument " "2"" of type '" "unsigned int""'"); }
22764     arg2 = static_cast< unsigned int >(val2); result = (bool)((OpenBabel::OBBitVec const *)arg1)->BitIsSet(arg2);
22765   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBitVec_BitIsOn(SEXP self,SEXP bit_offset,SEXP s_swig_copy)22766 SWIGEXPORT SEXP R_swig_OBBitVec_BitIsOn ( SEXP self, SEXP bit_offset, SEXP s_swig_copy) { bool result;
22767   OpenBabel::OBBitVec *arg1 = (OpenBabel::OBBitVec *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
22768   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22769   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBitVec, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22770     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBitVec_BitIsOn" "', argument " "1"" of type '" "OpenBabel::OBBitVec const *""'");  }
22771    arg1 = reinterpret_cast< OpenBabel::OBBitVec * >(argp1); arg2 = static_cast< int >(INTEGER(bit_offset)[0]);
22772   result = (bool)((OpenBabel::OBBitVec const *)arg1)->BitIsOn(arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
22773   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBitVec_FromVecInt(SEXP self,SEXP bit_offsets)22774 SWIGEXPORT SEXP R_swig_OBBitVec_FromVecInt ( SEXP self, SEXP bit_offsets) {
22775   OpenBabel::OBBitVec *arg1 = (OpenBabel::OBBitVec *) 0 ; std::vector< int,std::allocator< int > > *arg2 = 0 ; void *argp1 = 0 ;
22776   int res1 = 0 ; int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22777   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBitVec, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22778     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBitVec_FromVecInt" "', argument " "1"" of type '" "OpenBabel::OBBitVec *""'");  }
22779    arg1 = reinterpret_cast< OpenBabel::OBBitVec * >(argp1); {
22780     std::vector<int,std::allocator< int > > *ptr = (std::vector<int,std::allocator< int > > *)0;
22781     res2 = swig::asptr(bit_offsets, &ptr); if (!SWIG_IsOK(res2)) {
22782       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBBitVec_FromVecInt" "', argument " "2"" of type '" "std::vector< int,std::allocator< int > > const &""'"); }
22783      if (!ptr) {
22784       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBBitVec_FromVecInt" "', argument " "2"" of type '" "std::vector< int,std::allocator< int > > const &""'"); }
22785      arg2 = ptr; }  (arg1)->FromVecInt((std::vector< int,std::allocator< int > > const &)*arg2); r_ans = R_NilValue;
22786   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBitVec_FromString(SEXP self,SEXP line,SEXP bits)22787 SWIGEXPORT SEXP R_swig_OBBitVec_FromString ( SEXP self, SEXP line, SEXP bits) {
22788   OpenBabel::OBBitVec *arg1 = (OpenBabel::OBBitVec *) 0 ; std::string *arg2 = 0 ; int arg3 ; void *argp1 = 0 ; int res1 = 0 ;
22789   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22790   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBitVec, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22791     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBitVec_FromString" "', argument " "1"" of type '" "OpenBabel::OBBitVec *""'");  }
22792    arg1 = reinterpret_cast< OpenBabel::OBBitVec * >(argp1); { std::string *ptr = (std::string *)0;
22793     res2 = SWIG_AsPtr_std_string(line, &ptr); if (!SWIG_IsOK(res2)) {
22794       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBBitVec_FromString" "', argument " "2"" of type '" "std::string const &""'"); }
22795      if (!ptr) {
22796       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBBitVec_FromString" "', argument " "2"" of type '" "std::string const &""'"); }
22797      arg2 = ptr; }  arg3 = static_cast< int >(INTEGER(bits)[0]); (arg1)->FromString((std::string const &)*arg2,arg3);
22798   r_ans = R_NilValue; if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
22799   return r_ans; }
R_swig_OBBitVec_ToVecInt(SEXP self,SEXP bit_offsets)22800 SWIGEXPORT SEXP R_swig_OBBitVec_ToVecInt ( SEXP self, SEXP bit_offsets) {
22801   OpenBabel::OBBitVec *arg1 = (OpenBabel::OBBitVec *) 0 ; std::vector< int,std::allocator< int > > *arg2 = 0 ; void *argp1 = 0 ;
22802   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
22803   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBitVec, 0 |  0 );
22804   if (!SWIG_IsOK(res1)) {
22805     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBitVec_ToVecInt" "', argument " "1"" of type '" "OpenBabel::OBBitVec const *""'");  }
22806    arg1 = reinterpret_cast< OpenBabel::OBBitVec * >(argp1);
22807   res2 = SWIG_R_ConvertPtr(bit_offsets, &argp2, SWIGTYPE_p_std__vectorT_int_std__allocatorT_int_t_t,  0 );
22808   if (!SWIG_IsOK(res2)) {
22809     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBBitVec_ToVecInt" "', argument " "2"" of type '" "std::vector< int,std::allocator< int > > &""'");  }
22810    if (!argp2) {
22811     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBBitVec_ToVecInt" "', argument " "2"" of type '" "std::vector< int,std::allocator< int > > &""'"); }
22812    arg2 = reinterpret_cast< std::vector< int,std::allocator< int > > * >(argp2);
22813   ((OpenBabel::OBBitVec const *)arg1)->ToVecInt(*arg2); r_ans = R_NilValue; vmaxset(r_vmax);
22814   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBitVec_Clear(SEXP self)22815 SWIGEXPORT SEXP R_swig_OBBitVec_Clear ( SEXP self) { OpenBabel::OBBitVec *arg1 = (OpenBabel::OBBitVec *) 0 ; void *argp1 = 0 ;
22816   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22817   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBitVec, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22818     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBitVec_Clear" "', argument " "1"" of type '" "OpenBabel::OBBitVec *""'");  }
22819    arg1 = reinterpret_cast< OpenBabel::OBBitVec * >(argp1); (arg1)->Clear(); r_ans = R_NilValue; vmaxset(r_vmax);
22820   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBitVec_Negate(SEXP self)22821 SWIGEXPORT SEXP R_swig_OBBitVec_Negate ( SEXP self) { OpenBabel::OBBitVec *arg1 = (OpenBabel::OBBitVec *) 0 ; void *argp1 = 0 ;
22822   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22823   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBitVec, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22824     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBitVec_Negate" "', argument " "1"" of type '" "OpenBabel::OBBitVec *""'");  }
22825    arg1 = reinterpret_cast< OpenBabel::OBBitVec * >(argp1); (arg1)->Negate(); r_ans = R_NilValue; vmaxset(r_vmax);
22826   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBBitVec_GetWords(SEXP self,SEXP vec)22827 SWIGEXPORT SEXP R_swig_OBBitVec_GetWords ( SEXP self, SEXP vec) { OpenBabel::OBBitVec *arg1 = (OpenBabel::OBBitVec *) 0 ;
22828   OpenBabel::OBBitVec::word_vector *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
22829   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22830   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBitVec, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22831     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBBitVec_GetWords" "', argument " "1"" of type '" "OpenBabel::OBBitVec *""'");  }
22832    arg1 = reinterpret_cast< OpenBabel::OBBitVec * >(argp1);
22833   res2 = SWIG_R_ConvertPtr(vec, &argp2, SWIGTYPE_p_std__vectorT_uint32_t_std__allocatorT_uint32_t_t_t,  0 );
22834   if (!SWIG_IsOK(res2)) {
22835     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBBitVec_GetWords" "', argument " "2"" of type '" "OpenBabel::OBBitVec::word_vector &""'");  }
22836    if (!argp2) {
22837     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBBitVec_GetWords" "', argument " "2"" of type '" "OpenBabel::OBBitVec::word_vector &""'"); }
22838    arg2 = reinterpret_cast< OpenBabel::OBBitVec::word_vector * >(argp2); (arg1)->GetWords(*arg2); r_ans = R_NilValue;
22839   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_Minus(SEXP bv1,SEXP bv2,SEXP s_swig_copy)22840 SWIGEXPORT SEXP R_swig_Minus ( SEXP bv1, SEXP bv2, SEXP s_swig_copy) { OpenBabel::OBBitVec result;
22841   OpenBabel::OBBitVec *arg1 = 0 ; OpenBabel::OBBitVec *arg2 = 0 ; void *argp1 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ;
22842   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22843   res1 = SWIG_R_ConvertPtr(bv1, &argp1, SWIGTYPE_p_OpenBabel__OBBitVec,  0 ); if (!SWIG_IsOK(res1)) {
22844     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Minus" "', argument " "1"" of type '" "OpenBabel::OBBitVec const &""'");  }
22845    if (!argp1) {
22846     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "Minus" "', argument " "1"" of type '" "OpenBabel::OBBitVec const &""'"); }
22847    arg1 = reinterpret_cast< OpenBabel::OBBitVec * >(argp1);
22848   res2 = SWIG_R_ConvertPtr(bv2, &argp2, SWIGTYPE_p_OpenBabel__OBBitVec,  0 ); if (!SWIG_IsOK(res2)) {
22849     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "Minus" "', argument " "2"" of type '" "OpenBabel::OBBitVec const &""'");  }
22850    if (!argp2) {
22851     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "Minus" "', argument " "2"" of type '" "OpenBabel::OBBitVec const &""'"); }
22852    arg2 = reinterpret_cast< OpenBabel::OBBitVec * >(argp2);
22853   result = operator -((OpenBabel::OBBitVec const &)*arg1,(OpenBabel::OBBitVec const &)*arg2);
22854   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBBitVec(static_cast< const OpenBabel::OBBitVec& >(result))), SWIGTYPE_p_OpenBabel__OBBitVec, SWIG_POINTER_OWN |  0 );
22855   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_EqualEqual(SEXP bv1,SEXP bv2,SEXP s_swig_copy)22856 SWIGEXPORT SEXP R_swig_EqualEqual ( SEXP bv1, SEXP bv2, SEXP s_swig_copy) { bool result; OpenBabel::OBBitVec *arg1 = 0 ;
22857   OpenBabel::OBBitVec *arg2 = 0 ; void *argp1 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0;
22858   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22859   res1 = SWIG_R_ConvertPtr(bv1, &argp1, SWIGTYPE_p_OpenBabel__OBBitVec,  0 ); if (!SWIG_IsOK(res1)) {
22860     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "EqualEqual" "', argument " "1"" of type '" "OpenBabel::OBBitVec const &""'");  }
22861    if (!argp1) {
22862     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "EqualEqual" "', argument " "1"" of type '" "OpenBabel::OBBitVec const &""'"); }
22863    arg1 = reinterpret_cast< OpenBabel::OBBitVec * >(argp1);
22864   res2 = SWIG_R_ConvertPtr(bv2, &argp2, SWIGTYPE_p_OpenBabel__OBBitVec,  0 ); if (!SWIG_IsOK(res2)) {
22865     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "EqualEqual" "', argument " "2"" of type '" "OpenBabel::OBBitVec const &""'");  }
22866    if (!argp2) {
22867     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "EqualEqual" "', argument " "2"" of type '" "OpenBabel::OBBitVec const &""'"); }
22868    arg2 = reinterpret_cast< OpenBabel::OBBitVec * >(argp2);
22869   result = (bool)operator ==((OpenBabel::OBBitVec const &)*arg1,(OpenBabel::OBBitVec const &)*arg2);
22870   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_LessThan(SEXP bv1,SEXP bv2,SEXP s_swig_copy)22871 SWIGEXPORT SEXP R_swig_LessThan ( SEXP bv1, SEXP bv2, SEXP s_swig_copy) { bool result; OpenBabel::OBBitVec *arg1 = 0 ;
22872   OpenBabel::OBBitVec *arg2 = 0 ; void *argp1 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0;
22873   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22874   res1 = SWIG_R_ConvertPtr(bv1, &argp1, SWIGTYPE_p_OpenBabel__OBBitVec,  0 ); if (!SWIG_IsOK(res1)) {
22875     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "LessThan" "', argument " "1"" of type '" "OpenBabel::OBBitVec const &""'");  }
22876    if (!argp1) {
22877     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "LessThan" "', argument " "1"" of type '" "OpenBabel::OBBitVec const &""'"); }
22878    arg1 = reinterpret_cast< OpenBabel::OBBitVec * >(argp1);
22879   res2 = SWIG_R_ConvertPtr(bv2, &argp2, SWIGTYPE_p_OpenBabel__OBBitVec,  0 ); if (!SWIG_IsOK(res2)) {
22880     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "LessThan" "', argument " "2"" of type '" "OpenBabel::OBBitVec const &""'");  }
22881    if (!argp2) {
22882     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "LessThan" "', argument " "2"" of type '" "OpenBabel::OBBitVec const &""'"); }
22883    arg2 = reinterpret_cast< OpenBabel::OBBitVec * >(argp2);
22884   result = (bool)operator <((OpenBabel::OBBitVec const &)*arg1,(OpenBabel::OBBitVec const &)*arg2);
22885   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBBitVec(SEXP self)22886 SWIGEXPORT SEXP R_swig_delete_OBBitVec ( SEXP self) { OpenBabel::OBBitVec *arg1 = (OpenBabel::OBBitVec *) 0 ; void *argp1 = 0 ;
22887   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22888   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBBitVec, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
22889     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBBitVec" "', argument " "1"" of type '" "OpenBabel::OBBitVec *""'");  }
22890    arg1 = reinterpret_cast< OpenBabel::OBBitVec * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
22891   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_Tanimoto(SEXP bv1,SEXP bv2,SEXP s_swig_copy)22892 SWIGEXPORT SEXP R_swig_Tanimoto ( SEXP bv1, SEXP bv2, SEXP s_swig_copy) { double result; OpenBabel::OBBitVec *arg1 = 0 ;
22893   OpenBabel::OBBitVec *arg2 = 0 ; void *argp1 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0;
22894   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22895   res1 = SWIG_R_ConvertPtr(bv1, &argp1, SWIGTYPE_p_OpenBabel__OBBitVec,  0 ); if (!SWIG_IsOK(res1)) {
22896     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Tanimoto" "', argument " "1"" of type '" "OpenBabel::OBBitVec const &""'");  }
22897    if (!argp1) {
22898     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "Tanimoto" "', argument " "1"" of type '" "OpenBabel::OBBitVec const &""'"); }
22899    arg1 = reinterpret_cast< OpenBabel::OBBitVec * >(argp1);
22900   res2 = SWIG_R_ConvertPtr(bv2, &argp2, SWIGTYPE_p_OpenBabel__OBBitVec,  0 ); if (!SWIG_IsOK(res2)) {
22901     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "Tanimoto" "', argument " "2"" of type '" "OpenBabel::OBBitVec const &""'");  }
22902    if (!argp2) {
22903     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "Tanimoto" "', argument " "2"" of type '" "OpenBabel::OBBitVec const &""'"); }
22904    arg2 = reinterpret_cast< OpenBabel::OBBitVec * >(argp2);
22905   result = (double)OpenBabel::Tanimoto((OpenBabel::OBBitVec const &)*arg1,(OpenBabel::OBBitVec const &)*arg2);
22906   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
22907   return r_ans; }
R_swig_new_OBRotorRule(SEXP buffer,SEXP ref,SEXP vals,SEXP d)22908 SWIGEXPORT SEXP R_swig_new_OBRotorRule ( SEXP buffer, SEXP ref, SEXP vals, SEXP d) { OpenBabel::OBRotorRule *result = 0 ;
22909   char *arg1 = (char *) 0 ; int *arg2 ; std::vector< double,std::allocator< double > > *arg3 = 0 ; double arg4 ;
22910   void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22911   arg1 = reinterpret_cast< char * >(SWIG_strdup(CHAR(STRING_ELT(buffer, 0)))); { { int _rswigi; int _rswiglen = LENGTH(ref);
22912       arg2 = static_cast< int * >(calloc(sizeof(int), _rswiglen)); for (_rswigi=0; _rswigi< _rswiglen; _rswigi++) {
22913         arg2[_rswigi] = INTEGER(ref)[_rswigi]; }  }  }
22914   res3 = SWIG_R_ConvertPtr(vals, &argp3, SWIGTYPE_p_std__vectorT_double_std__allocatorT_double_t_t,  0 );
22915   if (!SWIG_IsOK(res3)) {
22916     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "new_OBRotorRule" "', argument " "3"" of type '" "std::vector< double,std::allocator< double > > &""'");  }
22917    if (!argp3) {
22918     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBRotorRule" "', argument " "3"" of type '" "std::vector< double,std::allocator< double > > &""'"); }
22919    arg3 = reinterpret_cast< std::vector< double,std::allocator< double > > * >(argp3); arg4 = static_cast< double >(REAL(d)[0]);
22920   result = (OpenBabel::OBRotorRule *)new OpenBabel::OBRotorRule(arg1,arg2,*arg3,arg4);
22921   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBRotorRule, R_SWIG_OWNER |  0 ); free(arg1);
22922   free(arg2); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBRotorRule(SEXP self)22923 SWIGEXPORT SEXP R_swig_delete_OBRotorRule ( SEXP self) { OpenBabel::OBRotorRule *arg1 = (OpenBabel::OBRotorRule *) 0 ;
22924   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22925   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotorRule, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
22926     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBRotorRule" "', argument " "1"" of type '" "OpenBabel::OBRotorRule *""'");  }
22927    arg1 = reinterpret_cast< OpenBabel::OBRotorRule * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
22928   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBRotorRule_IsValid(SEXP self,SEXP s_swig_copy)22929 SWIGEXPORT SEXP R_swig_OBRotorRule_IsValid ( SEXP self, SEXP s_swig_copy) { bool result;
22930   OpenBabel::OBRotorRule *arg1 = (OpenBabel::OBRotorRule *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
22931   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22932   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotorRule, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22933     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotorRule_IsValid" "', argument " "1"" of type '" "OpenBabel::OBRotorRule *""'");  }
22934    arg1 = reinterpret_cast< OpenBabel::OBRotorRule * >(argp1); result = (bool)(arg1)->IsValid();
22935   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotorRule_GetReferenceAtoms(SEXP self,SEXP ref)22936 SWIGEXPORT SEXP R_swig_OBRotorRule_GetReferenceAtoms ( SEXP self, SEXP ref) {
22937   OpenBabel::OBRotorRule *arg1 = (OpenBabel::OBRotorRule *) 0 ; int *arg2 ; void *argp1 = 0 ; int res1 = 0 ;
22938   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22939   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotorRule, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22940     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotorRule_GetReferenceAtoms" "', argument " "1"" of type '" "OpenBabel::OBRotorRule *""'");  }
22941    arg1 = reinterpret_cast< OpenBabel::OBRotorRule * >(argp1); { { int _rswigi; int _rswiglen = LENGTH(ref);
22942       arg2 = static_cast< int * >(calloc(sizeof(int), _rswiglen)); for (_rswigi=0; _rswigi< _rswiglen; _rswigi++) {
22943         arg2[_rswigi] = INTEGER(ref)[_rswigi]; }  }  }  (arg1)->GetReferenceAtoms(arg2); r_ans = R_NilValue; free(arg2);
22944   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotorRule_SetDelta(SEXP self,SEXP d)22945 SWIGEXPORT SEXP R_swig_OBRotorRule_SetDelta ( SEXP self, SEXP d) { OpenBabel::OBRotorRule *arg1 = (OpenBabel::OBRotorRule *) 0 ;
22946   double arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
22947   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotorRule, 0 |  0 );
22948   if (!SWIG_IsOK(res1)) {
22949     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotorRule_SetDelta" "', argument " "1"" of type '" "OpenBabel::OBRotorRule *""'");  }
22950    arg1 = reinterpret_cast< OpenBabel::OBRotorRule * >(argp1); arg2 = static_cast< double >(REAL(d)[0]); (arg1)->SetDelta(arg2);
22951   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotorRule_GetDelta(SEXP self,SEXP s_swig_copy)22952 SWIGEXPORT SEXP R_swig_OBRotorRule_GetDelta ( SEXP self, SEXP s_swig_copy) { double result;
22953   OpenBabel::OBRotorRule *arg1 = (OpenBabel::OBRotorRule *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
22954   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22955   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotorRule, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22956     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotorRule_GetDelta" "', argument " "1"" of type '" "OpenBabel::OBRotorRule *""'");  }
22957    arg1 = reinterpret_cast< OpenBabel::OBRotorRule * >(argp1); result = (double)(arg1)->GetDelta();
22958   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
22959   return r_ans; }
R_swig_OBRotorRule_GetTorsionVals(SEXP self,SEXP s_swig_copy)22960 SWIGEXPORT SEXP R_swig_OBRotorRule_GetTorsionVals ( SEXP self, SEXP s_swig_copy) {
22961   std::vector< double,std::allocator< double > > *result = 0 ; OpenBabel::OBRotorRule *arg1 = (OpenBabel::OBRotorRule *) 0 ;
22962   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22963   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotorRule, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22964     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotorRule_GetTorsionVals" "', argument " "1"" of type '" "OpenBabel::OBRotorRule *""'");  }
22965    arg1 = reinterpret_cast< OpenBabel::OBRotorRule * >(argp1);
22966   result = (std::vector< double,std::allocator< double > > *) &(arg1)->GetTorsionVals();
22967   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_double_std__allocatorT_double_t_t, R_SWIG_EXTERNAL |  0 );
22968   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotorRule_GetSmartsString(SEXP self,SEXP s_swig_copy)22969 SWIGEXPORT SEXP R_swig_OBRotorRule_GetSmartsString ( SEXP self, SEXP s_swig_copy) { std::string *result = 0 ;
22970   OpenBabel::OBRotorRule *arg1 = (OpenBabel::OBRotorRule *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
22971   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22972   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotorRule, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22973     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotorRule_GetSmartsString" "', argument " "1"" of type '" "OpenBabel::OBRotorRule *""'");  }
22974    arg1 = reinterpret_cast< OpenBabel::OBRotorRule * >(argp1); result = (std::string *) &(arg1)->GetSmartsString();
22975   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__string, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
22976   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotorRule_GetSmartsPattern(SEXP self)22977 SWIGEXPORT SEXP R_swig_OBRotorRule_GetSmartsPattern ( SEXP self) { OpenBabel::OBSmartsPattern *result = 0 ;
22978   OpenBabel::OBRotorRule *arg1 = (OpenBabel::OBRotorRule *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
22979   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22980   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotorRule, 0 |  0 ); if (!SWIG_IsOK(res1)) {
22981     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotorRule_GetSmartsPattern" "', argument " "1"" of type '" "OpenBabel::OBRotorRule *""'");  }
22982    arg1 = reinterpret_cast< OpenBabel::OBRotorRule * >(argp1);
22983   result = (OpenBabel::OBSmartsPattern *)(arg1)->GetSmartsPattern();
22984   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBSmartsPattern, R_SWIG_EXTERNAL |  0 );
22985   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBRotorRules()22986 SWIGEXPORT SEXP R_swig_new_OBRotorRules ( ) { OpenBabel::OBRotorRules *result = 0 ; unsigned int r_nprotect = 0;
22987   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBRotorRules *)new OpenBabel::OBRotorRules();
22988   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBRotorRules, R_SWIG_OWNER |  0 );
22989   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBRotorRules(SEXP self)22990 SWIGEXPORT SEXP R_swig_delete_OBRotorRules ( SEXP self) { OpenBabel::OBRotorRules *arg1 = (OpenBabel::OBRotorRules *) 0 ;
22991   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22992   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotorRules, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
22993     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBRotorRules" "', argument " "1"" of type '" "OpenBabel::OBRotorRules *""'");  }
22994    arg1 = reinterpret_cast< OpenBabel::OBRotorRules * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
22995   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBRotorRules_SetFilename(SEXP self,SEXP s)22996 SWIGEXPORT SEXP R_swig_OBRotorRules_SetFilename ( SEXP self, SEXP s) {
22997   OpenBabel::OBRotorRules *arg1 = (OpenBabel::OBRotorRules *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
22998   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
22999   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotorRules, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23000     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotorRules_SetFilename" "', argument " "1"" of type '" "OpenBabel::OBRotorRules *""'");  }
23001    arg1 = reinterpret_cast< OpenBabel::OBRotorRules * >(argp1);
23002   res2 = SWIG_R_ConvertPtr(s, &argp2, SWIGTYPE_p_std__string,  0 ); if (!SWIG_IsOK(res2)) {
23003     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRotorRules_SetFilename" "', argument " "2"" of type '" "std::string &""'");  }
23004    if (!argp2) {
23005     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRotorRules_SetFilename" "', argument " "2"" of type '" "std::string &""'"); }
23006    arg2 = reinterpret_cast< std::string * >(argp2); (arg1)->SetFilename(*arg2); r_ans = R_NilValue; vmaxset(r_vmax);
23007   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotorRules_GetRotorIncrements(SEXP self,SEXP mol,SEXP bond,SEXP refs,SEXP vals,SEXP delta)23008 SWIGEXPORT SEXP R_swig_OBRotorRules_GetRotorIncrements ( SEXP self, SEXP mol, SEXP bond, SEXP refs, SEXP vals, SEXP delta) {
23009   OpenBabel::OBRotorRules *arg1 = (OpenBabel::OBRotorRules *) 0 ; OpenBabel::OBMol *arg2 = 0 ;
23010   OpenBabel::OBBond *arg3 = (OpenBabel::OBBond *) 0 ; int *arg4 ; std::vector< double,std::allocator< double > > *arg5 = 0 ;
23011   double *arg6 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ;
23012   void *argp5 = 0 ; int res5 = 0 ; void *argp6 = 0 ; int res6 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
23013   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotorRules, 0 |  0 );
23014   if (!SWIG_IsOK(res1)) {
23015     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotorRules_GetRotorIncrements" "', argument " "1"" of type '" "OpenBabel::OBRotorRules *""'");  }
23016    arg1 = reinterpret_cast< OpenBabel::OBRotorRules * >(argp1);
23017   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
23018     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRotorRules_GetRotorIncrements" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
23019    if (!argp2) {
23020     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRotorRules_GetRotorIncrements" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
23021    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2);
23022   res3 = SWIG_R_ConvertPtr(bond, &argp3, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res3)) {
23023     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBRotorRules_GetRotorIncrements" "', argument " "3"" of type '" "OpenBabel::OBBond *""'");  }
23024    arg3 = reinterpret_cast< OpenBabel::OBBond * >(argp3); { { int _rswigi; int _rswiglen = LENGTH(refs);
23025       arg4 = static_cast< int * >(calloc(sizeof(int), _rswiglen)); for (_rswigi=0; _rswigi< _rswiglen; _rswigi++) {
23026         arg4[_rswigi] = INTEGER(refs)[_rswigi]; }  }  }
23027   res5 = SWIG_R_ConvertPtr(vals, &argp5, SWIGTYPE_p_std__vectorT_double_std__allocatorT_double_t_t,  0 );
23028   if (!SWIG_IsOK(res5)) {
23029     SWIG_exception_fail(SWIG_ArgError(res5), "in method '" "OBRotorRules_GetRotorIncrements" "', argument " "5"" of type '" "std::vector< double,std::allocator< double > > &""'");  }
23030    if (!argp5) {
23031     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRotorRules_GetRotorIncrements" "', argument " "5"" of type '" "std::vector< double,std::allocator< double > > &""'"); }
23032    arg5 = reinterpret_cast< std::vector< double,std::allocator< double > > * >(argp5);
23033   res6 = SWIG_R_ConvertPtr(delta, &argp6, SWIGTYPE_p_double,  0 ); if (!SWIG_IsOK(res6)) {
23034     SWIG_exception_fail(SWIG_ArgError(res6), "in method '" "OBRotorRules_GetRotorIncrements" "', argument " "6"" of type '" "double &""'");  }
23035    if (!argp6) {
23036     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRotorRules_GetRotorIncrements" "', argument " "6"" of type '" "double &""'"); }
23037    arg6 = reinterpret_cast< double * >(argp6); (arg1)->GetRotorIncrements(*arg2,arg3,arg4,*arg5,*arg6); r_ans = R_NilValue;
23038   free(arg4); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotorRules_Quiet(SEXP self)23039 SWIGEXPORT SEXP R_swig_OBRotorRules_Quiet ( SEXP self) { OpenBabel::OBRotorRules *arg1 = (OpenBabel::OBRotorRules *) 0 ;
23040   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23041   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotorRules, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23042     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotorRules_Quiet" "', argument " "1"" of type '" "OpenBabel::OBRotorRules *""'");  }
23043    arg1 = reinterpret_cast< OpenBabel::OBRotorRules * >(argp1); (arg1)->Quiet(); r_ans = R_NilValue; vmaxset(r_vmax);
23044   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBRotor()23045 SWIGEXPORT SEXP R_swig_new_OBRotor ( ) { OpenBabel::OBRotor *result = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
23046   VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBRotor *)new OpenBabel::OBRotor();
23047   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBRotor, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
23048   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBRotor(SEXP self)23049 SWIGEXPORT SEXP R_swig_delete_OBRotor ( SEXP self) { OpenBabel::OBRotor *arg1 = (OpenBabel::OBRotor *) 0 ; void *argp1 = 0 ;
23050   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23051   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotor, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
23052     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBRotor" "', argument " "1"" of type '" "OpenBabel::OBRotor *""'");  }
23053    arg1 = reinterpret_cast< OpenBabel::OBRotor * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
23054   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBRotor_SetBond(SEXP self,SEXP bond)23055 SWIGEXPORT SEXP R_swig_OBRotor_SetBond ( SEXP self, SEXP bond) { OpenBabel::OBRotor *arg1 = (OpenBabel::OBRotor *) 0 ;
23056   OpenBabel::OBBond *arg2 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
23057   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23058   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23059     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotor_SetBond" "', argument " "1"" of type '" "OpenBabel::OBRotor *""'");  }
23060    arg1 = reinterpret_cast< OpenBabel::OBRotor * >(argp1);
23061   res2 = SWIG_R_ConvertPtr(bond, &argp2, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res2)) {
23062     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRotor_SetBond" "', argument " "2"" of type '" "OpenBabel::OBBond *""'");  }
23063    arg2 = reinterpret_cast< OpenBabel::OBBond * >(argp2); (arg1)->SetBond(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
23064   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotor_SetIdx(SEXP self,SEXP idx)23065 SWIGEXPORT SEXP R_swig_OBRotor_SetIdx ( SEXP self, SEXP idx) { OpenBabel::OBRotor *arg1 = (OpenBabel::OBRotor *) 0 ; int arg2 ;
23066   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23067   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23068     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotor_SetIdx" "', argument " "1"" of type '" "OpenBabel::OBRotor *""'");  }
23069    arg1 = reinterpret_cast< OpenBabel::OBRotor * >(argp1); arg2 = static_cast< int >(INTEGER(idx)[0]); (arg1)->SetIdx(arg2);
23070   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotor_SetDihedralAtoms__SWIG_0(SEXP self,SEXP ref)23071 SWIGEXPORT SEXP R_swig_OBRotor_SetDihedralAtoms__SWIG_0 ( SEXP self, SEXP ref) {
23072   OpenBabel::OBRotor *arg1 = (OpenBabel::OBRotor *) 0 ; std::vector< int,std::allocator< int > > *arg2 = 0 ; void *argp1 = 0 ;
23073   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
23074   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
23075   if (!SWIG_IsOK(res1)) {
23076     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotor_SetDihedralAtoms" "', argument " "1"" of type '" "OpenBabel::OBRotor *""'");  }
23077    arg1 = reinterpret_cast< OpenBabel::OBRotor * >(argp1);
23078   res2 = SWIG_R_ConvertPtr(ref, &argp2, SWIGTYPE_p_std__vectorT_int_std__allocatorT_int_t_t,  0 ); if (!SWIG_IsOK(res2)) {
23079     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRotor_SetDihedralAtoms" "', argument " "2"" of type '" "std::vector< int,std::allocator< int > > &""'");  }
23080    if (!argp2) {
23081     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRotor_SetDihedralAtoms" "', argument " "2"" of type '" "std::vector< int,std::allocator< int > > &""'"); }
23082    arg2 = reinterpret_cast< std::vector< int,std::allocator< int > > * >(argp2); (arg1)->SetDihedralAtoms(*arg2);
23083   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotor_SetDihedralAtoms__SWIG_1(SEXP self,SEXP ref)23084 SWIGEXPORT SEXP R_swig_OBRotor_SetDihedralAtoms__SWIG_1 ( SEXP self, SEXP ref) {
23085   OpenBabel::OBRotor *arg1 = (OpenBabel::OBRotor *) 0 ; int *arg2 ; void *argp1 = 0 ; int res1 = 0 ;
23086   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23087   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23088     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotor_SetDihedralAtoms" "', argument " "1"" of type '" "OpenBabel::OBRotor *""'");  }
23089    arg1 = reinterpret_cast< OpenBabel::OBRotor * >(argp1); { { int _rswigi; int _rswiglen = LENGTH(ref);
23090       arg2 = static_cast< int * >(calloc(sizeof(int), _rswiglen)); for (_rswigi=0; _rswigi< _rswiglen; _rswigi++) {
23091         arg2[_rswigi] = INTEGER(ref)[_rswigi]; }  }  }  (arg1)->SetDihedralAtoms(arg2); r_ans = R_NilValue; free(arg2);
23092   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotor_SetRotAtoms(SEXP self,SEXP atoms)23093 SWIGEXPORT SEXP R_swig_OBRotor_SetRotAtoms ( SEXP self, SEXP atoms) { OpenBabel::OBRotor *arg1 = (OpenBabel::OBRotor *) 0 ;
23094   std::vector< int,std::allocator< int > > *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
23095   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23096   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23097     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotor_SetRotAtoms" "', argument " "1"" of type '" "OpenBabel::OBRotor *""'");  }
23098    arg1 = reinterpret_cast< OpenBabel::OBRotor * >(argp1);
23099   res2 = SWIG_R_ConvertPtr(atoms, &argp2, SWIGTYPE_p_std__vectorT_int_std__allocatorT_int_t_t,  0 ); if (!SWIG_IsOK(res2)) {
23100     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRotor_SetRotAtoms" "', argument " "2"" of type '" "std::vector< int,std::allocator< int > > &""'");  }
23101    if (!argp2) {
23102     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRotor_SetRotAtoms" "', argument " "2"" of type '" "std::vector< int,std::allocator< int > > &""'"); }
23103    arg2 = reinterpret_cast< std::vector< int,std::allocator< int > > * >(argp2); (arg1)->SetRotAtoms(*arg2); r_ans = R_NilValue;
23104   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotor_SetTorsionValues(SEXP self,SEXP angles)23105 SWIGEXPORT SEXP R_swig_OBRotor_SetTorsionValues ( SEXP self, SEXP angles) {
23106   OpenBabel::OBRotor *arg1 = (OpenBabel::OBRotor *) 0 ; std::vector< double,std::allocator< double > > *arg2 = 0 ;
23107   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
23108   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
23109   if (!SWIG_IsOK(res1)) {
23110     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotor_SetTorsionValues" "', argument " "1"" of type '" "OpenBabel::OBRotor *""'");  }
23111    arg1 = reinterpret_cast< OpenBabel::OBRotor * >(argp1);
23112   res2 = SWIG_R_ConvertPtr(angles, &argp2, SWIGTYPE_p_std__vectorT_double_std__allocatorT_double_t_t,  0 );
23113   if (!SWIG_IsOK(res2)) {
23114     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRotor_SetTorsionValues" "', argument " "2"" of type '" "std::vector< double,std::allocator< double > > &""'");  }
23115    if (!argp2) {
23116     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRotor_SetTorsionValues" "', argument " "2"" of type '" "std::vector< double,std::allocator< double > > &""'"); }
23117    arg2 = reinterpret_cast< std::vector< double,std::allocator< double > > * >(argp2); (arg1)->SetTorsionValues(*arg2);
23118   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotor_SetFixedBonds(SEXP self,SEXP bv)23119 SWIGEXPORT SEXP R_swig_OBRotor_SetFixedBonds ( SEXP self, SEXP bv) { OpenBabel::OBRotor *arg1 = (OpenBabel::OBRotor *) 0 ;
23120   OpenBabel::OBBitVec *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0;
23121   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23122   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23123     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotor_SetFixedBonds" "', argument " "1"" of type '" "OpenBabel::OBRotor *""'");  }
23124    arg1 = reinterpret_cast< OpenBabel::OBRotor * >(argp1);
23125   res2 = SWIG_R_ConvertPtr(bv, &argp2, SWIGTYPE_p_OpenBabel__OBBitVec,  0 ); if (!SWIG_IsOK(res2)) {
23126     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRotor_SetFixedBonds" "', argument " "2"" of type '" "OpenBabel::OBBitVec &""'");  }
23127    if (!argp2) {
23128     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRotor_SetFixedBonds" "', argument " "2"" of type '" "OpenBabel::OBBitVec &""'"); }
23129    arg2 = reinterpret_cast< OpenBabel::OBBitVec * >(argp2); (arg1)->SetFixedBonds(*arg2); r_ans = R_NilValue; vmaxset(r_vmax);
23130   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotor_SetToAngle(SEXP self,SEXP coordinates,SEXP setang)23131 SWIGEXPORT SEXP R_swig_OBRotor_SetToAngle ( SEXP self, SEXP coordinates, SEXP setang) {
23132   OpenBabel::OBRotor *arg1 = (OpenBabel::OBRotor *) 0 ; double *arg2 = (double *) 0 ; double arg3 ; void *argp1 = 0 ;
23133   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23134   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23135     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotor_SetToAngle" "', argument " "1"" of type '" "OpenBabel::OBRotor *""'");  }
23136    arg1 = reinterpret_cast< OpenBabel::OBRotor * >(argp1); { { int _rswigi; int _rswiglen = LENGTH(coordinates);
23137       arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
23138         arg2[_rswigi] = REAL(coordinates)[_rswigi]; }  }  }  arg3 = static_cast< double >(REAL(setang)[0]);
23139   (arg1)->SetToAngle(arg2,arg3); r_ans = R_NilValue; free(arg2); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
23140   return r_ans; }
R_swig_OBRotor_SetRotor__SWIG_0(SEXP self,SEXP coordinates,SEXP s_arg3,SEXP prev)23141 SWIGEXPORT SEXP R_swig_OBRotor_SetRotor__SWIG_0 ( SEXP self, SEXP coordinates, SEXP s_arg3, SEXP prev) {
23142   OpenBabel::OBRotor *arg1 = (OpenBabel::OBRotor *) 0 ; double *arg2 = (double *) 0 ; int arg3 ; int arg4 ; void *argp1 = 0 ;
23143   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23144   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23145     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotor_SetRotor" "', argument " "1"" of type '" "OpenBabel::OBRotor *""'");  }
23146    arg1 = reinterpret_cast< OpenBabel::OBRotor * >(argp1); { { int _rswigi; int _rswiglen = LENGTH(coordinates);
23147       arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
23148         arg2[_rswigi] = REAL(coordinates)[_rswigi]; }  }  }  arg3 = static_cast< int >(INTEGER(s_arg3)[0]);
23149   arg4 = static_cast< int >(INTEGER(prev)[0]); (arg1)->SetRotor(arg2,arg3,arg4); r_ans = R_NilValue; free(arg2);
23150   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotor_SetRotor__SWIG_1(SEXP self,SEXP coordinates,SEXP s_arg3)23151 SWIGEXPORT SEXP R_swig_OBRotor_SetRotor__SWIG_1 ( SEXP self, SEXP coordinates, SEXP s_arg3) {
23152   OpenBabel::OBRotor *arg1 = (OpenBabel::OBRotor *) 0 ; double *arg2 = (double *) 0 ; int arg3 ; void *argp1 = 0 ;
23153   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23154   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23155     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotor_SetRotor" "', argument " "1"" of type '" "OpenBabel::OBRotor *""'");  }
23156    arg1 = reinterpret_cast< OpenBabel::OBRotor * >(argp1); { { int _rswigi; int _rswiglen = LENGTH(coordinates);
23157       arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
23158         arg2[_rswigi] = REAL(coordinates)[_rswigi]; }  }  }  arg3 = static_cast< int >(INTEGER(s_arg3)[0]);
23159   (arg1)->SetRotor(arg2,arg3); r_ans = R_NilValue; free(arg2); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
23160   return r_ans; }
R_swig_OBRotor_Set__SWIG_0(SEXP self,SEXP coordinates,SEXP sine,SEXP cosine,SEXP translation,SEXP invmag)23161 SWIGEXPORT SEXP R_swig_OBRotor_Set__SWIG_0 ( SEXP self, SEXP coordinates, SEXP sine, SEXP cosine, SEXP translation, SEXP invmag)
23162 { OpenBabel::OBRotor *arg1 = (OpenBabel::OBRotor *) 0 ; double *arg2 = (double *) 0 ; double arg3 ; double arg4 ; double arg5 ;
23163   double arg6 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
23164   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
23165   if (!SWIG_IsOK(res1)) {
23166     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotor_Set" "', argument " "1"" of type '" "OpenBabel::OBRotor *""'");  }
23167    arg1 = reinterpret_cast< OpenBabel::OBRotor * >(argp1); { { int _rswigi; int _rswiglen = LENGTH(coordinates);
23168       arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
23169         arg2[_rswigi] = REAL(coordinates)[_rswigi]; }  }  }  arg3 = static_cast< double >(REAL(sine)[0]);
23170   arg4 = static_cast< double >(REAL(cosine)[0]); arg5 = static_cast< double >(REAL(translation)[0]);
23171   arg6 = static_cast< double >(REAL(invmag)[0]); (arg1)->Set(arg2,arg3,arg4,arg5,arg6); r_ans = R_NilValue; free(arg2);
23172   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotor_Precompute(SEXP self,SEXP coordinates)23173 SWIGEXPORT SEXP R_swig_OBRotor_Precompute ( SEXP self, SEXP coordinates) { OpenBabel::OBRotor *arg1 = (OpenBabel::OBRotor *) 0 ;
23174   double *arg2 = (double *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
23175   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
23176   if (!SWIG_IsOK(res1)) {
23177     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotor_Precompute" "', argument " "1"" of type '" "OpenBabel::OBRotor *""'");  }
23178    arg1 = reinterpret_cast< OpenBabel::OBRotor * >(argp1); { { int _rswigi; int _rswiglen = LENGTH(coordinates);
23179       arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
23180         arg2[_rswigi] = REAL(coordinates)[_rswigi]; }  }  }  (arg1)->Precompute(arg2); r_ans = R_NilValue; free(arg2);
23181   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotor_Set__SWIG_1(SEXP self,SEXP coordinates,SEXP idx)23182 SWIGEXPORT SEXP R_swig_OBRotor_Set__SWIG_1 ( SEXP self, SEXP coordinates, SEXP idx) {
23183   OpenBabel::OBRotor *arg1 = (OpenBabel::OBRotor *) 0 ; double *arg2 = (double *) 0 ; int arg3 ; void *argp1 = 0 ;
23184   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23185   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23186     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotor_Set" "', argument " "1"" of type '" "OpenBabel::OBRotor *""'");  }
23187    arg1 = reinterpret_cast< OpenBabel::OBRotor * >(argp1); { { int _rswigi; int _rswiglen = LENGTH(coordinates);
23188       arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
23189         arg2[_rswigi] = REAL(coordinates)[_rswigi]; }  }  }  arg3 = static_cast< int >(INTEGER(idx)[0]); (arg1)->Set(arg2,arg3);
23190   r_ans = R_NilValue; free(arg2); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotor_Precalc(SEXP self,SEXP conformers)23191 SWIGEXPORT SEXP R_swig_OBRotor_Precalc ( SEXP self, SEXP conformers) { OpenBabel::OBRotor *arg1 = (OpenBabel::OBRotor *) 0 ;
23192   std::vector< double *,std::allocator< double * > > *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
23193   int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23194   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23195     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotor_Precalc" "', argument " "1"" of type '" "OpenBabel::OBRotor *""'");  }
23196    arg1 = reinterpret_cast< OpenBabel::OBRotor * >(argp1);
23197   res2 = SWIG_R_ConvertPtr(conformers, &argp2, SWIGTYPE_p_std__vectorT_double_p_std__allocatorT_double_p_t_t,  0 );
23198   if (!SWIG_IsOK(res2)) {
23199     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRotor_Precalc" "', argument " "2"" of type '" "std::vector< double *,std::allocator< double * > > &""'");  }
23200    if (!argp2) {
23201     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRotor_Precalc" "', argument " "2"" of type '" "std::vector< double *,std::allocator< double * > > &""'"); }
23202    arg2 = reinterpret_cast< std::vector< double *,std::allocator< double * > > * >(argp2); (arg1)->Precalc(*arg2);
23203   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotor_Set__SWIG_2(SEXP self,SEXP coordinates,SEXP conformer,SEXP idx)23204 SWIGEXPORT SEXP R_swig_OBRotor_Set__SWIG_2 ( SEXP self, SEXP coordinates, SEXP conformer, SEXP idx) {
23205   OpenBabel::OBRotor *arg1 = (OpenBabel::OBRotor *) 0 ; double *arg2 = (double *) 0 ; int arg3 ; int arg4 ; void *argp1 = 0 ;
23206   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23207   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23208     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotor_Set" "', argument " "1"" of type '" "OpenBabel::OBRotor *""'");  }
23209    arg1 = reinterpret_cast< OpenBabel::OBRotor * >(argp1); { { int _rswigi; int _rswiglen = LENGTH(coordinates);
23210       arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
23211         arg2[_rswigi] = REAL(coordinates)[_rswigi]; }  }  }  arg3 = static_cast< int >(INTEGER(conformer)[0]);
23212   arg4 = static_cast< int >(INTEGER(idx)[0]); (arg1)->Set(arg2,arg3,arg4); r_ans = R_NilValue; free(arg2); vmaxset(r_vmax);
23213   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotor_GetBond(SEXP self)23214 SWIGEXPORT SEXP R_swig_OBRotor_GetBond ( SEXP self) { OpenBabel::OBBond *result = 0 ;
23215   OpenBabel::OBRotor *arg1 = (OpenBabel::OBRotor *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
23216   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23217   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23218     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotor_GetBond" "', argument " "1"" of type '" "OpenBabel::OBRotor *""'");  }
23219    arg1 = reinterpret_cast< OpenBabel::OBRotor * >(argp1); result = (OpenBabel::OBBond *)(arg1)->GetBond();
23220   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
23221   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotor_Size(SEXP self,SEXP s_swig_copy)23222 SWIGEXPORT SEXP R_swig_OBRotor_Size ( SEXP self, SEXP s_swig_copy) { size_t result;
23223   OpenBabel::OBRotor *arg1 = (OpenBabel::OBRotor *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
23224   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23225   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23226     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotor_Size" "', argument " "1"" of type '" "OpenBabel::OBRotor *""'");  }
23227    arg1 = reinterpret_cast< OpenBabel::OBRotor * >(argp1); result = (arg1)->Size();
23228   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotor_GetIdx(SEXP self,SEXP s_swig_copy)23229 SWIGEXPORT SEXP R_swig_OBRotor_GetIdx ( SEXP self, SEXP s_swig_copy) { int result;
23230   OpenBabel::OBRotor *arg1 = (OpenBabel::OBRotor *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
23231   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23232   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23233     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotor_GetIdx" "', argument " "1"" of type '" "OpenBabel::OBRotor const *""'");  }
23234    arg1 = reinterpret_cast< OpenBabel::OBRotor * >(argp1); result = (int)((OpenBabel::OBRotor const *)arg1)->GetIdx();
23235   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotor_GetDihedralAtoms__SWIG_0(SEXP self,SEXP ref)23236 SWIGEXPORT SEXP R_swig_OBRotor_GetDihedralAtoms__SWIG_0 ( SEXP self, SEXP ref) {
23237   OpenBabel::OBRotor *arg1 = (OpenBabel::OBRotor *) 0 ; int *arg2 ; void *argp1 = 0 ; int res1 = 0 ;
23238   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23239   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23240     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotor_GetDihedralAtoms" "', argument " "1"" of type '" "OpenBabel::OBRotor *""'");  }
23241    arg1 = reinterpret_cast< OpenBabel::OBRotor * >(argp1); { { int _rswigi; int _rswiglen = LENGTH(ref);
23242       arg2 = static_cast< int * >(calloc(sizeof(int), _rswiglen)); for (_rswigi=0; _rswigi< _rswiglen; _rswigi++) {
23243         arg2[_rswigi] = INTEGER(ref)[_rswigi]; }  }  }  (arg1)->GetDihedralAtoms(arg2); r_ans = R_NilValue; free(arg2);
23244   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotor_GetDihedralAtoms__SWIG_1(SEXP self,SEXP s_swig_copy)23245 SWIGEXPORT SEXP R_swig_OBRotor_GetDihedralAtoms__SWIG_1 ( SEXP self, SEXP s_swig_copy) {
23246   std::vector< int,std::allocator< int > > *result = 0 ; OpenBabel::OBRotor *arg1 = (OpenBabel::OBRotor *) 0 ; void *argp1 = 0 ;
23247   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23248   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23249     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotor_GetDihedralAtoms" "', argument " "1"" of type '" "OpenBabel::OBRotor *""'");  }
23250    arg1 = reinterpret_cast< OpenBabel::OBRotor * >(argp1);
23251   result = (std::vector< int,std::allocator< int > > *) &(arg1)->GetDihedralAtoms();
23252   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_int_std__allocatorT_int_t_t, R_SWIG_EXTERNAL |  0 );
23253   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotor_GetTorsionValues(SEXP self,SEXP s_swig_copy)23254 SWIGEXPORT SEXP R_swig_OBRotor_GetTorsionValues ( SEXP self, SEXP s_swig_copy) {
23255   std::vector< double,std::allocator< double > > *result = 0 ; OpenBabel::OBRotor *arg1 = (OpenBabel::OBRotor *) 0 ;
23256   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23257   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23258     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotor_GetTorsionValues" "', argument " "1"" of type '" "OpenBabel::OBRotor const *""'");  }
23259    arg1 = reinterpret_cast< OpenBabel::OBRotor * >(argp1);
23260   result = (std::vector< double,std::allocator< double > > *) &((OpenBabel::OBRotor const *)arg1)->GetTorsionValues();
23261   r_ans = swig::from(static_cast< std::vector<double,std::allocator< double > > >(*result)); vmaxset(r_vmax);
23262   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotor_GetFixedBonds(SEXP self,SEXP s_swig_copy)23263 SWIGEXPORT SEXP R_swig_OBRotor_GetFixedBonds ( SEXP self, SEXP s_swig_copy) { OpenBabel::OBBitVec *result = 0 ;
23264   OpenBabel::OBRotor *arg1 = (OpenBabel::OBRotor *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
23265   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23266   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23267     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotor_GetFixedBonds" "', argument " "1"" of type '" "OpenBabel::OBRotor *""'");  }
23268    arg1 = reinterpret_cast< OpenBabel::OBRotor * >(argp1); result = (OpenBabel::OBBitVec *) &(arg1)->GetFixedBonds();
23269   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBitVec, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
23270   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotor_CalcTorsion(SEXP self,SEXP coordinates,SEXP s_swig_copy)23271 SWIGEXPORT SEXP R_swig_OBRotor_CalcTorsion ( SEXP self, SEXP coordinates, SEXP s_swig_copy) { double result;
23272   OpenBabel::OBRotor *arg1 = (OpenBabel::OBRotor *) 0 ; double *arg2 = (double *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
23273   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23274   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23275     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotor_CalcTorsion" "', argument " "1"" of type '" "OpenBabel::OBRotor *""'");  }
23276    arg1 = reinterpret_cast< OpenBabel::OBRotor * >(argp1); { { int _rswigi; int _rswiglen = LENGTH(coordinates);
23277       arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
23278         arg2[_rswigi] = REAL(coordinates)[_rswigi]; }  }  }  result = (double)(arg1)->CalcTorsion(arg2);
23279   r_ans = SWIG_From_double(static_cast< double >(result)); free(arg2); vmaxset(r_vmax);
23280   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotor_CalcBondLength(SEXP self,SEXP coordinates,SEXP s_swig_copy)23281 SWIGEXPORT SEXP R_swig_OBRotor_CalcBondLength ( SEXP self, SEXP coordinates, SEXP s_swig_copy) { double result;
23282   OpenBabel::OBRotor *arg1 = (OpenBabel::OBRotor *) 0 ; double *arg2 = (double *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
23283   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23284   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23285     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotor_CalcBondLength" "', argument " "1"" of type '" "OpenBabel::OBRotor *""'");  }
23286    arg1 = reinterpret_cast< OpenBabel::OBRotor * >(argp1); { { int _rswigi; int _rswiglen = LENGTH(coordinates);
23287       arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
23288         arg2[_rswigi] = REAL(coordinates)[_rswigi]; }  }  }  result = (double)(arg1)->CalcBondLength(arg2);
23289   r_ans = SWIG_From_double(static_cast< double >(result)); free(arg2); vmaxset(r_vmax);
23290   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotor_BeginTorIncrement(SEXP self,SEXP s_swig_copy)23291 SWIGEXPORT SEXP R_swig_OBRotor_BeginTorIncrement ( SEXP self, SEXP s_swig_copy) {
23292   SwigValueWrapper< std::vector< double,std::allocator< double > >::iterator > result;
23293   OpenBabel::OBRotor *arg1 = (OpenBabel::OBRotor *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
23294   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23295   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23296     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotor_BeginTorIncrement" "', argument " "1"" of type '" "OpenBabel::OBRotor *""'");  }
23297    arg1 = reinterpret_cast< OpenBabel::OBRotor * >(argp1); result = (arg1)->BeginTorIncrement();
23298   r_ans = SWIG_R_NewPointerObj((new std::vector< double,std::allocator< double > >::iterator(static_cast< const std::vector< double,std::allocator< double > >::iterator& >(result))), SWIGTYPE_p_std__vectorT_double_std__allocatorT_double_t_t__iterator, SWIG_POINTER_OWN |  0 );
23299   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotor_EndTorIncrement(SEXP self,SEXP s_swig_copy)23300 SWIGEXPORT SEXP R_swig_OBRotor_EndTorIncrement ( SEXP self, SEXP s_swig_copy) {
23301   SwigValueWrapper< std::vector< double,std::allocator< double > >::iterator > result;
23302   OpenBabel::OBRotor *arg1 = (OpenBabel::OBRotor *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
23303   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23304   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23305     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotor_EndTorIncrement" "', argument " "1"" of type '" "OpenBabel::OBRotor *""'");  }
23306    arg1 = reinterpret_cast< OpenBabel::OBRotor * >(argp1); result = (arg1)->EndTorIncrement();
23307   r_ans = SWIG_R_NewPointerObj((new std::vector< double,std::allocator< double > >::iterator(static_cast< const std::vector< double,std::allocator< double > >::iterator& >(result))), SWIGTYPE_p_std__vectorT_double_std__allocatorT_double_t_t__iterator, SWIG_POINTER_OWN |  0 );
23308   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotor_RemoveSymTorsionValues(SEXP self,SEXP s_arg2)23309 SWIGEXPORT SEXP R_swig_OBRotor_RemoveSymTorsionValues ( SEXP self, SEXP s_arg2) {
23310   OpenBabel::OBRotor *arg1 = (OpenBabel::OBRotor *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
23311   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23312   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23313     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotor_RemoveSymTorsionValues" "', argument " "1"" of type '" "OpenBabel::OBRotor *""'");  }
23314    arg1 = reinterpret_cast< OpenBabel::OBRotor * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
23315   (arg1)->RemoveSymTorsionValues(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
23316   return r_ans; }
R_swig_OBRotor_SetDelta(SEXP self,SEXP d)23317 SWIGEXPORT SEXP R_swig_OBRotor_SetDelta ( SEXP self, SEXP d) { OpenBabel::OBRotor *arg1 = (OpenBabel::OBRotor *) 0 ;
23318   double arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
23319   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
23320   if (!SWIG_IsOK(res1)) {
23321     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotor_SetDelta" "', argument " "1"" of type '" "OpenBabel::OBRotor *""'");  }
23322    arg1 = reinterpret_cast< OpenBabel::OBRotor * >(argp1); arg2 = static_cast< double >(REAL(d)[0]); (arg1)->SetDelta(arg2);
23323   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotor_GetDelta(SEXP self,SEXP s_swig_copy)23324 SWIGEXPORT SEXP R_swig_OBRotor_GetDelta ( SEXP self, SEXP s_swig_copy) { double result;
23325   OpenBabel::OBRotor *arg1 = (OpenBabel::OBRotor *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
23326   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23327   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23328     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotor_GetDelta" "', argument " "1"" of type '" "OpenBabel::OBRotor *""'");  }
23329    arg1 = reinterpret_cast< OpenBabel::OBRotor * >(argp1); result = (double)(arg1)->GetDelta();
23330   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
23331   return r_ans; }
R_swig_OBRotor_GetFixedAtoms(SEXP self,SEXP s_swig_copy)23332 SWIGEXPORT SEXP R_swig_OBRotor_GetFixedAtoms ( SEXP self, SEXP s_swig_copy) { OpenBabel::OBBitVec *result = 0 ;
23333   OpenBabel::OBRotor *arg1 = (OpenBabel::OBRotor *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
23334   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23335   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23336     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotor_GetFixedAtoms" "', argument " "1"" of type '" "OpenBabel::OBRotor *""'");  }
23337    arg1 = reinterpret_cast< OpenBabel::OBRotor * >(argp1); result = (OpenBabel::OBBitVec *) &(arg1)->GetFixedAtoms();
23338   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBitVec, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
23339   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotor_SetFixedAtoms(SEXP self,SEXP bv)23340 SWIGEXPORT SEXP R_swig_OBRotor_SetFixedAtoms ( SEXP self, SEXP bv) { OpenBabel::OBRotor *arg1 = (OpenBabel::OBRotor *) 0 ;
23341   OpenBabel::OBBitVec *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0;
23342   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23343   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23344     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotor_SetFixedAtoms" "', argument " "1"" of type '" "OpenBabel::OBRotor *""'");  }
23345    arg1 = reinterpret_cast< OpenBabel::OBRotor * >(argp1);
23346   res2 = SWIG_R_ConvertPtr(bv, &argp2, SWIGTYPE_p_OpenBabel__OBBitVec,  0 ); if (!SWIG_IsOK(res2)) {
23347     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRotor_SetFixedAtoms" "', argument " "2"" of type '" "OpenBabel::OBBitVec &""'");  }
23348    if (!argp2) {
23349     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRotor_SetFixedAtoms" "', argument " "2"" of type '" "OpenBabel::OBBitVec &""'"); }
23350    arg2 = reinterpret_cast< OpenBabel::OBBitVec * >(argp2); (arg1)->SetFixedAtoms(*arg2); r_ans = R_NilValue; vmaxset(r_vmax);
23351   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotor_GetEvalAtoms(SEXP self,SEXP s_swig_copy)23352 SWIGEXPORT SEXP R_swig_OBRotor_GetEvalAtoms ( SEXP self, SEXP s_swig_copy) { OpenBabel::OBBitVec *result = 0 ;
23353   OpenBabel::OBRotor *arg1 = (OpenBabel::OBRotor *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
23354   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23355   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23356     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotor_GetEvalAtoms" "', argument " "1"" of type '" "OpenBabel::OBRotor *""'");  }
23357    arg1 = reinterpret_cast< OpenBabel::OBRotor * >(argp1); result = (OpenBabel::OBBitVec *) &(arg1)->GetEvalAtoms();
23358   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBitVec, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
23359   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotor_SetEvalAtoms(SEXP self,SEXP bv)23360 SWIGEXPORT SEXP R_swig_OBRotor_SetEvalAtoms ( SEXP self, SEXP bv) { OpenBabel::OBRotor *arg1 = (OpenBabel::OBRotor *) 0 ;
23361   OpenBabel::OBBitVec *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0;
23362   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23363   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23364     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotor_SetEvalAtoms" "', argument " "1"" of type '" "OpenBabel::OBRotor *""'");  }
23365    arg1 = reinterpret_cast< OpenBabel::OBRotor * >(argp1);
23366   res2 = SWIG_R_ConvertPtr(bv, &argp2, SWIGTYPE_p_OpenBabel__OBBitVec,  0 ); if (!SWIG_IsOK(res2)) {
23367     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRotor_SetEvalAtoms" "', argument " "2"" of type '" "OpenBabel::OBBitVec &""'");  }
23368    if (!argp2) {
23369     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRotor_SetEvalAtoms" "', argument " "2"" of type '" "OpenBabel::OBBitVec &""'"); }
23370    arg2 = reinterpret_cast< OpenBabel::OBBitVec * >(argp2); (arg1)->SetEvalAtoms(*arg2); r_ans = R_NilValue; vmaxset(r_vmax);
23371   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotor_GetRotAtoms(SEXP self)23372 SWIGEXPORT SEXP R_swig_OBRotor_GetRotAtoms ( SEXP self) { void *result = 0 ;
23373   OpenBabel::OBRotor *arg1 = (OpenBabel::OBRotor *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
23374   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23375   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23376     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotor_GetRotAtoms" "', argument " "1"" of type '" "OpenBabel::OBRotor *""'");  }
23377    arg1 = reinterpret_cast< OpenBabel::OBRotor * >(argp1); result = (void *)(arg1)->GetRotAtoms();
23378   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_void, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
23379   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotor_GetResolution(SEXP self,SEXP s_swig_copy)23380 SWIGEXPORT SEXP R_swig_OBRotor_GetResolution ( SEXP self, SEXP s_swig_copy) {
23381   std::vector< double,std::allocator< double > > *result = 0 ; OpenBabel::OBRotor *arg1 = (OpenBabel::OBRotor *) 0 ;
23382   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23383   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23384     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotor_GetResolution" "', argument " "1"" of type '" "OpenBabel::OBRotor *""'");  }
23385    arg1 = reinterpret_cast< OpenBabel::OBRotor * >(argp1);
23386   result = (std::vector< double,std::allocator< double > > *) &(arg1)->GetResolution();
23387   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_double_std__allocatorT_double_t_t, R_SWIG_EXTERNAL |  0 );
23388   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotor_SetNumCoords(SEXP self,SEXP nc)23389 SWIGEXPORT SEXP R_swig_OBRotor_SetNumCoords ( SEXP self, SEXP nc) { OpenBabel::OBRotor *arg1 = (OpenBabel::OBRotor *) 0 ;
23390   int arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
23391   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
23392   if (!SWIG_IsOK(res1)) {
23393     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotor_SetNumCoords" "', argument " "1"" of type '" "OpenBabel::OBRotor *""'");  }
23394    arg1 = reinterpret_cast< OpenBabel::OBRotor * >(argp1); arg2 = static_cast< int >(INTEGER(nc)[0]);
23395   (arg1)->SetNumCoords(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBRotorList()23396 SWIGEXPORT SEXP R_swig_new_OBRotorList ( ) { OpenBabel::OBRotorList *result = 0 ; unsigned int r_nprotect = 0;
23397   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBRotorList *)new OpenBabel::OBRotorList();
23398   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBRotorList, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
23399   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBRotorList(SEXP self)23400 SWIGEXPORT SEXP R_swig_delete_OBRotorList ( SEXP self) { OpenBabel::OBRotorList *arg1 = (OpenBabel::OBRotorList *) 0 ;
23401   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23402   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotorList, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
23403     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBRotorList" "', argument " "1"" of type '" "OpenBabel::OBRotorList *""'");  }
23404    arg1 = reinterpret_cast< OpenBabel::OBRotorList * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
23405   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBRotorList_Clear(SEXP self)23406 SWIGEXPORT SEXP R_swig_OBRotorList_Clear ( SEXP self) { OpenBabel::OBRotorList *arg1 = (OpenBabel::OBRotorList *) 0 ;
23407   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23408   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotorList, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23409     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotorList_Clear" "', argument " "1"" of type '" "OpenBabel::OBRotorList *""'");  }
23410    arg1 = reinterpret_cast< OpenBabel::OBRotorList * >(argp1); (arg1)->Clear(); r_ans = R_NilValue; vmaxset(r_vmax);
23411   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotorList_Size(SEXP self,SEXP s_swig_copy)23412 SWIGEXPORT SEXP R_swig_OBRotorList_Size ( SEXP self, SEXP s_swig_copy) { size_t result;
23413   OpenBabel::OBRotorList *arg1 = (OpenBabel::OBRotorList *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
23414   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23415   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotorList, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23416     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotorList_Size" "', argument " "1"" of type '" "OpenBabel::OBRotorList *""'");  }
23417    arg1 = reinterpret_cast< OpenBabel::OBRotorList * >(argp1); result = (arg1)->Size();
23418   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotorList_IsFixedBond(SEXP self,SEXP s_arg2,SEXP s_swig_copy)23419 SWIGEXPORT SEXP R_swig_OBRotorList_IsFixedBond ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
23420   OpenBabel::OBRotorList *arg1 = (OpenBabel::OBRotorList *) 0 ; OpenBabel::OBBond *arg2 = (OpenBabel::OBBond *) 0 ;
23421   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
23422   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotorList, 0 |  0 );
23423   if (!SWIG_IsOK(res1)) {
23424     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotorList_IsFixedBond" "', argument " "1"" of type '" "OpenBabel::OBRotorList *""'");  }
23425    arg1 = reinterpret_cast< OpenBabel::OBRotorList * >(argp1);
23426   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res2)) {
23427     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRotorList_IsFixedBond" "', argument " "2"" of type '" "OpenBabel::OBBond *""'");  }
23428    arg2 = reinterpret_cast< OpenBabel::OBBond * >(argp2); result = (bool)(arg1)->IsFixedBond(arg2);
23429   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotorList_HasFixedBonds(SEXP self,SEXP s_swig_copy)23430 SWIGEXPORT SEXP R_swig_OBRotorList_HasFixedBonds ( SEXP self, SEXP s_swig_copy) { bool result;
23431   OpenBabel::OBRotorList *arg1 = (OpenBabel::OBRotorList *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
23432   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23433   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotorList, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23434     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotorList_HasFixedBonds" "', argument " "1"" of type '" "OpenBabel::OBRotorList *""'");  }
23435    arg1 = reinterpret_cast< OpenBabel::OBRotorList * >(argp1); result = (bool)(arg1)->HasFixedBonds();
23436   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotorList_RemoveSymVals(SEXP self,SEXP s_arg2)23437 SWIGEXPORT SEXP R_swig_OBRotorList_RemoveSymVals ( SEXP self, SEXP s_arg2) {
23438   OpenBabel::OBRotorList *arg1 = (OpenBabel::OBRotorList *) 0 ; OpenBabel::OBMol *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
23439   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23440   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotorList, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23441     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotorList_RemoveSymVals" "', argument " "1"" of type '" "OpenBabel::OBRotorList *""'");  }
23442    arg1 = reinterpret_cast< OpenBabel::OBRotorList * >(argp1);
23443   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
23444     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRotorList_RemoveSymVals" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
23445    if (!argp2) {
23446     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRotorList_RemoveSymVals" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
23447    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); (arg1)->RemoveSymVals(*arg2); r_ans = R_NilValue; vmaxset(r_vmax);
23448   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotorList_Setup(SEXP self,SEXP mol,SEXP s_swig_copy)23449 SWIGEXPORT SEXP R_swig_OBRotorList_Setup ( SEXP self, SEXP mol, SEXP s_swig_copy) { bool result;
23450   OpenBabel::OBRotorList *arg1 = (OpenBabel::OBRotorList *) 0 ; OpenBabel::OBMol *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
23451   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23452   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotorList, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23453     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotorList_Setup" "', argument " "1"" of type '" "OpenBabel::OBRotorList *""'");  }
23454    arg1 = reinterpret_cast< OpenBabel::OBRotorList * >(argp1);
23455   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
23456     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRotorList_Setup" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
23457    if (!argp2) {
23458     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRotorList_Setup" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
23459    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); result = (bool)(arg1)->Setup(*arg2); r_ans = Rf_ScalarLogical(result);
23460   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotorList_SetFixedBonds(SEXP self,SEXP fix)23461 SWIGEXPORT SEXP R_swig_OBRotorList_SetFixedBonds ( SEXP self, SEXP fix) {
23462   OpenBabel::OBRotorList *arg1 = (OpenBabel::OBRotorList *) 0 ; OpenBabel::OBBitVec *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
23463   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23464   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotorList, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23465     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotorList_SetFixedBonds" "', argument " "1"" of type '" "OpenBabel::OBRotorList *""'");  }
23466    arg1 = reinterpret_cast< OpenBabel::OBRotorList * >(argp1);
23467   res2 = SWIG_R_ConvertPtr(fix, &argp2, SWIGTYPE_p_OpenBabel__OBBitVec,  0 ); if (!SWIG_IsOK(res2)) {
23468     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRotorList_SetFixedBonds" "', argument " "2"" of type '" "OpenBabel::OBBitVec &""'");  }
23469    if (!argp2) {
23470     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRotorList_SetFixedBonds" "', argument " "2"" of type '" "OpenBabel::OBBitVec &""'"); }
23471    arg2 = reinterpret_cast< OpenBabel::OBBitVec * >(argp2); (arg1)->SetFixedBonds(*arg2); r_ans = R_NilValue; vmaxset(r_vmax);
23472   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotorList_Init(SEXP self,SEXP fname)23473 SWIGEXPORT SEXP R_swig_OBRotorList_Init ( SEXP self, SEXP fname) { OpenBabel::OBRotorList *arg1 = (OpenBabel::OBRotorList *) 0 ;
23474   std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0;
23475   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23476   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotorList, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23477     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotorList_Init" "', argument " "1"" of type '" "OpenBabel::OBRotorList *""'");  }
23478    arg1 = reinterpret_cast< OpenBabel::OBRotorList * >(argp1);
23479   res2 = SWIG_R_ConvertPtr(fname, &argp2, SWIGTYPE_p_std__string,  0 ); if (!SWIG_IsOK(res2)) {
23480     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRotorList_Init" "', argument " "2"" of type '" "std::string &""'");  }
23481    if (!argp2) {
23482     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRotorList_Init" "', argument " "2"" of type '" "std::string &""'"); }
23483    arg2 = reinterpret_cast< std::string * >(argp2); (arg1)->Init(*arg2); r_ans = R_NilValue; vmaxset(r_vmax);
23484   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotorList_SetQuiet(SEXP self)23485 SWIGEXPORT SEXP R_swig_OBRotorList_SetQuiet ( SEXP self) { OpenBabel::OBRotorList *arg1 = (OpenBabel::OBRotorList *) 0 ;
23486   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23487   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotorList, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23488     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotorList_SetQuiet" "', argument " "1"" of type '" "OpenBabel::OBRotorList *""'");  }
23489    arg1 = reinterpret_cast< OpenBabel::OBRotorList * >(argp1); (arg1)->SetQuiet(); r_ans = R_NilValue; vmaxset(r_vmax);
23490   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotorList_SetRotAtoms(SEXP self,SEXP s_arg2,SEXP s_swig_copy)23491 SWIGEXPORT SEXP R_swig_OBRotorList_SetRotAtoms ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
23492   OpenBabel::OBRotorList *arg1 = (OpenBabel::OBRotorList *) 0 ; OpenBabel::OBMol *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
23493   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23494   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotorList, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23495     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotorList_SetRotAtoms" "', argument " "1"" of type '" "OpenBabel::OBRotorList *""'");  }
23496    arg1 = reinterpret_cast< OpenBabel::OBRotorList * >(argp1);
23497   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
23498     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRotorList_SetRotAtoms" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
23499    if (!argp2) {
23500     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRotorList_SetRotAtoms" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
23501    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); result = (bool)(arg1)->SetRotAtoms(*arg2);
23502   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotorList_FindRotors(SEXP self,SEXP mol,SEXP s_swig_copy)23503 SWIGEXPORT SEXP R_swig_OBRotorList_FindRotors ( SEXP self, SEXP mol, SEXP s_swig_copy) { bool result;
23504   OpenBabel::OBRotorList *arg1 = (OpenBabel::OBRotorList *) 0 ; OpenBabel::OBMol *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
23505   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23506   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotorList, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23507     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotorList_FindRotors" "', argument " "1"" of type '" "OpenBabel::OBRotorList *""'");  }
23508    arg1 = reinterpret_cast< OpenBabel::OBRotorList * >(argp1);
23509   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
23510     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRotorList_FindRotors" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
23511    if (!argp2) {
23512     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRotorList_FindRotors" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
23513    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); result = (bool)(arg1)->FindRotors(*arg2);
23514   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotorList_SetEvalAtoms(SEXP self,SEXP s_arg2,SEXP s_swig_copy)23515 SWIGEXPORT SEXP R_swig_OBRotorList_SetEvalAtoms ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
23516   OpenBabel::OBRotorList *arg1 = (OpenBabel::OBRotorList *) 0 ; OpenBabel::OBMol *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
23517   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23518   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotorList, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23519     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotorList_SetEvalAtoms" "', argument " "1"" of type '" "OpenBabel::OBRotorList *""'");  }
23520    arg1 = reinterpret_cast< OpenBabel::OBRotorList * >(argp1);
23521   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
23522     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRotorList_SetEvalAtoms" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
23523    if (!argp2) {
23524     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRotorList_SetEvalAtoms" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
23525    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); result = (bool)(arg1)->SetEvalAtoms(*arg2);
23526   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotorList_AssignTorVals(SEXP self,SEXP s_arg2,SEXP s_swig_copy)23527 SWIGEXPORT SEXP R_swig_OBRotorList_AssignTorVals ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
23528   OpenBabel::OBRotorList *arg1 = (OpenBabel::OBRotorList *) 0 ; OpenBabel::OBMol *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
23529   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23530   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotorList, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23531     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotorList_AssignTorVals" "', argument " "1"" of type '" "OpenBabel::OBRotorList *""'");  }
23532    arg1 = reinterpret_cast< OpenBabel::OBRotorList * >(argp1);
23533   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
23534     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRotorList_AssignTorVals" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
23535    if (!argp2) {
23536     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRotorList_AssignTorVals" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
23537    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); result = (bool)(arg1)->AssignTorVals(*arg2);
23538   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotorList_BeginRotor(SEXP self,SEXP i)23539 SWIGEXPORT SEXP R_swig_OBRotorList_BeginRotor ( SEXP self, SEXP i) { OpenBabel::OBRotor *result = 0 ;
23540   OpenBabel::OBRotorList *arg1 = (OpenBabel::OBRotorList *) 0 ; OpenBabel::OBRotorIterator *arg2 = 0 ; void *argp1 = 0 ;
23541   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
23542   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotorList, 0 |  0 );
23543   if (!SWIG_IsOK(res1)) {
23544     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotorList_BeginRotor" "', argument " "1"" of type '" "OpenBabel::OBRotorList *""'");  }
23545    arg1 = reinterpret_cast< OpenBabel::OBRotorList * >(argp1);
23546   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBRotor_p_std__allocatorT_OpenBabel__OBRotor_p_t_t__iterator,  0 );
23547   if (!SWIG_IsOK(res2)) {
23548     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRotorList_BeginRotor" "', argument " "2"" of type '" "OpenBabel::OBRotorIterator &""'");  }
23549    if (!argp2) {
23550     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRotorList_BeginRotor" "', argument " "2"" of type '" "OpenBabel::OBRotorIterator &""'"); }
23551    arg2 = reinterpret_cast< OpenBabel::OBRotorIterator * >(argp2); result = (OpenBabel::OBRotor *)(arg1)->BeginRotor(*arg2);
23552   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBRotor, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
23553   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotorList_NextRotor(SEXP self,SEXP i)23554 SWIGEXPORT SEXP R_swig_OBRotorList_NextRotor ( SEXP self, SEXP i) { OpenBabel::OBRotor *result = 0 ;
23555   OpenBabel::OBRotorList *arg1 = (OpenBabel::OBRotorList *) 0 ; OpenBabel::OBRotorIterator *arg2 = 0 ; void *argp1 = 0 ;
23556   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
23557   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotorList, 0 |  0 );
23558   if (!SWIG_IsOK(res1)) {
23559     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotorList_NextRotor" "', argument " "1"" of type '" "OpenBabel::OBRotorList *""'");  }
23560    arg1 = reinterpret_cast< OpenBabel::OBRotorList * >(argp1);
23561   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBRotor_p_std__allocatorT_OpenBabel__OBRotor_p_t_t__iterator,  0 );
23562   if (!SWIG_IsOK(res2)) {
23563     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRotorList_NextRotor" "', argument " "2"" of type '" "OpenBabel::OBRotorIterator &""'");  }
23564    if (!argp2) {
23565     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRotorList_NextRotor" "', argument " "2"" of type '" "OpenBabel::OBRotorIterator &""'"); }
23566    arg2 = reinterpret_cast< OpenBabel::OBRotorIterator * >(argp2); result = (OpenBabel::OBRotor *)(arg1)->NextRotor(*arg2);
23567   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBRotor, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
23568   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotorList_BeginRotors(SEXP self,SEXP s_swig_copy)23569 SWIGEXPORT SEXP R_swig_OBRotorList_BeginRotors ( SEXP self, SEXP s_swig_copy) {
23570   SwigValueWrapper< std::vector< OpenBabel::OBRotor *,std::allocator< OpenBabel::OBRotor * > >::iterator > result;
23571   OpenBabel::OBRotorList *arg1 = (OpenBabel::OBRotorList *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
23572   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23573   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotorList, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23574     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotorList_BeginRotors" "', argument " "1"" of type '" "OpenBabel::OBRotorList *""'");  }
23575    arg1 = reinterpret_cast< OpenBabel::OBRotorList * >(argp1); result = (arg1)->BeginRotors();
23576   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBRotorIterator(static_cast< const OpenBabel::OBRotorIterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBRotor_p_std__allocatorT_OpenBabel__OBRotor_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
23577   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotorList_EndRotors(SEXP self,SEXP s_swig_copy)23578 SWIGEXPORT SEXP R_swig_OBRotorList_EndRotors ( SEXP self, SEXP s_swig_copy) {
23579   SwigValueWrapper< std::vector< OpenBabel::OBRotor *,std::allocator< OpenBabel::OBRotor * > >::iterator > result;
23580   OpenBabel::OBRotorList *arg1 = (OpenBabel::OBRotorList *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
23581   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23582   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotorList, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23583     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotorList_EndRotors" "', argument " "1"" of type '" "OpenBabel::OBRotorList *""'");  }
23584    arg1 = reinterpret_cast< OpenBabel::OBRotorList * >(argp1); result = (arg1)->EndRotors();
23585   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBRotorIterator(static_cast< const OpenBabel::OBRotorIterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBRotor_p_std__allocatorT_OpenBabel__OBRotor_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
23586   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotorList_IdentifyEvalAtoms(SEXP self,SEXP mol,SEXP s_swig_copy)23587 SWIGEXPORT SEXP R_swig_OBRotorList_IdentifyEvalAtoms ( SEXP self, SEXP mol, SEXP s_swig_copy) { bool result;
23588   OpenBabel::OBRotorList *arg1 = (OpenBabel::OBRotorList *) 0 ; OpenBabel::OBMol *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
23589   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23590   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotorList, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23591     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotorList_IdentifyEvalAtoms" "', argument " "1"" of type '" "OpenBabel::OBRotorList *""'");  }
23592    arg1 = reinterpret_cast< OpenBabel::OBRotorList * >(argp1);
23593   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
23594     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRotorList_IdentifyEvalAtoms" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
23595    if (!argp2) {
23596     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRotorList_IdentifyEvalAtoms" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
23597    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); result = (bool)(arg1)->IdentifyEvalAtoms(*arg2);
23598   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotorList_SetFixAtoms(SEXP self,SEXP fix)23599 SWIGEXPORT SEXP R_swig_OBRotorList_SetFixAtoms ( SEXP self, SEXP fix) {
23600   OpenBabel::OBRotorList *arg1 = (OpenBabel::OBRotorList *) 0 ; OpenBabel::OBBitVec *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
23601   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23602   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotorList, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23603     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotorList_SetFixAtoms" "', argument " "1"" of type '" "OpenBabel::OBRotorList *""'");  }
23604    arg1 = reinterpret_cast< OpenBabel::OBRotorList * >(argp1);
23605   res2 = SWIG_R_ConvertPtr(fix, &argp2, SWIGTYPE_p_OpenBabel__OBBitVec,  0 ); if (!SWIG_IsOK(res2)) {
23606     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRotorList_SetFixAtoms" "', argument " "2"" of type '" "OpenBabel::OBBitVec &""'");  }
23607    if (!argp2) {
23608     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRotorList_SetFixAtoms" "', argument " "2"" of type '" "OpenBabel::OBBitVec &""'"); }
23609    arg2 = reinterpret_cast< OpenBabel::OBBitVec * >(argp2); (arg1)->SetFixAtoms(*arg2); r_ans = R_NilValue; vmaxset(r_vmax);
23610   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotorList_HasFixedAtoms(SEXP self,SEXP s_swig_copy)23611 SWIGEXPORT SEXP R_swig_OBRotorList_HasFixedAtoms ( SEXP self, SEXP s_swig_copy) { bool result;
23612   OpenBabel::OBRotorList *arg1 = (OpenBabel::OBRotorList *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
23613   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23614   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotorList, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23615     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotorList_HasFixedAtoms" "', argument " "1"" of type '" "OpenBabel::OBRotorList *""'");  }
23616    arg1 = reinterpret_cast< OpenBabel::OBRotorList * >(argp1); result = (bool)(arg1)->HasFixedAtoms();
23617   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotorList_IgnoreSymmetryRemoval(SEXP self)23618 SWIGEXPORT SEXP R_swig_OBRotorList_IgnoreSymmetryRemoval ( SEXP self) {
23619   OpenBabel::OBRotorList *arg1 = (OpenBabel::OBRotorList *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
23620   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23621   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotorList, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23622     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotorList_IgnoreSymmetryRemoval" "', argument " "1"" of type '" "OpenBabel::OBRotorList *""'");  }
23623    arg1 = reinterpret_cast< OpenBabel::OBRotorList * >(argp1); (arg1)->IgnoreSymmetryRemoval(); r_ans = R_NilValue;
23624   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotorList_SetRotAtomsByFix(SEXP self,SEXP s_arg2)23625 SWIGEXPORT SEXP R_swig_OBRotorList_SetRotAtomsByFix ( SEXP self, SEXP s_arg2) {
23626   OpenBabel::OBRotorList *arg1 = (OpenBabel::OBRotorList *) 0 ; OpenBabel::OBMol *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
23627   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23628   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotorList, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23629     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotorList_SetRotAtomsByFix" "', argument " "1"" of type '" "OpenBabel::OBRotorList *""'");  }
23630    arg1 = reinterpret_cast< OpenBabel::OBRotorList * >(argp1);
23631   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
23632     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRotorList_SetRotAtomsByFix" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
23633    if (!argp2) {
23634     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRotorList_SetRotAtomsByFix" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
23635    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); (arg1)->SetRotAtomsByFix(*arg2); r_ans = R_NilValue; vmaxset(r_vmax);
23636   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_rotor_digit__SWIG_0(SEXP rs)23637 SWIGEXPORT SEXP R_swig_new_rotor_digit__SWIG_0 ( SEXP rs) { OpenBabel::rotor_digit *result = 0 ; unsigned int arg1 ; int val1 ;
23638   int ecode1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23639   ecode1 = SWIG_AsVal_int(rs, &val1); if (!SWIG_IsOK(ecode1)) {
23640     SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "new_rotor_digit" "', argument " "1"" of type '" "unsigned int""'"); }
23641     arg1 = static_cast< unsigned int >(val1); result = (OpenBabel::rotor_digit *)new OpenBabel::rotor_digit(arg1);
23642   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__rotor_digit, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
23643   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_rotor_digit__SWIG_1()23644 SWIGEXPORT SEXP R_swig_new_rotor_digit__SWIG_1 ( ) { OpenBabel::rotor_digit *result = 0 ; unsigned int r_nprotect = 0;
23645   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::rotor_digit *)new OpenBabel::rotor_digit();
23646   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__rotor_digit, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
23647   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_rotor_digit_set_size(SEXP self,SEXP rs)23648 SWIGEXPORT SEXP R_swig_rotor_digit_set_size ( SEXP self, SEXP rs) {
23649   OpenBabel::rotor_digit *arg1 = (OpenBabel::rotor_digit *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ;
23650   int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23651   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__rotor_digit, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23652     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "rotor_digit_set_size" "', argument " "1"" of type '" "OpenBabel::rotor_digit *""'");  }
23653    arg1 = reinterpret_cast< OpenBabel::rotor_digit * >(argp1); ecode2 = SWIG_AsVal_int(rs, &val2); if (!SWIG_IsOK(ecode2)) {
23654     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "rotor_digit_set_size" "', argument " "2"" of type '" "unsigned int""'"); }
23655     arg2 = static_cast< unsigned int >(val2); (arg1)->set_size(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
23656   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_rotor_digit_set_state(SEXP self,SEXP st)23657 SWIGEXPORT SEXP R_swig_rotor_digit_set_state ( SEXP self, SEXP st) {
23658   OpenBabel::rotor_digit *arg1 = (OpenBabel::rotor_digit *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
23659   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23660   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__rotor_digit, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23661     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "rotor_digit_set_state" "', argument " "1"" of type '" "OpenBabel::rotor_digit *""'");  }
23662    arg1 = reinterpret_cast< OpenBabel::rotor_digit * >(argp1); arg2 = static_cast< int >(INTEGER(st)[0]);
23663   (arg1)->set_state(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_rotor_digit_get_state(SEXP self,SEXP s_swig_copy)23664 SWIGEXPORT SEXP R_swig_rotor_digit_get_state ( SEXP self, SEXP s_swig_copy) { int result;
23665   OpenBabel::rotor_digit *arg1 = (OpenBabel::rotor_digit *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
23666   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23667   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__rotor_digit, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23668     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "rotor_digit_get_state" "', argument " "1"" of type '" "OpenBabel::rotor_digit *""'");  }
23669    arg1 = reinterpret_cast< OpenBabel::rotor_digit * >(argp1); result = (int)(arg1)->get_state();
23670   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_rotor_digit_size(SEXP self,SEXP s_swig_copy)23671 SWIGEXPORT SEXP R_swig_rotor_digit_size ( SEXP self, SEXP s_swig_copy) { unsigned int result;
23672   OpenBabel::rotor_digit *arg1 = (OpenBabel::rotor_digit *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
23673   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23674   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__rotor_digit, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23675     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "rotor_digit_size" "', argument " "1"" of type '" "OpenBabel::rotor_digit *""'");  }
23676    arg1 = reinterpret_cast< OpenBabel::rotor_digit * >(argp1); result = (unsigned int)(arg1)->size();
23677   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_rotor_digit__next(SEXP self,SEXP s_swig_copy)23678 SWIGEXPORT SEXP R_swig_rotor_digit__next ( SEXP self, SEXP s_swig_copy) { bool result;
23679   OpenBabel::rotor_digit *arg1 = (OpenBabel::rotor_digit *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
23680   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23681   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__rotor_digit, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23682     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "rotor_digit__next" "', argument " "1"" of type '" "OpenBabel::rotor_digit *""'");  }
23683    arg1 = reinterpret_cast< OpenBabel::rotor_digit * >(argp1); result = (bool)(arg1)->next(); r_ans = Rf_ScalarLogical(result);
23684   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_rotor_digit(SEXP self)23685 SWIGEXPORT SEXP R_swig_delete_rotor_digit ( SEXP self) { OpenBabel::rotor_digit *arg1 = (OpenBabel::rotor_digit *) 0 ;
23686   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23687   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__rotor_digit, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
23688     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_rotor_digit" "', argument " "1"" of type '" "OpenBabel::rotor_digit *""'");  }
23689    arg1 = reinterpret_cast< OpenBabel::rotor_digit * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
23690   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_new_OBRotorKeys()23691 SWIGEXPORT SEXP R_swig_new_OBRotorKeys ( ) { OpenBabel::OBRotorKeys *result = 0 ; unsigned int r_nprotect = 0;
23692   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBRotorKeys *)new OpenBabel::OBRotorKeys();
23693   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBRotorKeys, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
23694   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotorKeys_Clear(SEXP self)23695 SWIGEXPORT SEXP R_swig_OBRotorKeys_Clear ( SEXP self) { OpenBabel::OBRotorKeys *arg1 = (OpenBabel::OBRotorKeys *) 0 ;
23696   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23697   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotorKeys, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23698     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotorKeys_Clear" "', argument " "1"" of type '" "OpenBabel::OBRotorKeys *""'");  }
23699    arg1 = reinterpret_cast< OpenBabel::OBRotorKeys * >(argp1); (arg1)->Clear(); r_ans = R_NilValue; vmaxset(r_vmax);
23700   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotorKeys_NumKeys(SEXP self,SEXP s_swig_copy)23701 SWIGEXPORT SEXP R_swig_OBRotorKeys_NumKeys ( SEXP self, SEXP s_swig_copy) { unsigned int result;
23702   OpenBabel::OBRotorKeys *arg1 = (OpenBabel::OBRotorKeys *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
23703   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23704   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotorKeys, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23705     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotorKeys_NumKeys" "', argument " "1"" of type '" "OpenBabel::OBRotorKeys *""'");  }
23706    arg1 = reinterpret_cast< OpenBabel::OBRotorKeys * >(argp1); result = (unsigned int)(arg1)->NumKeys();
23707   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotorKeys_AddRotor(SEXP self,SEXP size)23708 SWIGEXPORT SEXP R_swig_OBRotorKeys_AddRotor ( SEXP self, SEXP size) {
23709   OpenBabel::OBRotorKeys *arg1 = (OpenBabel::OBRotorKeys *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ;
23710   int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23711   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotorKeys, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23712     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotorKeys_AddRotor" "', argument " "1"" of type '" "OpenBabel::OBRotorKeys *""'");  }
23713    arg1 = reinterpret_cast< OpenBabel::OBRotorKeys * >(argp1); ecode2 = SWIG_AsVal_int(size, &val2); if (!SWIG_IsOK(ecode2)) {
23714     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBRotorKeys_AddRotor" "', argument " "2"" of type '" "unsigned int""'"); }
23715     arg2 = static_cast< unsigned int >(val2); (arg1)->AddRotor(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
23716   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotorKeys_Next(SEXP self,SEXP s_swig_copy)23717 SWIGEXPORT SEXP R_swig_OBRotorKeys_Next ( SEXP self, SEXP s_swig_copy) { bool result;
23718   OpenBabel::OBRotorKeys *arg1 = (OpenBabel::OBRotorKeys *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
23719   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23720   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotorKeys, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23721     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotorKeys_Next" "', argument " "1"" of type '" "OpenBabel::OBRotorKeys *""'");  }
23722    arg1 = reinterpret_cast< OpenBabel::OBRotorKeys * >(argp1); result = (bool)(arg1)->Next(); r_ans = Rf_ScalarLogical(result);
23723   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotorKeys_GetKey(SEXP self,SEXP s_swig_copy)23724 SWIGEXPORT SEXP R_swig_OBRotorKeys_GetKey ( SEXP self, SEXP s_swig_copy) { std::vector< int,std::allocator< int > > result;
23725   OpenBabel::OBRotorKeys *arg1 = (OpenBabel::OBRotorKeys *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
23726   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23727   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotorKeys, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23728     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotorKeys_GetKey" "', argument " "1"" of type '" "OpenBabel::OBRotorKeys *""'");  }
23729    arg1 = reinterpret_cast< OpenBabel::OBRotorKeys * >(argp1); result = (arg1)->GetKey();
23730   r_ans = swig::from(static_cast< std::vector<int,std::allocator< int > > >(result)); vmaxset(r_vmax);
23731   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBRotorKeys(SEXP self)23732 SWIGEXPORT SEXP R_swig_delete_OBRotorKeys ( SEXP self) { OpenBabel::OBRotorKeys *arg1 = (OpenBabel::OBRotorKeys *) 0 ;
23733   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23734   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotorKeys, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
23735     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBRotorKeys" "', argument " "1"" of type '" "OpenBabel::OBRotorKeys *""'");  }
23736    arg1 = reinterpret_cast< OpenBabel::OBRotorKeys * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
23737   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_new_OBRotamerList()23738 SWIGEXPORT SEXP R_swig_new_OBRotamerList ( ) { OpenBabel::OBRotamerList *result = 0 ; unsigned int r_nprotect = 0;
23739   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBRotamerList *)new OpenBabel::OBRotamerList();
23740   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBRotamerList, R_SWIG_OWNER |  0 );
23741   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBRotamerList(SEXP self)23742 SWIGEXPORT SEXP R_swig_delete_OBRotamerList ( SEXP self) { OpenBabel::OBRotamerList *arg1 = (OpenBabel::OBRotamerList *) 0 ;
23743   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23744   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotamerList, SWIG_POINTER_DISOWN |  0 );
23745   if (!SWIG_IsOK(res1)) {
23746     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBRotamerList" "', argument " "1"" of type '" "OpenBabel::OBRotamerList *""'");  }
23747    arg1 = reinterpret_cast< OpenBabel::OBRotamerList * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
23748   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBRotamerList_Setup__SWIG_0(SEXP self,SEXP s_arg2,SEXP s_arg3)23749 SWIGEXPORT SEXP R_swig_OBRotamerList_Setup__SWIG_0 ( SEXP self, SEXP s_arg2, SEXP s_arg3) {
23750   OpenBabel::OBRotamerList *arg1 = (OpenBabel::OBRotamerList *) 0 ; OpenBabel::OBMol *arg2 = 0 ;
23751   OpenBabel::OBRotorList *arg3 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ;
23752   int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23753   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotamerList, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23754     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotamerList_Setup" "', argument " "1"" of type '" "OpenBabel::OBRotamerList *""'");  }
23755    arg1 = reinterpret_cast< OpenBabel::OBRotamerList * >(argp1);
23756   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
23757     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRotamerList_Setup" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
23758    if (!argp2) {
23759     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRotamerList_Setup" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
23760    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2);
23761   res3 = SWIG_R_ConvertPtr(s_arg3, &argp3, SWIGTYPE_p_OpenBabel__OBRotorList,  0 ); if (!SWIG_IsOK(res3)) {
23762     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBRotamerList_Setup" "', argument " "3"" of type '" "OpenBabel::OBRotorList &""'");  }
23763    if (!argp3) {
23764     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRotamerList_Setup" "', argument " "3"" of type '" "OpenBabel::OBRotorList &""'"); }
23765    arg3 = reinterpret_cast< OpenBabel::OBRotorList * >(argp3); (arg1)->Setup(*arg2,*arg3); r_ans = R_NilValue; vmaxset(r_vmax);
23766   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotamerList_Setup__SWIG_1(SEXP self,SEXP mol,SEXP ref,SEXP nrotors)23767 SWIGEXPORT SEXP R_swig_OBRotamerList_Setup__SWIG_1 ( SEXP self, SEXP mol, SEXP ref, SEXP nrotors) {
23768   OpenBabel::OBRotamerList *arg1 = (OpenBabel::OBRotamerList *) 0 ; OpenBabel::OBMol *arg2 = 0 ;
23769   unsigned char *arg3 = (unsigned char *) 0 ; int arg4 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
23770   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23771   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotamerList, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23772     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotamerList_Setup" "', argument " "1"" of type '" "OpenBabel::OBRotamerList *""'");  }
23773    arg1 = reinterpret_cast< OpenBabel::OBRotamerList * >(argp1);
23774   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
23775     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRotamerList_Setup" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
23776    if (!argp2) {
23777     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRotamerList_Setup" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
23778    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); { { int _rswigi; int _rswiglen = LENGTH(ref);
23779       arg3 = static_cast< unsigned char * >(calloc(sizeof(unsigned char), _rswiglen));
23780       for (_rswigi=0; _rswigi< _rswiglen; _rswigi++) { arg3[_rswigi] = INTEGER(ref)[_rswigi]; }  }  }
23781   arg4 = static_cast< int >(INTEGER(nrotors)[0]); (arg1)->Setup(*arg2,arg3,arg4); r_ans = R_NilValue; free(arg3);
23782   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotamerList_NumRotors(SEXP self,SEXP s_swig_copy)23783 SWIGEXPORT SEXP R_swig_OBRotamerList_NumRotors ( SEXP self, SEXP s_swig_copy) { unsigned int result;
23784   OpenBabel::OBRotamerList *arg1 = (OpenBabel::OBRotamerList *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
23785   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23786   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotamerList, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23787     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotamerList_NumRotors" "', argument " "1"" of type '" "OpenBabel::OBRotamerList const *""'");  }
23788    arg1 = reinterpret_cast< OpenBabel::OBRotamerList * >(argp1);
23789   result = (unsigned int)((OpenBabel::OBRotamerList const *)arg1)->NumRotors();
23790   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotamerList_NumRotamers(SEXP self,SEXP s_swig_copy)23791 SWIGEXPORT SEXP R_swig_OBRotamerList_NumRotamers ( SEXP self, SEXP s_swig_copy) { unsigned int result;
23792   OpenBabel::OBRotamerList *arg1 = (OpenBabel::OBRotamerList *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
23793   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23794   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotamerList, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23795     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotamerList_NumRotamers" "', argument " "1"" of type '" "OpenBabel::OBRotamerList const *""'");  }
23796    arg1 = reinterpret_cast< OpenBabel::OBRotamerList * >(argp1);
23797   result = (unsigned int)((OpenBabel::OBRotamerList const *)arg1)->NumRotamers();
23798   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotamerList_AddRotamer__SWIG_0(SEXP self,SEXP s_arg2)23799 SWIGEXPORT SEXP R_swig_OBRotamerList_AddRotamer__SWIG_0 ( SEXP self, SEXP s_arg2) {
23800   OpenBabel::OBRotamerList *arg1 = (OpenBabel::OBRotamerList *) 0 ; double *arg2 = (double *) 0 ; void *argp1 = 0 ;
23801   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23802   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotamerList, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23803     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotamerList_AddRotamer" "', argument " "1"" of type '" "OpenBabel::OBRotamerList *""'");  }
23804    arg1 = reinterpret_cast< OpenBabel::OBRotamerList * >(argp1); { { int _rswigi; int _rswiglen = LENGTH(s_arg2);
23805       arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
23806         arg2[_rswigi] = REAL(s_arg2)[_rswigi]; }  }  }  (arg1)->AddRotamer(arg2); r_ans = R_NilValue; free(arg2);
23807   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotamerList_AddRotamer__SWIG_1(SEXP self,SEXP key)23808 SWIGEXPORT SEXP R_swig_OBRotamerList_AddRotamer__SWIG_1 ( SEXP self, SEXP key) {
23809   OpenBabel::OBRotamerList *arg1 = (OpenBabel::OBRotamerList *) 0 ; int *arg2 = (int *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
23810   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23811   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotamerList, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23812     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotamerList_AddRotamer" "', argument " "1"" of type '" "OpenBabel::OBRotamerList *""'");  }
23813    arg1 = reinterpret_cast< OpenBabel::OBRotamerList * >(argp1); { { int _rswigi; int _rswiglen = LENGTH(key);
23814       arg2 = static_cast< int * >(calloc(sizeof(int), _rswiglen)); for (_rswigi=0; _rswigi< _rswiglen; _rswigi++) {
23815         arg2[_rswigi] = INTEGER(key)[_rswigi]; }  }  }  (arg1)->AddRotamer(arg2); r_ans = R_NilValue; free(arg2);
23816   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotamerList_AddRotamer__SWIG_2(SEXP self,SEXP key)23817 SWIGEXPORT SEXP R_swig_OBRotamerList_AddRotamer__SWIG_2 ( SEXP self, SEXP key) {
23818   OpenBabel::OBRotamerList *arg1 = (OpenBabel::OBRotamerList *) 0 ; std::vector< int,std::allocator< int > > arg2 ;
23819   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23820   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotamerList, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23821     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotamerList_AddRotamer" "', argument " "1"" of type '" "OpenBabel::OBRotamerList *""'");  }
23822    arg1 = reinterpret_cast< OpenBabel::OBRotamerList * >(argp1); {
23823     std::vector<int,std::allocator< int > > *ptr = (std::vector<int,std::allocator< int > > *)0;
23824     int res = swig::asptr(key, &ptr); if (!SWIG_IsOK(res) || !ptr) {
23825       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBRotamerList_AddRotamer" "', argument " "2"" of type '" "std::vector< int,std::allocator< int > >""'");  }
23826      arg2 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  (arg1)->AddRotamer(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
23827   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotamerList_AddRotamer__SWIG_3(SEXP self,SEXP key)23828 SWIGEXPORT SEXP R_swig_OBRotamerList_AddRotamer__SWIG_3 ( SEXP self, SEXP key) {
23829   OpenBabel::OBRotamerList *arg1 = (OpenBabel::OBRotamerList *) 0 ; unsigned char *arg2 = (unsigned char *) 0 ;
23830   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23831   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotamerList, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23832     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotamerList_AddRotamer" "', argument " "1"" of type '" "OpenBabel::OBRotamerList *""'");  }
23833    arg1 = reinterpret_cast< OpenBabel::OBRotamerList * >(argp1); { { int _rswigi; int _rswiglen = LENGTH(key);
23834       arg2 = static_cast< unsigned char * >(calloc(sizeof(unsigned char), _rswiglen));
23835       for (_rswigi=0; _rswigi< _rswiglen; _rswigi++) { arg2[_rswigi] = INTEGER(key)[_rswigi]; }  }  }  (arg1)->AddRotamer(arg2);
23836   r_ans = R_NilValue; free(arg2); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotamerList_AddRotamers(SEXP self,SEXP arr,SEXP nconf)23837 SWIGEXPORT SEXP R_swig_OBRotamerList_AddRotamers ( SEXP self, SEXP arr, SEXP nconf) {
23838   OpenBabel::OBRotamerList *arg1 = (OpenBabel::OBRotamerList *) 0 ; unsigned char *arg2 = (unsigned char *) 0 ; int arg3 ;
23839   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23840   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotamerList, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23841     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotamerList_AddRotamers" "', argument " "1"" of type '" "OpenBabel::OBRotamerList *""'");  }
23842    arg1 = reinterpret_cast< OpenBabel::OBRotamerList * >(argp1); { { int _rswigi; int _rswiglen = LENGTH(arr);
23843       arg2 = static_cast< unsigned char * >(calloc(sizeof(unsigned char), _rswiglen));
23844       for (_rswigi=0; _rswigi< _rswiglen; _rswigi++) { arg2[_rswigi] = INTEGER(arr)[_rswigi]; }  }  }
23845   arg3 = static_cast< int >(INTEGER(nconf)[0]); (arg1)->AddRotamers(arg2,arg3); r_ans = R_NilValue; free(arg2); vmaxset(r_vmax);
23846   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotamerList_GetReferenceArray(SEXP self,SEXP s_arg2)23847 SWIGEXPORT SEXP R_swig_OBRotamerList_GetReferenceArray ( SEXP self, SEXP s_arg2) {
23848   OpenBabel::OBRotamerList *arg1 = (OpenBabel::OBRotamerList *) 0 ; unsigned char *arg2 = (unsigned char *) 0 ;
23849   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23850   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotamerList, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23851     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotamerList_GetReferenceArray" "', argument " "1"" of type '" "OpenBabel::OBRotamerList const *""'");  }
23852    arg1 = reinterpret_cast< OpenBabel::OBRotamerList * >(argp1); { { int _rswigi; int _rswiglen = LENGTH(s_arg2);
23853       arg2 = static_cast< unsigned char * >(calloc(sizeof(unsigned char), _rswiglen));
23854       for (_rswigi=0; _rswigi< _rswiglen; _rswigi++) { arg2[_rswigi] = INTEGER(s_arg2)[_rswigi]; }  }  }
23855   ((OpenBabel::OBRotamerList const *)arg1)->GetReferenceArray(arg2); r_ans = R_NilValue; free(arg2); vmaxset(r_vmax);
23856   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotamerList_BeginRotamer(SEXP self,SEXP s_swig_copy)23857 SWIGEXPORT SEXP R_swig_OBRotamerList_BeginRotamer ( SEXP self, SEXP s_swig_copy) {
23858   SwigValueWrapper< std::vector< unsigned char *,std::allocator< unsigned char * > >::iterator > result;
23859   OpenBabel::OBRotamerList *arg1 = (OpenBabel::OBRotamerList *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
23860   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23861   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotamerList, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23862     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotamerList_BeginRotamer" "', argument " "1"" of type '" "OpenBabel::OBRotamerList *""'");  }
23863    arg1 = reinterpret_cast< OpenBabel::OBRotamerList * >(argp1); result = (arg1)->BeginRotamer();
23864   r_ans = SWIG_R_NewPointerObj((new std::vector< unsigned char *,std::allocator< unsigned char * > >::iterator(static_cast< const std::vector< unsigned char *,std::allocator< unsigned char * > >::iterator& >(result))), SWIGTYPE_p_std__vectorT_unsigned_char_p_std__allocatorT_unsigned_char_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
23865   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotamerList_EndRotamer(SEXP self,SEXP s_swig_copy)23866 SWIGEXPORT SEXP R_swig_OBRotamerList_EndRotamer ( SEXP self, SEXP s_swig_copy) {
23867   SwigValueWrapper< std::vector< unsigned char *,std::allocator< unsigned char * > >::iterator > result;
23868   OpenBabel::OBRotamerList *arg1 = (OpenBabel::OBRotamerList *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
23869   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23870   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotamerList, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23871     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotamerList_EndRotamer" "', argument " "1"" of type '" "OpenBabel::OBRotamerList *""'");  }
23872    arg1 = reinterpret_cast< OpenBabel::OBRotamerList * >(argp1); result = (arg1)->EndRotamer();
23873   r_ans = SWIG_R_NewPointerObj((new std::vector< unsigned char *,std::allocator< unsigned char * > >::iterator(static_cast< const std::vector< unsigned char *,std::allocator< unsigned char * > >::iterator& >(result))), SWIGTYPE_p_std__vectorT_unsigned_char_p_std__allocatorT_unsigned_char_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
23874   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotamerList_CreateConformerList(SEXP self,SEXP mol,SEXP s_swig_copy)23875 SWIGEXPORT SEXP R_swig_OBRotamerList_CreateConformerList ( SEXP self, SEXP mol, SEXP s_swig_copy) {
23876   SwigValueWrapper< std::vector< double *,std::allocator< double * > > > result;
23877   OpenBabel::OBRotamerList *arg1 = (OpenBabel::OBRotamerList *) 0 ; OpenBabel::OBMol *arg2 = 0 ; void *argp1 = 0 ;
23878   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
23879   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotamerList, 0 |  0 );
23880   if (!SWIG_IsOK(res1)) {
23881     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotamerList_CreateConformerList" "', argument " "1"" of type '" "OpenBabel::OBRotamerList *""'");  }
23882    arg1 = reinterpret_cast< OpenBabel::OBRotamerList * >(argp1);
23883   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
23884     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRotamerList_CreateConformerList" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
23885    if (!argp2) {
23886     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRotamerList_CreateConformerList" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
23887    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); result = (arg1)->CreateConformerList(*arg2);
23888   r_ans = SWIG_R_NewPointerObj((new std::vector< double *,std::allocator< double * > >(static_cast< const std::vector< double *,std::allocator< double * > >& >(result))), SWIGTYPE_p_std__vectorT_double_p_std__allocatorT_double_p_t_t, SWIG_POINTER_OWN |  0 );
23889   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotamerList_ExpandConformerList(SEXP self,SEXP mol,SEXP confs)23890 SWIGEXPORT SEXP R_swig_OBRotamerList_ExpandConformerList ( SEXP self, SEXP mol, SEXP confs) {
23891   OpenBabel::OBRotamerList *arg1 = (OpenBabel::OBRotamerList *) 0 ; OpenBabel::OBMol *arg2 = 0 ;
23892   std::vector< double *,std::allocator< double * > > *arg3 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
23893   int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
23894   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotamerList, 0 |  0 );
23895   if (!SWIG_IsOK(res1)) {
23896     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotamerList_ExpandConformerList" "', argument " "1"" of type '" "OpenBabel::OBRotamerList *""'");  }
23897    arg1 = reinterpret_cast< OpenBabel::OBRotamerList * >(argp1);
23898   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
23899     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRotamerList_ExpandConformerList" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
23900    if (!argp2) {
23901     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRotamerList_ExpandConformerList" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
23902    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2);
23903   res3 = SWIG_R_ConvertPtr(confs, &argp3, SWIGTYPE_p_std__vectorT_double_p_std__allocatorT_double_p_t_t,  0 );
23904   if (!SWIG_IsOK(res3)) {
23905     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBRotamerList_ExpandConformerList" "', argument " "3"" of type '" "std::vector< double *,std::allocator< double * > > &""'");  }
23906    if (!argp3) {
23907     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRotamerList_ExpandConformerList" "', argument " "3"" of type '" "std::vector< double *,std::allocator< double * > > &""'"); }
23908    arg3 = reinterpret_cast< std::vector< double *,std::allocator< double * > > * >(argp3);
23909   (arg1)->ExpandConformerList(*arg2,*arg3); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
23910   return r_ans; }
R_swig_OBRotamerList_SetCurrentCoordinates(SEXP self,SEXP mol,SEXP arr)23911 SWIGEXPORT SEXP R_swig_OBRotamerList_SetCurrentCoordinates ( SEXP self, SEXP mol, SEXP arr) {
23912   OpenBabel::OBRotamerList *arg1 = (OpenBabel::OBRotamerList *) 0 ; OpenBabel::OBMol *arg2 = 0 ;
23913   std::vector< int,std::allocator< int > > arg3 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
23914   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23915   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotamerList, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23916     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotamerList_SetCurrentCoordinates" "', argument " "1"" of type '" "OpenBabel::OBRotamerList *""'");  }
23917    arg1 = reinterpret_cast< OpenBabel::OBRotamerList * >(argp1);
23918   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
23919     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRotamerList_SetCurrentCoordinates" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
23920    if (!argp2) {
23921     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRotamerList_SetCurrentCoordinates" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
23922    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); {
23923     std::vector<int,std::allocator< int > > *ptr = (std::vector<int,std::allocator< int > > *)0;
23924     int res = swig::asptr(arr, &ptr); if (!SWIG_IsOK(res) || !ptr) {
23925       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBRotamerList_SetCurrentCoordinates" "', argument " "3"" of type '" "std::vector< int,std::allocator< int > >""'");  }
23926      arg3 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  (arg1)->SetCurrentCoordinates(*arg2,arg3); r_ans = R_NilValue;
23927   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotamerList_SetBaseCoordinateSets__SWIG_0(SEXP self,SEXP mol)23928 SWIGEXPORT SEXP R_swig_OBRotamerList_SetBaseCoordinateSets__SWIG_0 ( SEXP self, SEXP mol) {
23929   OpenBabel::OBRotamerList *arg1 = (OpenBabel::OBRotamerList *) 0 ; OpenBabel::OBMol *arg2 = 0 ; void *argp1 = 0 ;
23930   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
23931   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotamerList, 0 |  0 );
23932   if (!SWIG_IsOK(res1)) {
23933     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotamerList_SetBaseCoordinateSets" "', argument " "1"" of type '" "OpenBabel::OBRotamerList *""'");  }
23934    arg1 = reinterpret_cast< OpenBabel::OBRotamerList * >(argp1);
23935   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
23936     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRotamerList_SetBaseCoordinateSets" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
23937    if (!argp2) {
23938     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRotamerList_SetBaseCoordinateSets" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
23939    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); (arg1)->SetBaseCoordinateSets(*arg2); r_ans = R_NilValue;
23940   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotamerList_SetBaseCoordinateSets__SWIG_1(SEXP self,SEXP bc,SEXP N)23941 SWIGEXPORT SEXP R_swig_OBRotamerList_SetBaseCoordinateSets__SWIG_1 ( SEXP self, SEXP bc, SEXP N) {
23942   OpenBabel::OBRotamerList *arg1 = (OpenBabel::OBRotamerList *) 0 ;
23943   SwigValueWrapper< std::vector< double *,std::allocator< double * > > > arg2 ; unsigned int arg3 ; void *argp1 = 0 ;
23944   int res1 = 0 ; void *argp2 ; int res2 = 0 ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
23945   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotamerList, 0 |  0 );
23946   if (!SWIG_IsOK(res1)) {
23947     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotamerList_SetBaseCoordinateSets" "', argument " "1"" of type '" "OpenBabel::OBRotamerList *""'");  }
23948    arg1 = reinterpret_cast< OpenBabel::OBRotamerList * >(argp1); {
23949     res2 = SWIG_R_ConvertPtr(bc, &argp2, SWIGTYPE_p_std__vectorT_double_p_std__allocatorT_double_p_t_t,  0 );
23950     if (!SWIG_IsOK(res2)) {
23951       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBRotamerList_SetBaseCoordinateSets" "', argument " "2"" of type '" "std::vector< double *,std::allocator< double * > >""'");  }
23952        if (!argp2) {
23953       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBRotamerList_SetBaseCoordinateSets" "', argument " "2"" of type '" "std::vector< double *,std::allocator< double * > >""'"); }
23954      else { arg2 = *(reinterpret_cast< std::vector< double *,std::allocator< double * > > * >(argp2)); }  }
23955   ecode3 = SWIG_AsVal_int(N, &val3); if (!SWIG_IsOK(ecode3)) {
23956     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "OBRotamerList_SetBaseCoordinateSets" "', argument " "3"" of type '" "unsigned int""'"); }
23957     arg3 = static_cast< unsigned int >(val3); (arg1)->SetBaseCoordinateSets(arg2,arg3); r_ans = R_NilValue; vmaxset(r_vmax);
23958   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotamerList_NumBaseCoordinateSets(SEXP self,SEXP s_swig_copy)23959 SWIGEXPORT SEXP R_swig_OBRotamerList_NumBaseCoordinateSets ( SEXP self, SEXP s_swig_copy) { unsigned int result;
23960   OpenBabel::OBRotamerList *arg1 = (OpenBabel::OBRotamerList *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
23961   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23962   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotamerList, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23963     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotamerList_NumBaseCoordinateSets" "', argument " "1"" of type '" "OpenBabel::OBRotamerList const *""'");  }
23964    arg1 = reinterpret_cast< OpenBabel::OBRotamerList * >(argp1);
23965   result = (unsigned int)((OpenBabel::OBRotamerList const *)arg1)->NumBaseCoordinateSets();
23966   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotamerList_GetBaseCoordinateSet(SEXP self,SEXP i)23967 SWIGEXPORT SEXP R_swig_OBRotamerList_GetBaseCoordinateSet ( SEXP self, SEXP i) { double *result = 0 ;
23968   OpenBabel::OBRotamerList *arg1 = (OpenBabel::OBRotamerList *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
23969   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23970   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotamerList, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23971     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotamerList_GetBaseCoordinateSet" "', argument " "1"" of type '" "OpenBabel::OBRotamerList const *""'");  }
23972    arg1 = reinterpret_cast< OpenBabel::OBRotamerList * >(argp1); ecode2 = SWIG_AsVal_int(i, &val2); if (!SWIG_IsOK(ecode2)) {
23973     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBRotamerList_GetBaseCoordinateSet" "', argument " "2"" of type '" "unsigned int""'"); }
23974     arg2 = static_cast< unsigned int >(val2);
23975   result = (double *)((OpenBabel::OBRotamerList const *)arg1)->GetBaseCoordinateSet(arg2);
23976   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_double, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
23977   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBRotamerList_NumAtoms(SEXP self,SEXP s_swig_copy)23978 SWIGEXPORT SEXP R_swig_OBRotamerList_NumAtoms ( SEXP self, SEXP s_swig_copy) { unsigned int result;
23979   OpenBabel::OBRotamerList *arg1 = (OpenBabel::OBRotamerList *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
23980   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
23981   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRotamerList, 0 |  0 ); if (!SWIG_IsOK(res1)) {
23982     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBRotamerList_NumAtoms" "', argument " "1"" of type '" "OpenBabel::OBRotamerList const *""'");  }
23983    arg1 = reinterpret_cast< OpenBabel::OBRotamerList * >(argp1);
23984   result = (unsigned int)((OpenBabel::OBRotamerList const *)arg1)->NumAtoms();
23985   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBSpectrophore__SWIG_0()23986 SWIGEXPORT SEXP R_swig_new_OBSpectrophore__SWIG_0 ( ) { OpenBabel::OBSpectrophore *result = 0 ; unsigned int r_nprotect = 0;
23987   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBSpectrophore *)new OpenBabel::OBSpectrophore();
23988   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBSpectrophore, R_SWIG_OWNER |  0 );
23989   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBSpectrophore__SWIG_1(SEXP sphore)23990 SWIGEXPORT SEXP R_swig_new_OBSpectrophore__SWIG_1 ( SEXP sphore) { OpenBabel::OBSpectrophore *result = 0 ;
23991   OpenBabel::OBSpectrophore *arg1 = 0 ; void *argp1 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
23992   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(sphore, &argp1, SWIGTYPE_p_OpenBabel__OBSpectrophore,  0 );
23993   if (!SWIG_IsOK(res1)) {
23994     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBSpectrophore" "', argument " "1"" of type '" "OpenBabel::OBSpectrophore const &""'");  }
23995    if (!argp1) {
23996     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBSpectrophore" "', argument " "1"" of type '" "OpenBabel::OBSpectrophore const &""'"); }
23997    arg1 = reinterpret_cast< OpenBabel::OBSpectrophore * >(argp1);
23998   result = (OpenBabel::OBSpectrophore *)new OpenBabel::OBSpectrophore((OpenBabel::OBSpectrophore const &)*arg1);
23999   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBSpectrophore, R_SWIG_OWNER |  0 );
24000   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBSpectrophore(SEXP self)24001 SWIGEXPORT SEXP R_swig_delete_OBSpectrophore ( SEXP self) { OpenBabel::OBSpectrophore *arg1 = (OpenBabel::OBSpectrophore *) 0 ;
24002   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24003   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSpectrophore, SWIG_POINTER_DISOWN |  0 );
24004   if (!SWIG_IsOK(res1)) {
24005     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBSpectrophore" "', argument " "1"" of type '" "OpenBabel::OBSpectrophore *""'");  }
24006    arg1 = reinterpret_cast< OpenBabel::OBSpectrophore * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
24007   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBSpectrophore_SetResolution__SWIG_0(SEXP self,SEXP r)24008 SWIGEXPORT SEXP R_swig_OBSpectrophore_SetResolution__SWIG_0 ( SEXP self, SEXP r) {
24009   OpenBabel::OBSpectrophore *arg1 = (OpenBabel::OBSpectrophore *) 0 ; double arg2 ; void *argp1 = 0 ; int res1 = 0 ;
24010   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24011   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSpectrophore, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24012     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSpectrophore_SetResolution" "', argument " "1"" of type '" "OpenBabel::OBSpectrophore *""'");  }
24013    arg1 = reinterpret_cast< OpenBabel::OBSpectrophore * >(argp1); arg2 = static_cast< double >(REAL(r)[0]);
24014   (arg1)->SetResolution(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSpectrophore_SetResolution__SWIG_1(SEXP self)24015 SWIGEXPORT SEXP R_swig_OBSpectrophore_SetResolution__SWIG_1 ( SEXP self) {
24016   OpenBabel::OBSpectrophore *arg1 = (OpenBabel::OBSpectrophore *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24017   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24018   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSpectrophore, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24019     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSpectrophore_SetResolution" "', argument " "1"" of type '" "OpenBabel::OBSpectrophore *""'");  }
24020    arg1 = reinterpret_cast< OpenBabel::OBSpectrophore * >(argp1); (arg1)->SetResolution(); r_ans = R_NilValue; vmaxset(r_vmax);
24021   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSpectrophore_SetAccuracy__SWIG_0(SEXP self,SEXP a)24022 SWIGEXPORT SEXP R_swig_OBSpectrophore_SetAccuracy__SWIG_0 ( SEXP self, SEXP a) {
24023   OpenBabel::OBSpectrophore *arg1 = (OpenBabel::OBSpectrophore *) 0 ; OpenBabel::OBSpectrophore::AccuracyOption arg2 ;
24024   void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
24025   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSpectrophore, 0 |  0 );
24026   if (!SWIG_IsOK(res1)) {
24027     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSpectrophore_SetAccuracy" "', argument " "1"" of type '" "OpenBabel::OBSpectrophore *""'");  }
24028    arg1 = reinterpret_cast< OpenBabel::OBSpectrophore * >(argp1); ecode2 = SWIG_AsVal_int(a, &val2); if (!SWIG_IsOK(ecode2)) {
24029     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBSpectrophore_SetAccuracy" "', argument " "2"" of type '" "OpenBabel::OBSpectrophore::AccuracyOption""'"); }
24030     arg2 = static_cast< OpenBabel::OBSpectrophore::AccuracyOption >(val2); (arg1)->SetAccuracy(arg2); r_ans = R_NilValue;
24031   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSpectrophore_SetAccuracy__SWIG_1(SEXP self)24032 SWIGEXPORT SEXP R_swig_OBSpectrophore_SetAccuracy__SWIG_1 ( SEXP self) {
24033   OpenBabel::OBSpectrophore *arg1 = (OpenBabel::OBSpectrophore *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24034   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24035   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSpectrophore, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24036     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSpectrophore_SetAccuracy" "', argument " "1"" of type '" "OpenBabel::OBSpectrophore *""'");  }
24037    arg1 = reinterpret_cast< OpenBabel::OBSpectrophore * >(argp1); (arg1)->SetAccuracy(); r_ans = R_NilValue; vmaxset(r_vmax);
24038   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSpectrophore_SetStereo__SWIG_0(SEXP self,SEXP s)24039 SWIGEXPORT SEXP R_swig_OBSpectrophore_SetStereo__SWIG_0 ( SEXP self, SEXP s) {
24040   OpenBabel::OBSpectrophore *arg1 = (OpenBabel::OBSpectrophore *) 0 ; OpenBabel::OBSpectrophore::StereoOption arg2 ;
24041   void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
24042   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSpectrophore, 0 |  0 );
24043   if (!SWIG_IsOK(res1)) {
24044     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSpectrophore_SetStereo" "', argument " "1"" of type '" "OpenBabel::OBSpectrophore *""'");  }
24045    arg1 = reinterpret_cast< OpenBabel::OBSpectrophore * >(argp1); ecode2 = SWIG_AsVal_int(s, &val2); if (!SWIG_IsOK(ecode2)) {
24046     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBSpectrophore_SetStereo" "', argument " "2"" of type '" "OpenBabel::OBSpectrophore::StereoOption""'"); }
24047     arg2 = static_cast< OpenBabel::OBSpectrophore::StereoOption >(val2); (arg1)->SetStereo(arg2); r_ans = R_NilValue;
24048   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSpectrophore_SetStereo__SWIG_1(SEXP self)24049 SWIGEXPORT SEXP R_swig_OBSpectrophore_SetStereo__SWIG_1 ( SEXP self) {
24050   OpenBabel::OBSpectrophore *arg1 = (OpenBabel::OBSpectrophore *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24051   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24052   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSpectrophore, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24053     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSpectrophore_SetStereo" "', argument " "1"" of type '" "OpenBabel::OBSpectrophore *""'");  }
24054    arg1 = reinterpret_cast< OpenBabel::OBSpectrophore * >(argp1); (arg1)->SetStereo(); r_ans = R_NilValue; vmaxset(r_vmax);
24055   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSpectrophore_SetNormalization__SWIG_0(SEXP self,SEXP n)24056 SWIGEXPORT SEXP R_swig_OBSpectrophore_SetNormalization__SWIG_0 ( SEXP self, SEXP n) {
24057   OpenBabel::OBSpectrophore *arg1 = (OpenBabel::OBSpectrophore *) 0 ; OpenBabel::OBSpectrophore::NormalizationOption arg2 ;
24058   void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
24059   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSpectrophore, 0 |  0 );
24060   if (!SWIG_IsOK(res1)) {
24061     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSpectrophore_SetNormalization" "', argument " "1"" of type '" "OpenBabel::OBSpectrophore *""'");  }
24062    arg1 = reinterpret_cast< OpenBabel::OBSpectrophore * >(argp1); ecode2 = SWIG_AsVal_int(n, &val2); if (!SWIG_IsOK(ecode2)) {
24063     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBSpectrophore_SetNormalization" "', argument " "2"" of type '" "OpenBabel::OBSpectrophore::NormalizationOption""'"); }
24064     arg2 = static_cast< OpenBabel::OBSpectrophore::NormalizationOption >(val2); (arg1)->SetNormalization(arg2);
24065   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSpectrophore_SetNormalization__SWIG_1(SEXP self)24066 SWIGEXPORT SEXP R_swig_OBSpectrophore_SetNormalization__SWIG_1 ( SEXP self) {
24067   OpenBabel::OBSpectrophore *arg1 = (OpenBabel::OBSpectrophore *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24068   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24069   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSpectrophore, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24070     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSpectrophore_SetNormalization" "', argument " "1"" of type '" "OpenBabel::OBSpectrophore *""'");  }
24071    arg1 = reinterpret_cast< OpenBabel::OBSpectrophore * >(argp1); (arg1)->SetNormalization(); r_ans = R_NilValue;
24072   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSpectrophore_GetAccuracy(SEXP self,SEXP s_swig_copy)24073 SWIGEXPORT SEXP R_swig_OBSpectrophore_GetAccuracy ( SEXP self, SEXP s_swig_copy) {
24074   OpenBabel::OBSpectrophore::AccuracyOption result; OpenBabel::OBSpectrophore *arg1 = (OpenBabel::OBSpectrophore *) 0 ;
24075   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24076   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSpectrophore, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24077     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSpectrophore_GetAccuracy" "', argument " "1"" of type '" "OpenBabel::OBSpectrophore const *""'");  }
24078    arg1 = reinterpret_cast< OpenBabel::OBSpectrophore * >(argp1);
24079   result = (OpenBabel::OBSpectrophore::AccuracyOption)((OpenBabel::OBSpectrophore const *)arg1)->GetAccuracy();
24080   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSpectrophore_GetResolution(SEXP self,SEXP s_swig_copy)24081 SWIGEXPORT SEXP R_swig_OBSpectrophore_GetResolution ( SEXP self, SEXP s_swig_copy) { double result;
24082   OpenBabel::OBSpectrophore *arg1 = (OpenBabel::OBSpectrophore *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24083   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24084   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSpectrophore, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24085     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSpectrophore_GetResolution" "', argument " "1"" of type '" "OpenBabel::OBSpectrophore const *""'");  }
24086    arg1 = reinterpret_cast< OpenBabel::OBSpectrophore * >(argp1);
24087   result = (double)((OpenBabel::OBSpectrophore const *)arg1)->GetResolution();
24088   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
24089   return r_ans; }
R_swig_OBSpectrophore_GetStereo(SEXP self,SEXP s_swig_copy)24090 SWIGEXPORT SEXP R_swig_OBSpectrophore_GetStereo ( SEXP self, SEXP s_swig_copy) { OpenBabel::OBSpectrophore::StereoOption result;
24091   OpenBabel::OBSpectrophore *arg1 = (OpenBabel::OBSpectrophore *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24092   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24093   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSpectrophore, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24094     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSpectrophore_GetStereo" "', argument " "1"" of type '" "OpenBabel::OBSpectrophore const *""'");  }
24095    arg1 = reinterpret_cast< OpenBabel::OBSpectrophore * >(argp1);
24096   result = (OpenBabel::OBSpectrophore::StereoOption)((OpenBabel::OBSpectrophore const *)arg1)->GetStereo();
24097   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSpectrophore_GetNormalization(SEXP self,SEXP s_swig_copy)24098 SWIGEXPORT SEXP R_swig_OBSpectrophore_GetNormalization ( SEXP self, SEXP s_swig_copy) {
24099   OpenBabel::OBSpectrophore::NormalizationOption result; OpenBabel::OBSpectrophore *arg1 = (OpenBabel::OBSpectrophore *) 0 ;
24100   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24101   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSpectrophore, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24102     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSpectrophore_GetNormalization" "', argument " "1"" of type '" "OpenBabel::OBSpectrophore const *""'");  }
24103    arg1 = reinterpret_cast< OpenBabel::OBSpectrophore * >(argp1);
24104   result = (OpenBabel::OBSpectrophore::NormalizationOption)((OpenBabel::OBSpectrophore const *)arg1)->GetNormalization();
24105   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSpectrophore_GetSpectrophore(SEXP self,SEXP mol,SEXP s_swig_copy)24106 SWIGEXPORT SEXP R_swig_OBSpectrophore_GetSpectrophore ( SEXP self, SEXP mol, SEXP s_swig_copy) {
24107   std::vector< double,std::allocator< double > > result; OpenBabel::OBSpectrophore *arg1 = (OpenBabel::OBSpectrophore *) 0 ;
24108   OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
24109   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24110   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSpectrophore, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24111     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSpectrophore_GetSpectrophore" "', argument " "1"" of type '" "OpenBabel::OBSpectrophore *""'");  }
24112    arg1 = reinterpret_cast< OpenBabel::OBSpectrophore * >(argp1);
24113   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res2)) {
24114     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBSpectrophore_GetSpectrophore" "', argument " "2"" of type '" "OpenBabel::OBMol *""'");  }
24115    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); result = (arg1)->GetSpectrophore(arg2);
24116   r_ans = swig::from(static_cast< std::vector<double,std::allocator< double > > >(result)); vmaxset(r_vmax);
24117   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_LineSearchType()24118 SWIGEXPORT SEXP R_swig_new_LineSearchType ( ) { OpenBabel::LineSearchType *result = 0 ; unsigned int r_nprotect = 0;
24119   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::LineSearchType *)new OpenBabel::LineSearchType();
24120   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__LineSearchType, R_SWIG_OWNER |  0 );
24121   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_LineSearchType(SEXP self)24122 SWIGEXPORT SEXP R_swig_delete_LineSearchType ( SEXP self) { OpenBabel::LineSearchType *arg1 = (OpenBabel::LineSearchType *) 0 ;
24123   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24124   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__LineSearchType, SWIG_POINTER_DISOWN |  0 );
24125   if (!SWIG_IsOK(res1)) {
24126     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_LineSearchType" "', argument " "1"" of type '" "OpenBabel::LineSearchType *""'");  }
24127    arg1 = reinterpret_cast< OpenBabel::LineSearchType * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
24128   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBFFParameter_a_set(SEXP self,SEXP s_a)24129 SWIGEXPORT SEXP R_swig_OBFFParameter_a_set ( SEXP self, SEXP s_a) {
24130   OpenBabel::OBFFParameter *arg1 = (OpenBabel::OBFFParameter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
24131   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24132   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFParameter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24133     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFParameter_a_set" "', argument " "1"" of type '" "OpenBabel::OBFFParameter *""'");  }
24134    arg1 = reinterpret_cast< OpenBabel::OBFFParameter * >(argp1); arg2 = static_cast< int >(INTEGER(s_a)[0]);
24135   if (arg1) (arg1)->a = arg2; r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFParameter_a_get(SEXP self,SEXP s_swig_copy)24136 SWIGEXPORT SEXP R_swig_OBFFParameter_a_get ( SEXP self, SEXP s_swig_copy) { int result;
24137   OpenBabel::OBFFParameter *arg1 = (OpenBabel::OBFFParameter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24138   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24139   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFParameter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24140     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFParameter_a_get" "', argument " "1"" of type '" "OpenBabel::OBFFParameter *""'");  }
24141    arg1 = reinterpret_cast< OpenBabel::OBFFParameter * >(argp1); result = (int) ((arg1)->a); r_ans = Rf_ScalarInteger(result);
24142   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFParameter_b_set(SEXP self,SEXP s_b)24143 SWIGEXPORT SEXP R_swig_OBFFParameter_b_set ( SEXP self, SEXP s_b) {
24144   OpenBabel::OBFFParameter *arg1 = (OpenBabel::OBFFParameter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
24145   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24146   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFParameter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24147     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFParameter_b_set" "', argument " "1"" of type '" "OpenBabel::OBFFParameter *""'");  }
24148    arg1 = reinterpret_cast< OpenBabel::OBFFParameter * >(argp1); arg2 = static_cast< int >(INTEGER(s_b)[0]);
24149   if (arg1) (arg1)->b = arg2; r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFParameter_b_get(SEXP self,SEXP s_swig_copy)24150 SWIGEXPORT SEXP R_swig_OBFFParameter_b_get ( SEXP self, SEXP s_swig_copy) { int result;
24151   OpenBabel::OBFFParameter *arg1 = (OpenBabel::OBFFParameter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24152   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24153   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFParameter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24154     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFParameter_b_get" "', argument " "1"" of type '" "OpenBabel::OBFFParameter *""'");  }
24155    arg1 = reinterpret_cast< OpenBabel::OBFFParameter * >(argp1); result = (int) ((arg1)->b); r_ans = Rf_ScalarInteger(result);
24156   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFParameter_c_set(SEXP self,SEXP s_c)24157 SWIGEXPORT SEXP R_swig_OBFFParameter_c_set ( SEXP self, SEXP s_c) {
24158   OpenBabel::OBFFParameter *arg1 = (OpenBabel::OBFFParameter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
24159   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24160   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFParameter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24161     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFParameter_c_set" "', argument " "1"" of type '" "OpenBabel::OBFFParameter *""'");  }
24162    arg1 = reinterpret_cast< OpenBabel::OBFFParameter * >(argp1); arg2 = static_cast< int >(INTEGER(s_c)[0]);
24163   if (arg1) (arg1)->c = arg2; r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFParameter_c_get(SEXP self,SEXP s_swig_copy)24164 SWIGEXPORT SEXP R_swig_OBFFParameter_c_get ( SEXP self, SEXP s_swig_copy) { int result;
24165   OpenBabel::OBFFParameter *arg1 = (OpenBabel::OBFFParameter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24166   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24167   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFParameter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24168     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFParameter_c_get" "', argument " "1"" of type '" "OpenBabel::OBFFParameter *""'");  }
24169    arg1 = reinterpret_cast< OpenBabel::OBFFParameter * >(argp1); result = (int) ((arg1)->c); r_ans = Rf_ScalarInteger(result);
24170   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFParameter_d_set(SEXP self,SEXP s_d)24171 SWIGEXPORT SEXP R_swig_OBFFParameter_d_set ( SEXP self, SEXP s_d) {
24172   OpenBabel::OBFFParameter *arg1 = (OpenBabel::OBFFParameter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
24173   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24174   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFParameter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24175     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFParameter_d_set" "', argument " "1"" of type '" "OpenBabel::OBFFParameter *""'");  }
24176    arg1 = reinterpret_cast< OpenBabel::OBFFParameter * >(argp1); arg2 = static_cast< int >(INTEGER(s_d)[0]);
24177   if (arg1) (arg1)->d = arg2; r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFParameter_d_get(SEXP self,SEXP s_swig_copy)24178 SWIGEXPORT SEXP R_swig_OBFFParameter_d_get ( SEXP self, SEXP s_swig_copy) { int result;
24179   OpenBabel::OBFFParameter *arg1 = (OpenBabel::OBFFParameter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24180   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24181   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFParameter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24182     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFParameter_d_get" "', argument " "1"" of type '" "OpenBabel::OBFFParameter *""'");  }
24183    arg1 = reinterpret_cast< OpenBabel::OBFFParameter * >(argp1); result = (int) ((arg1)->d); r_ans = Rf_ScalarInteger(result);
24184   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFParameter__a_set(SEXP self,SEXP s_a)24185 SWIGEXPORT SEXP R_swig_OBFFParameter__a_set ( SEXP self, SEXP s_a) {
24186   OpenBabel::OBFFParameter *arg1 = (OpenBabel::OBFFParameter *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
24187   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24188   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFParameter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24189     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFParameter__a_set" "', argument " "1"" of type '" "OpenBabel::OBFFParameter *""'");  }
24190    arg1 = reinterpret_cast< OpenBabel::OBFFParameter * >(argp1); { std::string *ptr = (std::string *)0;
24191     res2 = SWIG_AsPtr_std_string(s_a, &ptr); if (!SWIG_IsOK(res2)) {
24192       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBFFParameter__a_set" "', argument " "2"" of type '" "std::string const &""'"); }
24193      if (!ptr) {
24194       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBFFParameter__a_set" "', argument " "2"" of type '" "std::string const &""'"); }
24195      arg2 = ptr; }  if (arg1) (arg1)->_a = *arg2; r_ans = R_NilValue; if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax);
24196   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFParameter__a_get(SEXP self,SEXP s_swig_copy)24197 SWIGEXPORT SEXP R_swig_OBFFParameter__a_get ( SEXP self, SEXP s_swig_copy) { std::string *result = 0 ;
24198   OpenBabel::OBFFParameter *arg1 = (OpenBabel::OBFFParameter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24199   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24200   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFParameter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24201     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFParameter__a_get" "', argument " "1"" of type '" "OpenBabel::OBFFParameter *""'");  }
24202    arg1 = reinterpret_cast< OpenBabel::OBFFParameter * >(argp1); result = (std::string *) & ((arg1)->_a);
24203   r_ans = SWIG_From_std_string(static_cast< std::string >(*result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
24204   return r_ans; }
R_swig_OBFFParameter__b_set(SEXP self,SEXP s_b)24205 SWIGEXPORT SEXP R_swig_OBFFParameter__b_set ( SEXP self, SEXP s_b) {
24206   OpenBabel::OBFFParameter *arg1 = (OpenBabel::OBFFParameter *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
24207   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24208   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFParameter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24209     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFParameter__b_set" "', argument " "1"" of type '" "OpenBabel::OBFFParameter *""'");  }
24210    arg1 = reinterpret_cast< OpenBabel::OBFFParameter * >(argp1); { std::string *ptr = (std::string *)0;
24211     res2 = SWIG_AsPtr_std_string(s_b, &ptr); if (!SWIG_IsOK(res2)) {
24212       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBFFParameter__b_set" "', argument " "2"" of type '" "std::string const &""'"); }
24213      if (!ptr) {
24214       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBFFParameter__b_set" "', argument " "2"" of type '" "std::string const &""'"); }
24215      arg2 = ptr; }  if (arg1) (arg1)->_b = *arg2; r_ans = R_NilValue; if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax);
24216   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFParameter__b_get(SEXP self,SEXP s_swig_copy)24217 SWIGEXPORT SEXP R_swig_OBFFParameter__b_get ( SEXP self, SEXP s_swig_copy) { std::string *result = 0 ;
24218   OpenBabel::OBFFParameter *arg1 = (OpenBabel::OBFFParameter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24219   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24220   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFParameter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24221     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFParameter__b_get" "', argument " "1"" of type '" "OpenBabel::OBFFParameter *""'");  }
24222    arg1 = reinterpret_cast< OpenBabel::OBFFParameter * >(argp1); result = (std::string *) & ((arg1)->_b);
24223   r_ans = SWIG_From_std_string(static_cast< std::string >(*result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
24224   return r_ans; }
R_swig_OBFFParameter__c_set(SEXP self,SEXP s_c)24225 SWIGEXPORT SEXP R_swig_OBFFParameter__c_set ( SEXP self, SEXP s_c) {
24226   OpenBabel::OBFFParameter *arg1 = (OpenBabel::OBFFParameter *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
24227   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24228   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFParameter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24229     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFParameter__c_set" "', argument " "1"" of type '" "OpenBabel::OBFFParameter *""'");  }
24230    arg1 = reinterpret_cast< OpenBabel::OBFFParameter * >(argp1); { std::string *ptr = (std::string *)0;
24231     res2 = SWIG_AsPtr_std_string(s_c, &ptr); if (!SWIG_IsOK(res2)) {
24232       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBFFParameter__c_set" "', argument " "2"" of type '" "std::string const &""'"); }
24233      if (!ptr) {
24234       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBFFParameter__c_set" "', argument " "2"" of type '" "std::string const &""'"); }
24235      arg2 = ptr; }  if (arg1) (arg1)->_c = *arg2; r_ans = R_NilValue; if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax);
24236   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFParameter__c_get(SEXP self,SEXP s_swig_copy)24237 SWIGEXPORT SEXP R_swig_OBFFParameter__c_get ( SEXP self, SEXP s_swig_copy) { std::string *result = 0 ;
24238   OpenBabel::OBFFParameter *arg1 = (OpenBabel::OBFFParameter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24239   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24240   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFParameter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24241     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFParameter__c_get" "', argument " "1"" of type '" "OpenBabel::OBFFParameter *""'");  }
24242    arg1 = reinterpret_cast< OpenBabel::OBFFParameter * >(argp1); result = (std::string *) & ((arg1)->_c);
24243   r_ans = SWIG_From_std_string(static_cast< std::string >(*result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
24244   return r_ans; }
R_swig_OBFFParameter__d_set(SEXP self,SEXP s_d)24245 SWIGEXPORT SEXP R_swig_OBFFParameter__d_set ( SEXP self, SEXP s_d) {
24246   OpenBabel::OBFFParameter *arg1 = (OpenBabel::OBFFParameter *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
24247   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24248   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFParameter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24249     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFParameter__d_set" "', argument " "1"" of type '" "OpenBabel::OBFFParameter *""'");  }
24250    arg1 = reinterpret_cast< OpenBabel::OBFFParameter * >(argp1); { std::string *ptr = (std::string *)0;
24251     res2 = SWIG_AsPtr_std_string(s_d, &ptr); if (!SWIG_IsOK(res2)) {
24252       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBFFParameter__d_set" "', argument " "2"" of type '" "std::string const &""'"); }
24253      if (!ptr) {
24254       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBFFParameter__d_set" "', argument " "2"" of type '" "std::string const &""'"); }
24255      arg2 = ptr; }  if (arg1) (arg1)->_d = *arg2; r_ans = R_NilValue; if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax);
24256   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFParameter__d_get(SEXP self,SEXP s_swig_copy)24257 SWIGEXPORT SEXP R_swig_OBFFParameter__d_get ( SEXP self, SEXP s_swig_copy) { std::string *result = 0 ;
24258   OpenBabel::OBFFParameter *arg1 = (OpenBabel::OBFFParameter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24259   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24260   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFParameter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24261     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFParameter__d_get" "', argument " "1"" of type '" "OpenBabel::OBFFParameter *""'");  }
24262    arg1 = reinterpret_cast< OpenBabel::OBFFParameter * >(argp1); result = (std::string *) & ((arg1)->_d);
24263   r_ans = SWIG_From_std_string(static_cast< std::string >(*result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
24264   return r_ans; }
R_swig_OBFFParameter__ipar_set(SEXP self,SEXP s_ipar)24265 SWIGEXPORT SEXP R_swig_OBFFParameter__ipar_set ( SEXP self, SEXP s_ipar) {
24266   OpenBabel::OBFFParameter *arg1 = (OpenBabel::OBFFParameter *) 0 ; std::vector< int,std::allocator< int > > *arg2 = 0 ;
24267   void *argp1 = 0 ; int res1 = 0 ; int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
24268   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFParameter, 0 |  0 );
24269   if (!SWIG_IsOK(res1)) {
24270     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFParameter__ipar_set" "', argument " "1"" of type '" "OpenBabel::OBFFParameter *""'");  }
24271    arg1 = reinterpret_cast< OpenBabel::OBFFParameter * >(argp1); {
24272     std::vector<int,std::allocator< int > > *ptr = (std::vector<int,std::allocator< int > > *)0;
24273     res2 = swig::asptr(s_ipar, &ptr); if (!SWIG_IsOK(res2)) {
24274       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBFFParameter__ipar_set" "', argument " "2"" of type '" "std::vector< int,std::allocator< int > > const &""'"); }
24275      if (!ptr) {
24276       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBFFParameter__ipar_set" "', argument " "2"" of type '" "std::vector< int,std::allocator< int > > const &""'"); }
24277      arg2 = ptr; }  if (arg1) (arg1)->_ipar = *arg2; r_ans = R_NilValue; if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax);
24278   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFParameter__ipar_get(SEXP self,SEXP s_swig_copy)24279 SWIGEXPORT SEXP R_swig_OBFFParameter__ipar_get ( SEXP self, SEXP s_swig_copy) {
24280   std::vector< int,std::allocator< int > > *result = 0 ; OpenBabel::OBFFParameter *arg1 = (OpenBabel::OBFFParameter *) 0 ;
24281   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24282   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFParameter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24283     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFParameter__ipar_get" "', argument " "1"" of type '" "OpenBabel::OBFFParameter *""'");  }
24284    arg1 = reinterpret_cast< OpenBabel::OBFFParameter * >(argp1);
24285   result = (std::vector< int,std::allocator< int > > *) & ((arg1)->_ipar);
24286   r_ans = swig::from(static_cast< std::vector<int,std::allocator< int > > >(*result)); vmaxset(r_vmax);
24287   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFParameter__dpar_set(SEXP self,SEXP s_dpar)24288 SWIGEXPORT SEXP R_swig_OBFFParameter__dpar_set ( SEXP self, SEXP s_dpar) {
24289   OpenBabel::OBFFParameter *arg1 = (OpenBabel::OBFFParameter *) 0 ; std::vector< double,std::allocator< double > > *arg2 = 0 ;
24290   void *argp1 = 0 ; int res1 = 0 ; int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
24291   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFParameter, 0 |  0 );
24292   if (!SWIG_IsOK(res1)) {
24293     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFParameter__dpar_set" "', argument " "1"" of type '" "OpenBabel::OBFFParameter *""'");  }
24294    arg1 = reinterpret_cast< OpenBabel::OBFFParameter * >(argp1); {
24295     std::vector<double,std::allocator< double > > *ptr = (std::vector<double,std::allocator< double > > *)0;
24296     res2 = swig::asptr(s_dpar, &ptr); if (!SWIG_IsOK(res2)) {
24297       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBFFParameter__dpar_set" "', argument " "2"" of type '" "std::vector< double,std::allocator< double > > const &""'"); }
24298      if (!ptr) {
24299       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBFFParameter__dpar_set" "', argument " "2"" of type '" "std::vector< double,std::allocator< double > > const &""'"); }
24300      arg2 = ptr; }  if (arg1) (arg1)->_dpar = *arg2; r_ans = R_NilValue; if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax);
24301   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFParameter__dpar_get(SEXP self,SEXP s_swig_copy)24302 SWIGEXPORT SEXP R_swig_OBFFParameter__dpar_get ( SEXP self, SEXP s_swig_copy) {
24303   std::vector< double,std::allocator< double > > *result = 0 ; OpenBabel::OBFFParameter *arg1 = (OpenBabel::OBFFParameter *) 0 ;
24304   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24305   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFParameter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24306     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFParameter__dpar_get" "', argument " "1"" of type '" "OpenBabel::OBFFParameter *""'");  }
24307    arg1 = reinterpret_cast< OpenBabel::OBFFParameter * >(argp1);
24308   result = (std::vector< double,std::allocator< double > > *) & ((arg1)->_dpar);
24309   r_ans = swig::from(static_cast< std::vector<double,std::allocator< double > > >(*result)); vmaxset(r_vmax);
24310   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFParameter_clear(SEXP self)24311 SWIGEXPORT SEXP R_swig_OBFFParameter_clear ( SEXP self) { OpenBabel::OBFFParameter *arg1 = (OpenBabel::OBFFParameter *) 0 ;
24312   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24313   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFParameter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24314     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFParameter_clear" "', argument " "1"" of type '" "OpenBabel::OBFFParameter *""'");  }
24315    arg1 = reinterpret_cast< OpenBabel::OBFFParameter * >(argp1); (arg1)->clear(); r_ans = R_NilValue; vmaxset(r_vmax);
24316   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBFFParameter()24317 SWIGEXPORT SEXP R_swig_new_OBFFParameter ( ) { OpenBabel::OBFFParameter *result = 0 ; unsigned int r_nprotect = 0;
24318   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBFFParameter *)new OpenBabel::OBFFParameter();
24319   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBFFParameter, R_SWIG_OWNER |  0 );
24320   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBFFParameter(SEXP self)24321 SWIGEXPORT SEXP R_swig_delete_OBFFParameter ( SEXP self) { OpenBabel::OBFFParameter *arg1 = (OpenBabel::OBFFParameter *) 0 ;
24322   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24323   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFParameter, SWIG_POINTER_DISOWN |  0 );
24324   if (!SWIG_IsOK(res1)) {
24325     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBFFParameter" "', argument " "1"" of type '" "OpenBabel::OBFFParameter *""'");  }
24326    arg1 = reinterpret_cast< OpenBabel::OBFFParameter * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
24327   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBFFCalculation2_energy_set(SEXP self,SEXP s_energy)24328 SWIGEXPORT SEXP R_swig_OBFFCalculation2_energy_set ( SEXP self, SEXP s_energy) {
24329   OpenBabel::OBFFCalculation2 *arg1 = (OpenBabel::OBFFCalculation2 *) 0 ; double arg2 ; void *argp1 = 0 ; int res1 = 0 ;
24330   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24331   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFCalculation2, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24332     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFCalculation2_energy_set" "', argument " "1"" of type '" "OpenBabel::OBFFCalculation2 *""'");  }
24333    arg1 = reinterpret_cast< OpenBabel::OBFFCalculation2 * >(argp1); arg2 = static_cast< double >(REAL(s_energy)[0]);
24334   if (arg1) (arg1)->energy = arg2; r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFCalculation2_energy_get(SEXP self,SEXP s_swig_copy)24335 SWIGEXPORT SEXP R_swig_OBFFCalculation2_energy_get ( SEXP self, SEXP s_swig_copy) { double result;
24336   OpenBabel::OBFFCalculation2 *arg1 = (OpenBabel::OBFFCalculation2 *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24337   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24338   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFCalculation2, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24339     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFCalculation2_energy_get" "', argument " "1"" of type '" "OpenBabel::OBFFCalculation2 *""'");  }
24340    arg1 = reinterpret_cast< OpenBabel::OBFFCalculation2 * >(argp1); result = (double) ((arg1)->energy);
24341   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
24342   return r_ans; }
R_swig_OBFFCalculation2_a_set(SEXP self,SEXP s_a)24343 SWIGEXPORT SEXP R_swig_OBFFCalculation2_a_set ( SEXP self, SEXP s_a) {
24344   OpenBabel::OBFFCalculation2 *arg1 = (OpenBabel::OBFFCalculation2 *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
24345   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
24346   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFCalculation2, 0 |  0 );
24347   if (!SWIG_IsOK(res1)) {
24348     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFCalculation2_a_set" "', argument " "1"" of type '" "OpenBabel::OBFFCalculation2 *""'");  }
24349    arg1 = reinterpret_cast< OpenBabel::OBFFCalculation2 * >(argp1);
24350   res2 = SWIG_R_ConvertPtr(s_a, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res2)) {
24351     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBFFCalculation2_a_set" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
24352    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); if (arg1) (arg1)->a = arg2; r_ans = R_NilValue; vmaxset(r_vmax);
24353   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFCalculation2_a_get(SEXP self)24354 SWIGEXPORT SEXP R_swig_OBFFCalculation2_a_get ( SEXP self) { OpenBabel::OBAtom *result = 0 ;
24355   OpenBabel::OBFFCalculation2 *arg1 = (OpenBabel::OBFFCalculation2 *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24356   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24357   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFCalculation2, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24358     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFCalculation2_a_get" "', argument " "1"" of type '" "OpenBabel::OBFFCalculation2 *""'");  }
24359    arg1 = reinterpret_cast< OpenBabel::OBFFCalculation2 * >(argp1); result = (OpenBabel::OBAtom *) ((arg1)->a);
24360   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
24361   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFCalculation2_b_set(SEXP self,SEXP s_b)24362 SWIGEXPORT SEXP R_swig_OBFFCalculation2_b_set ( SEXP self, SEXP s_b) {
24363   OpenBabel::OBFFCalculation2 *arg1 = (OpenBabel::OBFFCalculation2 *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
24364   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
24365   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFCalculation2, 0 |  0 );
24366   if (!SWIG_IsOK(res1)) {
24367     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFCalculation2_b_set" "', argument " "1"" of type '" "OpenBabel::OBFFCalculation2 *""'");  }
24368    arg1 = reinterpret_cast< OpenBabel::OBFFCalculation2 * >(argp1);
24369   res2 = SWIG_R_ConvertPtr(s_b, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res2)) {
24370     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBFFCalculation2_b_set" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
24371    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); if (arg1) (arg1)->b = arg2; r_ans = R_NilValue; vmaxset(r_vmax);
24372   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFCalculation2_b_get(SEXP self)24373 SWIGEXPORT SEXP R_swig_OBFFCalculation2_b_get ( SEXP self) { OpenBabel::OBAtom *result = 0 ;
24374   OpenBabel::OBFFCalculation2 *arg1 = (OpenBabel::OBFFCalculation2 *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24375   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24376   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFCalculation2, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24377     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFCalculation2_b_get" "', argument " "1"" of type '" "OpenBabel::OBFFCalculation2 *""'");  }
24378    arg1 = reinterpret_cast< OpenBabel::OBFFCalculation2 * >(argp1); result = (OpenBabel::OBAtom *) ((arg1)->b);
24379   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
24380   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFCalculation2_idx_a_set(SEXP self,SEXP s_idx_a)24381 SWIGEXPORT SEXP R_swig_OBFFCalculation2_idx_a_set ( SEXP self, SEXP s_idx_a) {
24382   OpenBabel::OBFFCalculation2 *arg1 = (OpenBabel::OBFFCalculation2 *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
24383   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24384   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFCalculation2, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24385     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFCalculation2_idx_a_set" "', argument " "1"" of type '" "OpenBabel::OBFFCalculation2 *""'");  }
24386    arg1 = reinterpret_cast< OpenBabel::OBFFCalculation2 * >(argp1); arg2 = static_cast< int >(INTEGER(s_idx_a)[0]);
24387   if (arg1) (arg1)->idx_a = arg2; r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFCalculation2_idx_a_get(SEXP self,SEXP s_swig_copy)24388 SWIGEXPORT SEXP R_swig_OBFFCalculation2_idx_a_get ( SEXP self, SEXP s_swig_copy) { int result;
24389   OpenBabel::OBFFCalculation2 *arg1 = (OpenBabel::OBFFCalculation2 *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24390   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24391   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFCalculation2, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24392     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFCalculation2_idx_a_get" "', argument " "1"" of type '" "OpenBabel::OBFFCalculation2 *""'");  }
24393    arg1 = reinterpret_cast< OpenBabel::OBFFCalculation2 * >(argp1); result = (int) ((arg1)->idx_a);
24394   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFCalculation2_idx_b_set(SEXP self,SEXP s_idx_b)24395 SWIGEXPORT SEXP R_swig_OBFFCalculation2_idx_b_set ( SEXP self, SEXP s_idx_b) {
24396   OpenBabel::OBFFCalculation2 *arg1 = (OpenBabel::OBFFCalculation2 *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
24397   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24398   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFCalculation2, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24399     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFCalculation2_idx_b_set" "', argument " "1"" of type '" "OpenBabel::OBFFCalculation2 *""'");  }
24400    arg1 = reinterpret_cast< OpenBabel::OBFFCalculation2 * >(argp1); arg2 = static_cast< int >(INTEGER(s_idx_b)[0]);
24401   if (arg1) (arg1)->idx_b = arg2; r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFCalculation2_idx_b_get(SEXP self,SEXP s_swig_copy)24402 SWIGEXPORT SEXP R_swig_OBFFCalculation2_idx_b_get ( SEXP self, SEXP s_swig_copy) { int result;
24403   OpenBabel::OBFFCalculation2 *arg1 = (OpenBabel::OBFFCalculation2 *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24404   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24405   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFCalculation2, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24406     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFCalculation2_idx_b_get" "', argument " "1"" of type '" "OpenBabel::OBFFCalculation2 *""'");  }
24407    arg1 = reinterpret_cast< OpenBabel::OBFFCalculation2 * >(argp1); result = (int) ((arg1)->idx_b);
24408   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFCalculation2_pos_a_set(SEXP self,SEXP s_pos_a)24409 SWIGEXPORT SEXP R_swig_OBFFCalculation2_pos_a_set ( SEXP self, SEXP s_pos_a) {
24410   OpenBabel::OBFFCalculation2 *arg1 = (OpenBabel::OBFFCalculation2 *) 0 ; double *arg2 = (double *) 0 ; void *argp1 = 0 ;
24411   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24412   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFCalculation2, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24413     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFCalculation2_pos_a_set" "', argument " "1"" of type '" "OpenBabel::OBFFCalculation2 *""'");  }
24414    arg1 = reinterpret_cast< OpenBabel::OBFFCalculation2 * >(argp1); { { int _rswigi; int _rswiglen = LENGTH(s_pos_a);
24415       arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
24416         arg2[_rswigi] = REAL(s_pos_a)[_rswigi]; }  }  }  if (arg1) (arg1)->pos_a = arg2; r_ans = R_NilValue; free(arg2);
24417   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFCalculation2_pos_a_get(SEXP self)24418 SWIGEXPORT SEXP R_swig_OBFFCalculation2_pos_a_get ( SEXP self) { double *result = 0 ;
24419   OpenBabel::OBFFCalculation2 *arg1 = (OpenBabel::OBFFCalculation2 *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24420   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24421   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFCalculation2, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24422     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFCalculation2_pos_a_get" "', argument " "1"" of type '" "OpenBabel::OBFFCalculation2 *""'");  }
24423    arg1 = reinterpret_cast< OpenBabel::OBFFCalculation2 * >(argp1); result = (double *) ((arg1)->pos_a);
24424   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_double, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
24425   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFCalculation2_pos_b_set(SEXP self,SEXP s_pos_b)24426 SWIGEXPORT SEXP R_swig_OBFFCalculation2_pos_b_set ( SEXP self, SEXP s_pos_b) {
24427   OpenBabel::OBFFCalculation2 *arg1 = (OpenBabel::OBFFCalculation2 *) 0 ; double *arg2 = (double *) 0 ; void *argp1 = 0 ;
24428   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24429   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFCalculation2, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24430     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFCalculation2_pos_b_set" "', argument " "1"" of type '" "OpenBabel::OBFFCalculation2 *""'");  }
24431    arg1 = reinterpret_cast< OpenBabel::OBFFCalculation2 * >(argp1); { { int _rswigi; int _rswiglen = LENGTH(s_pos_b);
24432       arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
24433         arg2[_rswigi] = REAL(s_pos_b)[_rswigi]; }  }  }  if (arg1) (arg1)->pos_b = arg2; r_ans = R_NilValue; free(arg2);
24434   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFCalculation2_pos_b_get(SEXP self)24435 SWIGEXPORT SEXP R_swig_OBFFCalculation2_pos_b_get ( SEXP self) { double *result = 0 ;
24436   OpenBabel::OBFFCalculation2 *arg1 = (OpenBabel::OBFFCalculation2 *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24437   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24438   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFCalculation2, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24439     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFCalculation2_pos_b_get" "', argument " "1"" of type '" "OpenBabel::OBFFCalculation2 *""'");  }
24440    arg1 = reinterpret_cast< OpenBabel::OBFFCalculation2 * >(argp1); result = (double *) ((arg1)->pos_b);
24441   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_double, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
24442   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFCalculation2_force_a_set(SEXP self,SEXP s_force_a)24443 SWIGEXPORT SEXP R_swig_OBFFCalculation2_force_a_set ( SEXP self, SEXP s_force_a) {
24444   OpenBabel::OBFFCalculation2 *arg1 = (OpenBabel::OBFFCalculation2 *) 0 ; double *arg2 ; void *argp1 = 0 ; int res1 = 0 ;
24445   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24446   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFCalculation2, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24447     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFCalculation2_force_a_set" "', argument " "1"" of type '" "OpenBabel::OBFFCalculation2 *""'");  }
24448    arg1 = reinterpret_cast< OpenBabel::OBFFCalculation2 * >(argp1); { { int _rswigi; int _rswiglen = LENGTH(s_force_a);
24449       arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
24450         arg2[_rswigi] = REAL(s_force_a)[_rswigi]; }  }  }  { if (arg2) { size_t ii = 0;
24451       for (; ii < (size_t)3; ++ii) arg1->force_a[ii] = arg2[ii]; }  else {
24452       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in variable '""force_a""' of type '""double [3]""'"); }  }
24453    r_ans = R_NilValue; free(arg2); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFCalculation2_force_a_get(SEXP self,SEXP s_swig_copy)24454 SWIGEXPORT SEXP R_swig_OBFFCalculation2_force_a_get ( SEXP self, SEXP s_swig_copy) { double *result = 0 ;
24455   OpenBabel::OBFFCalculation2 *arg1 = (OpenBabel::OBFFCalculation2 *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24456   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24457   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFCalculation2, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24458     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFCalculation2_force_a_get" "', argument " "1"" of type '" "OpenBabel::OBFFCalculation2 *""'");  }
24459    arg1 = reinterpret_cast< OpenBabel::OBFFCalculation2 * >(argp1); result = (double *)(double *) ((arg1)->force_a);
24460   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_double, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
24461   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFCalculation2_force_b_set(SEXP self,SEXP s_force_b)24462 SWIGEXPORT SEXP R_swig_OBFFCalculation2_force_b_set ( SEXP self, SEXP s_force_b) {
24463   OpenBabel::OBFFCalculation2 *arg1 = (OpenBabel::OBFFCalculation2 *) 0 ; double *arg2 ; void *argp1 = 0 ; int res1 = 0 ;
24464   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24465   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFCalculation2, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24466     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFCalculation2_force_b_set" "', argument " "1"" of type '" "OpenBabel::OBFFCalculation2 *""'");  }
24467    arg1 = reinterpret_cast< OpenBabel::OBFFCalculation2 * >(argp1); { { int _rswigi; int _rswiglen = LENGTH(s_force_b);
24468       arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
24469         arg2[_rswigi] = REAL(s_force_b)[_rswigi]; }  }  }  { if (arg2) { size_t ii = 0;
24470       for (; ii < (size_t)3; ++ii) arg1->force_b[ii] = arg2[ii]; }  else {
24471       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in variable '""force_b""' of type '""double [3]""'"); }  }
24472    r_ans = R_NilValue; free(arg2); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFCalculation2_force_b_get(SEXP self,SEXP s_swig_copy)24473 SWIGEXPORT SEXP R_swig_OBFFCalculation2_force_b_get ( SEXP self, SEXP s_swig_copy) { double *result = 0 ;
24474   OpenBabel::OBFFCalculation2 *arg1 = (OpenBabel::OBFFCalculation2 *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24475   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24476   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFCalculation2, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24477     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFCalculation2_force_b_get" "', argument " "1"" of type '" "OpenBabel::OBFFCalculation2 *""'");  }
24478    arg1 = reinterpret_cast< OpenBabel::OBFFCalculation2 * >(argp1); result = (double *)(double *) ((arg1)->force_b);
24479   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_double, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
24480   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBFFCalculation2(SEXP self)24481 SWIGEXPORT SEXP R_swig_delete_OBFFCalculation2 ( SEXP self) {
24482   OpenBabel::OBFFCalculation2 *arg1 = (OpenBabel::OBFFCalculation2 *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24483   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24484   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFCalculation2, SWIG_POINTER_DISOWN |  0 );
24485   if (!SWIG_IsOK(res1)) {
24486     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBFFCalculation2" "', argument " "1"" of type '" "OpenBabel::OBFFCalculation2 *""'");  }
24487    arg1 = reinterpret_cast< OpenBabel::OBFFCalculation2 * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
24488   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBFFCalculation2_SetupPointers(SEXP self)24489 SWIGEXPORT SEXP R_swig_OBFFCalculation2_SetupPointers ( SEXP self) {
24490   OpenBabel::OBFFCalculation2 *arg1 = (OpenBabel::OBFFCalculation2 *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24491   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24492   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFCalculation2, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24493     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFCalculation2_SetupPointers" "', argument " "1"" of type '" "OpenBabel::OBFFCalculation2 *""'");  }
24494    arg1 = reinterpret_cast< OpenBabel::OBFFCalculation2 * >(argp1); (arg1)->SetupPointers(); r_ans = R_NilValue;
24495   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBFFCalculation2()24496 SWIGEXPORT SEXP R_swig_new_OBFFCalculation2 ( ) { OpenBabel::OBFFCalculation2 *result = 0 ; unsigned int r_nprotect = 0;
24497   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24498   result = (OpenBabel::OBFFCalculation2 *)new OpenBabel::OBFFCalculation2();
24499   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBFFCalculation2, R_SWIG_OWNER |  0 );
24500   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFCalculation3_c_set(SEXP self,SEXP s_c)24501 SWIGEXPORT SEXP R_swig_OBFFCalculation3_c_set ( SEXP self, SEXP s_c) {
24502   OpenBabel::OBFFCalculation3 *arg1 = (OpenBabel::OBFFCalculation3 *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
24503   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
24504   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFCalculation3, 0 |  0 );
24505   if (!SWIG_IsOK(res1)) {
24506     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFCalculation3_c_set" "', argument " "1"" of type '" "OpenBabel::OBFFCalculation3 *""'");  }
24507    arg1 = reinterpret_cast< OpenBabel::OBFFCalculation3 * >(argp1);
24508   res2 = SWIG_R_ConvertPtr(s_c, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res2)) {
24509     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBFFCalculation3_c_set" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
24510    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); if (arg1) (arg1)->c = arg2; r_ans = R_NilValue; vmaxset(r_vmax);
24511   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFCalculation3_c_get(SEXP self)24512 SWIGEXPORT SEXP R_swig_OBFFCalculation3_c_get ( SEXP self) { OpenBabel::OBAtom *result = 0 ;
24513   OpenBabel::OBFFCalculation3 *arg1 = (OpenBabel::OBFFCalculation3 *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24514   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24515   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFCalculation3, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24516     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFCalculation3_c_get" "', argument " "1"" of type '" "OpenBabel::OBFFCalculation3 *""'");  }
24517    arg1 = reinterpret_cast< OpenBabel::OBFFCalculation3 * >(argp1); result = (OpenBabel::OBAtom *) ((arg1)->c);
24518   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
24519   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFCalculation3_idx_c_set(SEXP self,SEXP s_idx_c)24520 SWIGEXPORT SEXP R_swig_OBFFCalculation3_idx_c_set ( SEXP self, SEXP s_idx_c) {
24521   OpenBabel::OBFFCalculation3 *arg1 = (OpenBabel::OBFFCalculation3 *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
24522   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24523   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFCalculation3, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24524     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFCalculation3_idx_c_set" "', argument " "1"" of type '" "OpenBabel::OBFFCalculation3 *""'");  }
24525    arg1 = reinterpret_cast< OpenBabel::OBFFCalculation3 * >(argp1); arg2 = static_cast< int >(INTEGER(s_idx_c)[0]);
24526   if (arg1) (arg1)->idx_c = arg2; r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFCalculation3_idx_c_get(SEXP self,SEXP s_swig_copy)24527 SWIGEXPORT SEXP R_swig_OBFFCalculation3_idx_c_get ( SEXP self, SEXP s_swig_copy) { int result;
24528   OpenBabel::OBFFCalculation3 *arg1 = (OpenBabel::OBFFCalculation3 *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24529   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24530   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFCalculation3, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24531     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFCalculation3_idx_c_get" "', argument " "1"" of type '" "OpenBabel::OBFFCalculation3 *""'");  }
24532    arg1 = reinterpret_cast< OpenBabel::OBFFCalculation3 * >(argp1); result = (int) ((arg1)->idx_c);
24533   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFCalculation3_pos_c_set(SEXP self,SEXP s_pos_c)24534 SWIGEXPORT SEXP R_swig_OBFFCalculation3_pos_c_set ( SEXP self, SEXP s_pos_c) {
24535   OpenBabel::OBFFCalculation3 *arg1 = (OpenBabel::OBFFCalculation3 *) 0 ; double *arg2 = (double *) 0 ; void *argp1 = 0 ;
24536   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24537   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFCalculation3, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24538     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFCalculation3_pos_c_set" "', argument " "1"" of type '" "OpenBabel::OBFFCalculation3 *""'");  }
24539    arg1 = reinterpret_cast< OpenBabel::OBFFCalculation3 * >(argp1); { { int _rswigi; int _rswiglen = LENGTH(s_pos_c);
24540       arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
24541         arg2[_rswigi] = REAL(s_pos_c)[_rswigi]; }  }  }  if (arg1) (arg1)->pos_c = arg2; r_ans = R_NilValue; free(arg2);
24542   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFCalculation3_pos_c_get(SEXP self)24543 SWIGEXPORT SEXP R_swig_OBFFCalculation3_pos_c_get ( SEXP self) { double *result = 0 ;
24544   OpenBabel::OBFFCalculation3 *arg1 = (OpenBabel::OBFFCalculation3 *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24545   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24546   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFCalculation3, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24547     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFCalculation3_pos_c_get" "', argument " "1"" of type '" "OpenBabel::OBFFCalculation3 *""'");  }
24548    arg1 = reinterpret_cast< OpenBabel::OBFFCalculation3 * >(argp1); result = (double *) ((arg1)->pos_c);
24549   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_double, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
24550   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFCalculation3_force_c_set(SEXP self,SEXP s_force_c)24551 SWIGEXPORT SEXP R_swig_OBFFCalculation3_force_c_set ( SEXP self, SEXP s_force_c) {
24552   OpenBabel::OBFFCalculation3 *arg1 = (OpenBabel::OBFFCalculation3 *) 0 ; double *arg2 ; void *argp1 = 0 ; int res1 = 0 ;
24553   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24554   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFCalculation3, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24555     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFCalculation3_force_c_set" "', argument " "1"" of type '" "OpenBabel::OBFFCalculation3 *""'");  }
24556    arg1 = reinterpret_cast< OpenBabel::OBFFCalculation3 * >(argp1); { { int _rswigi; int _rswiglen = LENGTH(s_force_c);
24557       arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
24558         arg2[_rswigi] = REAL(s_force_c)[_rswigi]; }  }  }  { if (arg2) { size_t ii = 0;
24559       for (; ii < (size_t)3; ++ii) arg1->force_c[ii] = arg2[ii]; }  else {
24560       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in variable '""force_c""' of type '""double [3]""'"); }  }
24561    r_ans = R_NilValue; free(arg2); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFCalculation3_force_c_get(SEXP self,SEXP s_swig_copy)24562 SWIGEXPORT SEXP R_swig_OBFFCalculation3_force_c_get ( SEXP self, SEXP s_swig_copy) { double *result = 0 ;
24563   OpenBabel::OBFFCalculation3 *arg1 = (OpenBabel::OBFFCalculation3 *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24564   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24565   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFCalculation3, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24566     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFCalculation3_force_c_get" "', argument " "1"" of type '" "OpenBabel::OBFFCalculation3 *""'");  }
24567    arg1 = reinterpret_cast< OpenBabel::OBFFCalculation3 * >(argp1); result = (double *)(double *) ((arg1)->force_c);
24568   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_double, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
24569   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBFFCalculation3(SEXP self)24570 SWIGEXPORT SEXP R_swig_delete_OBFFCalculation3 ( SEXP self) {
24571   OpenBabel::OBFFCalculation3 *arg1 = (OpenBabel::OBFFCalculation3 *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24572   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24573   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFCalculation3, SWIG_POINTER_DISOWN |  0 );
24574   if (!SWIG_IsOK(res1)) {
24575     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBFFCalculation3" "', argument " "1"" of type '" "OpenBabel::OBFFCalculation3 *""'");  }
24576    arg1 = reinterpret_cast< OpenBabel::OBFFCalculation3 * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
24577   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_new_OBFFCalculation3()24578 SWIGEXPORT SEXP R_swig_new_OBFFCalculation3 ( ) { OpenBabel::OBFFCalculation3 *result = 0 ; unsigned int r_nprotect = 0;
24579   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24580   result = (OpenBabel::OBFFCalculation3 *)new OpenBabel::OBFFCalculation3();
24581   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBFFCalculation3, R_SWIG_OWNER |  0 );
24582   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFCalculation4_d_set(SEXP self,SEXP s_d)24583 SWIGEXPORT SEXP R_swig_OBFFCalculation4_d_set ( SEXP self, SEXP s_d) {
24584   OpenBabel::OBFFCalculation4 *arg1 = (OpenBabel::OBFFCalculation4 *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
24585   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
24586   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFCalculation4, 0 |  0 );
24587   if (!SWIG_IsOK(res1)) {
24588     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFCalculation4_d_set" "', argument " "1"" of type '" "OpenBabel::OBFFCalculation4 *""'");  }
24589    arg1 = reinterpret_cast< OpenBabel::OBFFCalculation4 * >(argp1);
24590   res2 = SWIG_R_ConvertPtr(s_d, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res2)) {
24591     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBFFCalculation4_d_set" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
24592    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); if (arg1) (arg1)->d = arg2; r_ans = R_NilValue; vmaxset(r_vmax);
24593   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFCalculation4_d_get(SEXP self)24594 SWIGEXPORT SEXP R_swig_OBFFCalculation4_d_get ( SEXP self) { OpenBabel::OBAtom *result = 0 ;
24595   OpenBabel::OBFFCalculation4 *arg1 = (OpenBabel::OBFFCalculation4 *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24596   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24597   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFCalculation4, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24598     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFCalculation4_d_get" "', argument " "1"" of type '" "OpenBabel::OBFFCalculation4 *""'");  }
24599    arg1 = reinterpret_cast< OpenBabel::OBFFCalculation4 * >(argp1); result = (OpenBabel::OBAtom *) ((arg1)->d);
24600   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
24601   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFCalculation4_idx_d_set(SEXP self,SEXP s_idx_d)24602 SWIGEXPORT SEXP R_swig_OBFFCalculation4_idx_d_set ( SEXP self, SEXP s_idx_d) {
24603   OpenBabel::OBFFCalculation4 *arg1 = (OpenBabel::OBFFCalculation4 *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
24604   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24605   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFCalculation4, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24606     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFCalculation4_idx_d_set" "', argument " "1"" of type '" "OpenBabel::OBFFCalculation4 *""'");  }
24607    arg1 = reinterpret_cast< OpenBabel::OBFFCalculation4 * >(argp1); arg2 = static_cast< int >(INTEGER(s_idx_d)[0]);
24608   if (arg1) (arg1)->idx_d = arg2; r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFCalculation4_idx_d_get(SEXP self,SEXP s_swig_copy)24609 SWIGEXPORT SEXP R_swig_OBFFCalculation4_idx_d_get ( SEXP self, SEXP s_swig_copy) { int result;
24610   OpenBabel::OBFFCalculation4 *arg1 = (OpenBabel::OBFFCalculation4 *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24611   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24612   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFCalculation4, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24613     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFCalculation4_idx_d_get" "', argument " "1"" of type '" "OpenBabel::OBFFCalculation4 *""'");  }
24614    arg1 = reinterpret_cast< OpenBabel::OBFFCalculation4 * >(argp1); result = (int) ((arg1)->idx_d);
24615   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFCalculation4_pos_d_set(SEXP self,SEXP s_pos_d)24616 SWIGEXPORT SEXP R_swig_OBFFCalculation4_pos_d_set ( SEXP self, SEXP s_pos_d) {
24617   OpenBabel::OBFFCalculation4 *arg1 = (OpenBabel::OBFFCalculation4 *) 0 ; double *arg2 = (double *) 0 ; void *argp1 = 0 ;
24618   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24619   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFCalculation4, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24620     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFCalculation4_pos_d_set" "', argument " "1"" of type '" "OpenBabel::OBFFCalculation4 *""'");  }
24621    arg1 = reinterpret_cast< OpenBabel::OBFFCalculation4 * >(argp1); { { int _rswigi; int _rswiglen = LENGTH(s_pos_d);
24622       arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
24623         arg2[_rswigi] = REAL(s_pos_d)[_rswigi]; }  }  }  if (arg1) (arg1)->pos_d = arg2; r_ans = R_NilValue; free(arg2);
24624   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFCalculation4_pos_d_get(SEXP self)24625 SWIGEXPORT SEXP R_swig_OBFFCalculation4_pos_d_get ( SEXP self) { double *result = 0 ;
24626   OpenBabel::OBFFCalculation4 *arg1 = (OpenBabel::OBFFCalculation4 *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24627   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24628   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFCalculation4, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24629     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFCalculation4_pos_d_get" "', argument " "1"" of type '" "OpenBabel::OBFFCalculation4 *""'");  }
24630    arg1 = reinterpret_cast< OpenBabel::OBFFCalculation4 * >(argp1); result = (double *) ((arg1)->pos_d);
24631   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_double, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
24632   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFCalculation4_force_d_set(SEXP self,SEXP s_force_d)24633 SWIGEXPORT SEXP R_swig_OBFFCalculation4_force_d_set ( SEXP self, SEXP s_force_d) {
24634   OpenBabel::OBFFCalculation4 *arg1 = (OpenBabel::OBFFCalculation4 *) 0 ; double *arg2 ; void *argp1 = 0 ; int res1 = 0 ;
24635   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24636   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFCalculation4, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24637     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFCalculation4_force_d_set" "', argument " "1"" of type '" "OpenBabel::OBFFCalculation4 *""'");  }
24638    arg1 = reinterpret_cast< OpenBabel::OBFFCalculation4 * >(argp1); { { int _rswigi; int _rswiglen = LENGTH(s_force_d);
24639       arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
24640         arg2[_rswigi] = REAL(s_force_d)[_rswigi]; }  }  }  { if (arg2) { size_t ii = 0;
24641       for (; ii < (size_t)3; ++ii) arg1->force_d[ii] = arg2[ii]; }  else {
24642       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in variable '""force_d""' of type '""double [3]""'"); }  }
24643    r_ans = R_NilValue; free(arg2); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFCalculation4_force_d_get(SEXP self,SEXP s_swig_copy)24644 SWIGEXPORT SEXP R_swig_OBFFCalculation4_force_d_get ( SEXP self, SEXP s_swig_copy) { double *result = 0 ;
24645   OpenBabel::OBFFCalculation4 *arg1 = (OpenBabel::OBFFCalculation4 *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24646   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24647   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFCalculation4, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24648     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFCalculation4_force_d_get" "', argument " "1"" of type '" "OpenBabel::OBFFCalculation4 *""'");  }
24649    arg1 = reinterpret_cast< OpenBabel::OBFFCalculation4 * >(argp1); result = (double *)(double *) ((arg1)->force_d);
24650   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_double, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
24651   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBFFCalculation4(SEXP self)24652 SWIGEXPORT SEXP R_swig_delete_OBFFCalculation4 ( SEXP self) {
24653   OpenBabel::OBFFCalculation4 *arg1 = (OpenBabel::OBFFCalculation4 *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24654   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24655   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFCalculation4, SWIG_POINTER_DISOWN |  0 );
24656   if (!SWIG_IsOK(res1)) {
24657     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBFFCalculation4" "', argument " "1"" of type '" "OpenBabel::OBFFCalculation4 *""'");  }
24658    arg1 = reinterpret_cast< OpenBabel::OBFFCalculation4 * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
24659   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_new_OBFFCalculation4()24660 SWIGEXPORT SEXP R_swig_new_OBFFCalculation4 ( ) { OpenBabel::OBFFCalculation4 *result = 0 ; unsigned int r_nprotect = 0;
24661   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24662   result = (OpenBabel::OBFFCalculation4 *)new OpenBabel::OBFFCalculation4();
24663   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBFFCalculation4, R_SWIG_OWNER |  0 );
24664   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraint_factor_set(SEXP self,SEXP s_factor)24665 SWIGEXPORT SEXP R_swig_OBFFConstraint_factor_set ( SEXP self, SEXP s_factor) {
24666   OpenBabel::OBFFConstraint *arg1 = (OpenBabel::OBFFConstraint *) 0 ; double arg2 ; void *argp1 = 0 ; int res1 = 0 ;
24667   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24668   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraint, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24669     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraint_factor_set" "', argument " "1"" of type '" "OpenBabel::OBFFConstraint *""'");  }
24670    arg1 = reinterpret_cast< OpenBabel::OBFFConstraint * >(argp1); arg2 = static_cast< double >(REAL(s_factor)[0]);
24671   if (arg1) (arg1)->factor = arg2; r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraint_factor_get(SEXP self,SEXP s_swig_copy)24672 SWIGEXPORT SEXP R_swig_OBFFConstraint_factor_get ( SEXP self, SEXP s_swig_copy) { double result;
24673   OpenBabel::OBFFConstraint *arg1 = (OpenBabel::OBFFConstraint *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24674   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24675   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraint, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24676     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraint_factor_get" "', argument " "1"" of type '" "OpenBabel::OBFFConstraint *""'");  }
24677    arg1 = reinterpret_cast< OpenBabel::OBFFConstraint * >(argp1); result = (double) ((arg1)->factor);
24678   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
24679   return r_ans; }
R_swig_OBFFConstraint_constraint_value_set(SEXP self,SEXP s_constraint_value)24680 SWIGEXPORT SEXP R_swig_OBFFConstraint_constraint_value_set ( SEXP self, SEXP s_constraint_value) {
24681   OpenBabel::OBFFConstraint *arg1 = (OpenBabel::OBFFConstraint *) 0 ; double arg2 ; void *argp1 = 0 ; int res1 = 0 ;
24682   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24683   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraint, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24684     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraint_constraint_value_set" "', argument " "1"" of type '" "OpenBabel::OBFFConstraint *""'");  }
24685    arg1 = reinterpret_cast< OpenBabel::OBFFConstraint * >(argp1); arg2 = static_cast< double >(REAL(s_constraint_value)[0]);
24686   if (arg1) (arg1)->constraint_value = arg2; r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
24687   return r_ans; }
R_swig_OBFFConstraint_constraint_value_get(SEXP self,SEXP s_swig_copy)24688 SWIGEXPORT SEXP R_swig_OBFFConstraint_constraint_value_get ( SEXP self, SEXP s_swig_copy) { double result;
24689   OpenBabel::OBFFConstraint *arg1 = (OpenBabel::OBFFConstraint *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24690   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24691   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraint, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24692     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraint_constraint_value_get" "', argument " "1"" of type '" "OpenBabel::OBFFConstraint *""'");  }
24693    arg1 = reinterpret_cast< OpenBabel::OBFFConstraint * >(argp1); result = (double) ((arg1)->constraint_value);
24694   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
24695   return r_ans; }
R_swig_OBFFConstraint_rab0_set(SEXP self,SEXP s_rab0)24696 SWIGEXPORT SEXP R_swig_OBFFConstraint_rab0_set ( SEXP self, SEXP s_rab0) {
24697   OpenBabel::OBFFConstraint *arg1 = (OpenBabel::OBFFConstraint *) 0 ; double arg2 ; void *argp1 = 0 ; int res1 = 0 ;
24698   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24699   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraint, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24700     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraint_rab0_set" "', argument " "1"" of type '" "OpenBabel::OBFFConstraint *""'");  }
24701    arg1 = reinterpret_cast< OpenBabel::OBFFConstraint * >(argp1); arg2 = static_cast< double >(REAL(s_rab0)[0]);
24702   if (arg1) (arg1)->rab0 = arg2; r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraint_rab0_get(SEXP self,SEXP s_swig_copy)24703 SWIGEXPORT SEXP R_swig_OBFFConstraint_rab0_get ( SEXP self, SEXP s_swig_copy) { double result;
24704   OpenBabel::OBFFConstraint *arg1 = (OpenBabel::OBFFConstraint *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24705   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24706   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraint, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24707     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraint_rab0_get" "', argument " "1"" of type '" "OpenBabel::OBFFConstraint *""'");  }
24708    arg1 = reinterpret_cast< OpenBabel::OBFFConstraint * >(argp1); result = (double) ((arg1)->rab0);
24709   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
24710   return r_ans; }
R_swig_OBFFConstraint_rbc0_set(SEXP self,SEXP s_rbc0)24711 SWIGEXPORT SEXP R_swig_OBFFConstraint_rbc0_set ( SEXP self, SEXP s_rbc0) {
24712   OpenBabel::OBFFConstraint *arg1 = (OpenBabel::OBFFConstraint *) 0 ; double arg2 ; void *argp1 = 0 ; int res1 = 0 ;
24713   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24714   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraint, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24715     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraint_rbc0_set" "', argument " "1"" of type '" "OpenBabel::OBFFConstraint *""'");  }
24716    arg1 = reinterpret_cast< OpenBabel::OBFFConstraint * >(argp1); arg2 = static_cast< double >(REAL(s_rbc0)[0]);
24717   if (arg1) (arg1)->rbc0 = arg2; r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraint_rbc0_get(SEXP self,SEXP s_swig_copy)24718 SWIGEXPORT SEXP R_swig_OBFFConstraint_rbc0_get ( SEXP self, SEXP s_swig_copy) { double result;
24719   OpenBabel::OBFFConstraint *arg1 = (OpenBabel::OBFFConstraint *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24720   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24721   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraint, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24722     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraint_rbc0_get" "', argument " "1"" of type '" "OpenBabel::OBFFConstraint *""'");  }
24723    arg1 = reinterpret_cast< OpenBabel::OBFFConstraint * >(argp1); result = (double) ((arg1)->rbc0);
24724   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
24725   return r_ans; }
R_swig_OBFFConstraint_type_set(SEXP self,SEXP s_type)24726 SWIGEXPORT SEXP R_swig_OBFFConstraint_type_set ( SEXP self, SEXP s_type) {
24727   OpenBabel::OBFFConstraint *arg1 = (OpenBabel::OBFFConstraint *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
24728   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24729   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraint, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24730     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraint_type_set" "', argument " "1"" of type '" "OpenBabel::OBFFConstraint *""'");  }
24731    arg1 = reinterpret_cast< OpenBabel::OBFFConstraint * >(argp1); arg2 = static_cast< int >(INTEGER(s_type)[0]);
24732   if (arg1) (arg1)->type = arg2; r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraint_type_get(SEXP self,SEXP s_swig_copy)24733 SWIGEXPORT SEXP R_swig_OBFFConstraint_type_get ( SEXP self, SEXP s_swig_copy) { int result;
24734   OpenBabel::OBFFConstraint *arg1 = (OpenBabel::OBFFConstraint *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24735   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24736   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraint, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24737     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraint_type_get" "', argument " "1"" of type '" "OpenBabel::OBFFConstraint *""'");  }
24738    arg1 = reinterpret_cast< OpenBabel::OBFFConstraint * >(argp1); result = (int) ((arg1)->type);
24739   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraint_ia_set(SEXP self,SEXP s_ia)24740 SWIGEXPORT SEXP R_swig_OBFFConstraint_ia_set ( SEXP self, SEXP s_ia) {
24741   OpenBabel::OBFFConstraint *arg1 = (OpenBabel::OBFFConstraint *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
24742   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24743   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraint, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24744     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraint_ia_set" "', argument " "1"" of type '" "OpenBabel::OBFFConstraint *""'");  }
24745    arg1 = reinterpret_cast< OpenBabel::OBFFConstraint * >(argp1); arg2 = static_cast< int >(INTEGER(s_ia)[0]);
24746   if (arg1) (arg1)->ia = arg2; r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraint_ia_get(SEXP self,SEXP s_swig_copy)24747 SWIGEXPORT SEXP R_swig_OBFFConstraint_ia_get ( SEXP self, SEXP s_swig_copy) { int result;
24748   OpenBabel::OBFFConstraint *arg1 = (OpenBabel::OBFFConstraint *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24749   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24750   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraint, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24751     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraint_ia_get" "', argument " "1"" of type '" "OpenBabel::OBFFConstraint *""'");  }
24752    arg1 = reinterpret_cast< OpenBabel::OBFFConstraint * >(argp1); result = (int) ((arg1)->ia); r_ans = Rf_ScalarInteger(result);
24753   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraint_ib_set(SEXP self,SEXP s_ib)24754 SWIGEXPORT SEXP R_swig_OBFFConstraint_ib_set ( SEXP self, SEXP s_ib) {
24755   OpenBabel::OBFFConstraint *arg1 = (OpenBabel::OBFFConstraint *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
24756   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24757   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraint, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24758     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraint_ib_set" "', argument " "1"" of type '" "OpenBabel::OBFFConstraint *""'");  }
24759    arg1 = reinterpret_cast< OpenBabel::OBFFConstraint * >(argp1); arg2 = static_cast< int >(INTEGER(s_ib)[0]);
24760   if (arg1) (arg1)->ib = arg2; r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraint_ib_get(SEXP self,SEXP s_swig_copy)24761 SWIGEXPORT SEXP R_swig_OBFFConstraint_ib_get ( SEXP self, SEXP s_swig_copy) { int result;
24762   OpenBabel::OBFFConstraint *arg1 = (OpenBabel::OBFFConstraint *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24763   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24764   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraint, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24765     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraint_ib_get" "', argument " "1"" of type '" "OpenBabel::OBFFConstraint *""'");  }
24766    arg1 = reinterpret_cast< OpenBabel::OBFFConstraint * >(argp1); result = (int) ((arg1)->ib); r_ans = Rf_ScalarInteger(result);
24767   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraint_ic_set(SEXP self,SEXP s_ic)24768 SWIGEXPORT SEXP R_swig_OBFFConstraint_ic_set ( SEXP self, SEXP s_ic) {
24769   OpenBabel::OBFFConstraint *arg1 = (OpenBabel::OBFFConstraint *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
24770   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24771   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraint, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24772     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraint_ic_set" "', argument " "1"" of type '" "OpenBabel::OBFFConstraint *""'");  }
24773    arg1 = reinterpret_cast< OpenBabel::OBFFConstraint * >(argp1); arg2 = static_cast< int >(INTEGER(s_ic)[0]);
24774   if (arg1) (arg1)->ic = arg2; r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraint_ic_get(SEXP self,SEXP s_swig_copy)24775 SWIGEXPORT SEXP R_swig_OBFFConstraint_ic_get ( SEXP self, SEXP s_swig_copy) { int result;
24776   OpenBabel::OBFFConstraint *arg1 = (OpenBabel::OBFFConstraint *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24777   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24778   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraint, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24779     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraint_ic_get" "', argument " "1"" of type '" "OpenBabel::OBFFConstraint *""'");  }
24780    arg1 = reinterpret_cast< OpenBabel::OBFFConstraint * >(argp1); result = (int) ((arg1)->ic); r_ans = Rf_ScalarInteger(result);
24781   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraint_id_set(SEXP self,SEXP s_id)24782 SWIGEXPORT SEXP R_swig_OBFFConstraint_id_set ( SEXP self, SEXP s_id) {
24783   OpenBabel::OBFFConstraint *arg1 = (OpenBabel::OBFFConstraint *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
24784   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24785   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraint, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24786     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraint_id_set" "', argument " "1"" of type '" "OpenBabel::OBFFConstraint *""'");  }
24787    arg1 = reinterpret_cast< OpenBabel::OBFFConstraint * >(argp1); arg2 = static_cast< int >(INTEGER(s_id)[0]);
24788   if (arg1) (arg1)->id = arg2; r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraint_id_get(SEXP self,SEXP s_swig_copy)24789 SWIGEXPORT SEXP R_swig_OBFFConstraint_id_get ( SEXP self, SEXP s_swig_copy) { int result;
24790   OpenBabel::OBFFConstraint *arg1 = (OpenBabel::OBFFConstraint *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24791   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24792   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraint, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24793     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraint_id_get" "', argument " "1"" of type '" "OpenBabel::OBFFConstraint *""'");  }
24794    arg1 = reinterpret_cast< OpenBabel::OBFFConstraint * >(argp1); result = (int) ((arg1)->id); r_ans = Rf_ScalarInteger(result);
24795   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraint_a_set(SEXP self,SEXP s_a)24796 SWIGEXPORT SEXP R_swig_OBFFConstraint_a_set ( SEXP self, SEXP s_a) {
24797   OpenBabel::OBFFConstraint *arg1 = (OpenBabel::OBFFConstraint *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
24798   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
24799   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraint, 0 |  0 );
24800   if (!SWIG_IsOK(res1)) {
24801     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraint_a_set" "', argument " "1"" of type '" "OpenBabel::OBFFConstraint *""'");  }
24802    arg1 = reinterpret_cast< OpenBabel::OBFFConstraint * >(argp1);
24803   res2 = SWIG_R_ConvertPtr(s_a, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res2)) {
24804     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBFFConstraint_a_set" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
24805    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); if (arg1) (arg1)->a = arg2; r_ans = R_NilValue; vmaxset(r_vmax);
24806   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraint_a_get(SEXP self)24807 SWIGEXPORT SEXP R_swig_OBFFConstraint_a_get ( SEXP self) { OpenBabel::OBAtom *result = 0 ;
24808   OpenBabel::OBFFConstraint *arg1 = (OpenBabel::OBFFConstraint *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24809   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24810   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraint, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24811     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraint_a_get" "', argument " "1"" of type '" "OpenBabel::OBFFConstraint *""'");  }
24812    arg1 = reinterpret_cast< OpenBabel::OBFFConstraint * >(argp1); result = (OpenBabel::OBAtom *) ((arg1)->a);
24813   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
24814   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraint_b_set(SEXP self,SEXP s_b)24815 SWIGEXPORT SEXP R_swig_OBFFConstraint_b_set ( SEXP self, SEXP s_b) {
24816   OpenBabel::OBFFConstraint *arg1 = (OpenBabel::OBFFConstraint *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
24817   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
24818   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraint, 0 |  0 );
24819   if (!SWIG_IsOK(res1)) {
24820     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraint_b_set" "', argument " "1"" of type '" "OpenBabel::OBFFConstraint *""'");  }
24821    arg1 = reinterpret_cast< OpenBabel::OBFFConstraint * >(argp1);
24822   res2 = SWIG_R_ConvertPtr(s_b, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res2)) {
24823     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBFFConstraint_b_set" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
24824    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); if (arg1) (arg1)->b = arg2; r_ans = R_NilValue; vmaxset(r_vmax);
24825   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraint_b_get(SEXP self)24826 SWIGEXPORT SEXP R_swig_OBFFConstraint_b_get ( SEXP self) { OpenBabel::OBAtom *result = 0 ;
24827   OpenBabel::OBFFConstraint *arg1 = (OpenBabel::OBFFConstraint *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24828   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24829   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraint, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24830     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraint_b_get" "', argument " "1"" of type '" "OpenBabel::OBFFConstraint *""'");  }
24831    arg1 = reinterpret_cast< OpenBabel::OBFFConstraint * >(argp1); result = (OpenBabel::OBAtom *) ((arg1)->b);
24832   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
24833   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraint_c_set(SEXP self,SEXP s_c)24834 SWIGEXPORT SEXP R_swig_OBFFConstraint_c_set ( SEXP self, SEXP s_c) {
24835   OpenBabel::OBFFConstraint *arg1 = (OpenBabel::OBFFConstraint *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
24836   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
24837   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraint, 0 |  0 );
24838   if (!SWIG_IsOK(res1)) {
24839     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraint_c_set" "', argument " "1"" of type '" "OpenBabel::OBFFConstraint *""'");  }
24840    arg1 = reinterpret_cast< OpenBabel::OBFFConstraint * >(argp1);
24841   res2 = SWIG_R_ConvertPtr(s_c, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res2)) {
24842     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBFFConstraint_c_set" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
24843    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); if (arg1) (arg1)->c = arg2; r_ans = R_NilValue; vmaxset(r_vmax);
24844   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraint_c_get(SEXP self)24845 SWIGEXPORT SEXP R_swig_OBFFConstraint_c_get ( SEXP self) { OpenBabel::OBAtom *result = 0 ;
24846   OpenBabel::OBFFConstraint *arg1 = (OpenBabel::OBFFConstraint *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24847   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24848   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraint, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24849     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraint_c_get" "', argument " "1"" of type '" "OpenBabel::OBFFConstraint *""'");  }
24850    arg1 = reinterpret_cast< OpenBabel::OBFFConstraint * >(argp1); result = (OpenBabel::OBAtom *) ((arg1)->c);
24851   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
24852   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraint_d_set(SEXP self,SEXP s_d)24853 SWIGEXPORT SEXP R_swig_OBFFConstraint_d_set ( SEXP self, SEXP s_d) {
24854   OpenBabel::OBFFConstraint *arg1 = (OpenBabel::OBFFConstraint *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
24855   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
24856   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraint, 0 |  0 );
24857   if (!SWIG_IsOK(res1)) {
24858     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraint_d_set" "', argument " "1"" of type '" "OpenBabel::OBFFConstraint *""'");  }
24859    arg1 = reinterpret_cast< OpenBabel::OBFFConstraint * >(argp1);
24860   res2 = SWIG_R_ConvertPtr(s_d, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res2)) {
24861     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBFFConstraint_d_set" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
24862    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); if (arg1) (arg1)->d = arg2; r_ans = R_NilValue; vmaxset(r_vmax);
24863   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraint_d_get(SEXP self)24864 SWIGEXPORT SEXP R_swig_OBFFConstraint_d_get ( SEXP self) { OpenBabel::OBAtom *result = 0 ;
24865   OpenBabel::OBFFConstraint *arg1 = (OpenBabel::OBFFConstraint *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24866   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24867   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraint, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24868     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraint_d_get" "', argument " "1"" of type '" "OpenBabel::OBFFConstraint *""'");  }
24869    arg1 = reinterpret_cast< OpenBabel::OBFFConstraint * >(argp1); result = (OpenBabel::OBAtom *) ((arg1)->d);
24870   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
24871   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraint_grada_set(SEXP self,SEXP s_grada)24872 SWIGEXPORT SEXP R_swig_OBFFConstraint_grada_set ( SEXP self, SEXP s_grada) {
24873   OpenBabel::OBFFConstraint *arg1 = (OpenBabel::OBFFConstraint *) 0 ; OpenBabel::vector3 *arg2 = 0 ; void *argp1 = 0 ;
24874   int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
24875   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraint, 0 |  0 );
24876   if (!SWIG_IsOK(res1)) {
24877     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraint_grada_set" "', argument " "1"" of type '" "OpenBabel::OBFFConstraint *""'");  }
24878    arg1 = reinterpret_cast< OpenBabel::OBFFConstraint * >(argp1);
24879   res2 = SWIG_R_ConvertPtr(s_grada, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
24880     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBFFConstraint_grada_set" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'");  }
24881    if (!argp2) {
24882     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBFFConstraint_grada_set" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'"); }
24883    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2); if (arg1) (arg1)->grada = *arg2; r_ans = R_NilValue; vmaxset(r_vmax);
24884   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraint_grada_get(SEXP self,SEXP s_swig_copy)24885 SWIGEXPORT SEXP R_swig_OBFFConstraint_grada_get ( SEXP self, SEXP s_swig_copy) { OpenBabel::vector3 *result = 0 ;
24886   OpenBabel::OBFFConstraint *arg1 = (OpenBabel::OBFFConstraint *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24887   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24888   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraint, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24889     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraint_grada_get" "', argument " "1"" of type '" "OpenBabel::OBFFConstraint *""'");  }
24890    arg1 = reinterpret_cast< OpenBabel::OBFFConstraint * >(argp1); result = (OpenBabel::vector3 *) & ((arg1)->grada);
24891   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__vector3, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
24892   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraint_gradb_set(SEXP self,SEXP s_gradb)24893 SWIGEXPORT SEXP R_swig_OBFFConstraint_gradb_set ( SEXP self, SEXP s_gradb) {
24894   OpenBabel::OBFFConstraint *arg1 = (OpenBabel::OBFFConstraint *) 0 ; OpenBabel::vector3 *arg2 = 0 ; void *argp1 = 0 ;
24895   int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
24896   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraint, 0 |  0 );
24897   if (!SWIG_IsOK(res1)) {
24898     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraint_gradb_set" "', argument " "1"" of type '" "OpenBabel::OBFFConstraint *""'");  }
24899    arg1 = reinterpret_cast< OpenBabel::OBFFConstraint * >(argp1);
24900   res2 = SWIG_R_ConvertPtr(s_gradb, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
24901     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBFFConstraint_gradb_set" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'");  }
24902    if (!argp2) {
24903     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBFFConstraint_gradb_set" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'"); }
24904    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2); if (arg1) (arg1)->gradb = *arg2; r_ans = R_NilValue; vmaxset(r_vmax);
24905   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraint_gradb_get(SEXP self,SEXP s_swig_copy)24906 SWIGEXPORT SEXP R_swig_OBFFConstraint_gradb_get ( SEXP self, SEXP s_swig_copy) { OpenBabel::vector3 *result = 0 ;
24907   OpenBabel::OBFFConstraint *arg1 = (OpenBabel::OBFFConstraint *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24908   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24909   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraint, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24910     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraint_gradb_get" "', argument " "1"" of type '" "OpenBabel::OBFFConstraint *""'");  }
24911    arg1 = reinterpret_cast< OpenBabel::OBFFConstraint * >(argp1); result = (OpenBabel::vector3 *) & ((arg1)->gradb);
24912   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__vector3, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
24913   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraint_gradc_set(SEXP self,SEXP s_gradc)24914 SWIGEXPORT SEXP R_swig_OBFFConstraint_gradc_set ( SEXP self, SEXP s_gradc) {
24915   OpenBabel::OBFFConstraint *arg1 = (OpenBabel::OBFFConstraint *) 0 ; OpenBabel::vector3 *arg2 = 0 ; void *argp1 = 0 ;
24916   int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
24917   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraint, 0 |  0 );
24918   if (!SWIG_IsOK(res1)) {
24919     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraint_gradc_set" "', argument " "1"" of type '" "OpenBabel::OBFFConstraint *""'");  }
24920    arg1 = reinterpret_cast< OpenBabel::OBFFConstraint * >(argp1);
24921   res2 = SWIG_R_ConvertPtr(s_gradc, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
24922     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBFFConstraint_gradc_set" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'");  }
24923    if (!argp2) {
24924     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBFFConstraint_gradc_set" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'"); }
24925    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2); if (arg1) (arg1)->gradc = *arg2; r_ans = R_NilValue; vmaxset(r_vmax);
24926   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraint_gradc_get(SEXP self,SEXP s_swig_copy)24927 SWIGEXPORT SEXP R_swig_OBFFConstraint_gradc_get ( SEXP self, SEXP s_swig_copy) { OpenBabel::vector3 *result = 0 ;
24928   OpenBabel::OBFFConstraint *arg1 = (OpenBabel::OBFFConstraint *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24929   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24930   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraint, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24931     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraint_gradc_get" "', argument " "1"" of type '" "OpenBabel::OBFFConstraint *""'");  }
24932    arg1 = reinterpret_cast< OpenBabel::OBFFConstraint * >(argp1); result = (OpenBabel::vector3 *) & ((arg1)->gradc);
24933   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__vector3, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
24934   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraint_gradd_set(SEXP self,SEXP s_gradd)24935 SWIGEXPORT SEXP R_swig_OBFFConstraint_gradd_set ( SEXP self, SEXP s_gradd) {
24936   OpenBabel::OBFFConstraint *arg1 = (OpenBabel::OBFFConstraint *) 0 ; OpenBabel::vector3 *arg2 = 0 ; void *argp1 = 0 ;
24937   int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
24938   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraint, 0 |  0 );
24939   if (!SWIG_IsOK(res1)) {
24940     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraint_gradd_set" "', argument " "1"" of type '" "OpenBabel::OBFFConstraint *""'");  }
24941    arg1 = reinterpret_cast< OpenBabel::OBFFConstraint * >(argp1);
24942   res2 = SWIG_R_ConvertPtr(s_gradd, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
24943     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBFFConstraint_gradd_set" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'");  }
24944    if (!argp2) {
24945     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBFFConstraint_gradd_set" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'"); }
24946    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2); if (arg1) (arg1)->gradd = *arg2; r_ans = R_NilValue; vmaxset(r_vmax);
24947   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraint_gradd_get(SEXP self,SEXP s_swig_copy)24948 SWIGEXPORT SEXP R_swig_OBFFConstraint_gradd_get ( SEXP self, SEXP s_swig_copy) { OpenBabel::vector3 *result = 0 ;
24949   OpenBabel::OBFFConstraint *arg1 = (OpenBabel::OBFFConstraint *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24950   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24951   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraint, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24952     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraint_gradd_get" "', argument " "1"" of type '" "OpenBabel::OBFFConstraint *""'");  }
24953    arg1 = reinterpret_cast< OpenBabel::OBFFConstraint * >(argp1); result = (OpenBabel::vector3 *) & ((arg1)->gradd);
24954   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__vector3, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
24955   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBFFConstraint()24956 SWIGEXPORT SEXP R_swig_new_OBFFConstraint ( ) { OpenBabel::OBFFConstraint *result = 0 ; unsigned int r_nprotect = 0;
24957   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBFFConstraint *)new OpenBabel::OBFFConstraint();
24958   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBFFConstraint, R_SWIG_OWNER |  0 );
24959   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBFFConstraint(SEXP self)24960 SWIGEXPORT SEXP R_swig_delete_OBFFConstraint ( SEXP self) { OpenBabel::OBFFConstraint *arg1 = (OpenBabel::OBFFConstraint *) 0 ;
24961   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24962   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraint, SWIG_POINTER_DISOWN |  0 );
24963   if (!SWIG_IsOK(res1)) {
24964     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBFFConstraint" "', argument " "1"" of type '" "OpenBabel::OBFFConstraint *""'");  }
24965    arg1 = reinterpret_cast< OpenBabel::OBFFConstraint * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
24966   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBFFConstraint_GetGradient(SEXP self,SEXP a,SEXP s_swig_copy)24967 SWIGEXPORT SEXP R_swig_OBFFConstraint_GetGradient ( SEXP self, SEXP a, SEXP s_swig_copy) { OpenBabel::vector3 result;
24968   OpenBabel::OBFFConstraint *arg1 = (OpenBabel::OBFFConstraint *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
24969   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24970   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraint, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24971     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraint_GetGradient" "', argument " "1"" of type '" "OpenBabel::OBFFConstraint *""'");  }
24972    arg1 = reinterpret_cast< OpenBabel::OBFFConstraint * >(argp1); arg2 = static_cast< int >(INTEGER(a)[0]);
24973   result = (arg1)->GetGradient(arg2);
24974   r_ans = SWIG_R_NewPointerObj((new OpenBabel::vector3(static_cast< const OpenBabel::vector3& >(result))), SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_OWN |  0 );
24975   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBFFConstraints()24976 SWIGEXPORT SEXP R_swig_new_OBFFConstraints ( ) { OpenBabel::OBFFConstraints *result = 0 ; unsigned int r_nprotect = 0;
24977   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24978   result = (OpenBabel::OBFFConstraints *)new OpenBabel::OBFFConstraints();
24979   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBFFConstraints, R_SWIG_OWNER |  0 );
24980   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBFFConstraints(SEXP self)24981 SWIGEXPORT SEXP R_swig_delete_OBFFConstraints ( SEXP self) {
24982   OpenBabel::OBFFConstraints *arg1 = (OpenBabel::OBFFConstraints *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24983   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24984   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraints, SWIG_POINTER_DISOWN |  0 );
24985   if (!SWIG_IsOK(res1)) {
24986     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBFFConstraints" "', argument " "1"" of type '" "OpenBabel::OBFFConstraints *""'");  }
24987    arg1 = reinterpret_cast< OpenBabel::OBFFConstraints * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
24988   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBFFConstraints_Clear(SEXP self)24989 SWIGEXPORT SEXP R_swig_OBFFConstraints_Clear ( SEXP self) {
24990   OpenBabel::OBFFConstraints *arg1 = (OpenBabel::OBFFConstraints *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24991   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24992   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraints, 0 |  0 ); if (!SWIG_IsOK(res1)) {
24993     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraints_Clear" "', argument " "1"" of type '" "OpenBabel::OBFFConstraints *""'");  }
24994    arg1 = reinterpret_cast< OpenBabel::OBFFConstraints * >(argp1); (arg1)->Clear(); r_ans = R_NilValue; vmaxset(r_vmax);
24995   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraints_GetConstraintEnergy(SEXP self,SEXP s_swig_copy)24996 SWIGEXPORT SEXP R_swig_OBFFConstraints_GetConstraintEnergy ( SEXP self, SEXP s_swig_copy) { double result;
24997   OpenBabel::OBFFConstraints *arg1 = (OpenBabel::OBFFConstraints *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
24998   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
24999   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraints, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25000     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraints_GetConstraintEnergy" "', argument " "1"" of type '" "OpenBabel::OBFFConstraints *""'");  }
25001    arg1 = reinterpret_cast< OpenBabel::OBFFConstraints * >(argp1); result = (double)(arg1)->GetConstraintEnergy();
25002   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
25003   return r_ans; }
R_swig_OBFFConstraints_GetGradient(SEXP self,SEXP a,SEXP s_swig_copy)25004 SWIGEXPORT SEXP R_swig_OBFFConstraints_GetGradient ( SEXP self, SEXP a, SEXP s_swig_copy) { OpenBabel::vector3 result;
25005   OpenBabel::OBFFConstraints *arg1 = (OpenBabel::OBFFConstraints *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
25006   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25007   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraints, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25008     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraints_GetGradient" "', argument " "1"" of type '" "OpenBabel::OBFFConstraints *""'");  }
25009    arg1 = reinterpret_cast< OpenBabel::OBFFConstraints * >(argp1); arg2 = static_cast< int >(INTEGER(a)[0]);
25010   result = (arg1)->GetGradient(arg2);
25011   r_ans = SWIG_R_NewPointerObj((new OpenBabel::vector3(static_cast< const OpenBabel::vector3& >(result))), SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_OWN |  0 );
25012   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraints_Setup(SEXP self,SEXP mol)25013 SWIGEXPORT SEXP R_swig_OBFFConstraints_Setup ( SEXP self, SEXP mol) {
25014   OpenBabel::OBFFConstraints *arg1 = (OpenBabel::OBFFConstraints *) 0 ; OpenBabel::OBMol *arg2 = 0 ; void *argp1 = 0 ;
25015   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
25016   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraints, 0 |  0 );
25017   if (!SWIG_IsOK(res1)) {
25018     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraints_Setup" "', argument " "1"" of type '" "OpenBabel::OBFFConstraints *""'");  }
25019    arg1 = reinterpret_cast< OpenBabel::OBFFConstraints * >(argp1);
25020   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
25021     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBFFConstraints_Setup" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
25022    if (!argp2) {
25023     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBFFConstraints_Setup" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
25024    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); (arg1)->Setup(*arg2); r_ans = R_NilValue; vmaxset(r_vmax);
25025   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraints_SetFactor(SEXP self,SEXP factor)25026 SWIGEXPORT SEXP R_swig_OBFFConstraints_SetFactor ( SEXP self, SEXP factor) {
25027   OpenBabel::OBFFConstraints *arg1 = (OpenBabel::OBFFConstraints *) 0 ; double arg2 ; void *argp1 = 0 ; int res1 = 0 ;
25028   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25029   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraints, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25030     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraints_SetFactor" "', argument " "1"" of type '" "OpenBabel::OBFFConstraints *""'");  }
25031    arg1 = reinterpret_cast< OpenBabel::OBFFConstraints * >(argp1); arg2 = static_cast< double >(REAL(factor)[0]);
25032   (arg1)->SetFactor(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraints_AddIgnore(SEXP self,SEXP a)25033 SWIGEXPORT SEXP R_swig_OBFFConstraints_AddIgnore ( SEXP self, SEXP a) {
25034   OpenBabel::OBFFConstraints *arg1 = (OpenBabel::OBFFConstraints *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
25035   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25036   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraints, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25037     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraints_AddIgnore" "', argument " "1"" of type '" "OpenBabel::OBFFConstraints *""'");  }
25038    arg1 = reinterpret_cast< OpenBabel::OBFFConstraints * >(argp1); arg2 = static_cast< int >(INTEGER(a)[0]);
25039   (arg1)->AddIgnore(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraints_AddAtomConstraint(SEXP self,SEXP a)25040 SWIGEXPORT SEXP R_swig_OBFFConstraints_AddAtomConstraint ( SEXP self, SEXP a) {
25041   OpenBabel::OBFFConstraints *arg1 = (OpenBabel::OBFFConstraints *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
25042   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25043   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraints, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25044     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraints_AddAtomConstraint" "', argument " "1"" of type '" "OpenBabel::OBFFConstraints *""'");  }
25045    arg1 = reinterpret_cast< OpenBabel::OBFFConstraints * >(argp1); arg2 = static_cast< int >(INTEGER(a)[0]);
25046   (arg1)->AddAtomConstraint(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraints_AddAtomXConstraint(SEXP self,SEXP a)25047 SWIGEXPORT SEXP R_swig_OBFFConstraints_AddAtomXConstraint ( SEXP self, SEXP a) {
25048   OpenBabel::OBFFConstraints *arg1 = (OpenBabel::OBFFConstraints *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
25049   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25050   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraints, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25051     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraints_AddAtomXConstraint" "', argument " "1"" of type '" "OpenBabel::OBFFConstraints *""'");  }
25052    arg1 = reinterpret_cast< OpenBabel::OBFFConstraints * >(argp1); arg2 = static_cast< int >(INTEGER(a)[0]);
25053   (arg1)->AddAtomXConstraint(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
25054   return r_ans; }
R_swig_OBFFConstraints_AddAtomYConstraint(SEXP self,SEXP a)25055 SWIGEXPORT SEXP R_swig_OBFFConstraints_AddAtomYConstraint ( SEXP self, SEXP a) {
25056   OpenBabel::OBFFConstraints *arg1 = (OpenBabel::OBFFConstraints *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
25057   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25058   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraints, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25059     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraints_AddAtomYConstraint" "', argument " "1"" of type '" "OpenBabel::OBFFConstraints *""'");  }
25060    arg1 = reinterpret_cast< OpenBabel::OBFFConstraints * >(argp1); arg2 = static_cast< int >(INTEGER(a)[0]);
25061   (arg1)->AddAtomYConstraint(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
25062   return r_ans; }
R_swig_OBFFConstraints_AddAtomZConstraint(SEXP self,SEXP a)25063 SWIGEXPORT SEXP R_swig_OBFFConstraints_AddAtomZConstraint ( SEXP self, SEXP a) {
25064   OpenBabel::OBFFConstraints *arg1 = (OpenBabel::OBFFConstraints *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
25065   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25066   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraints, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25067     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraints_AddAtomZConstraint" "', argument " "1"" of type '" "OpenBabel::OBFFConstraints *""'");  }
25068    arg1 = reinterpret_cast< OpenBabel::OBFFConstraints * >(argp1); arg2 = static_cast< int >(INTEGER(a)[0]);
25069   (arg1)->AddAtomZConstraint(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
25070   return r_ans; }
R_swig_OBFFConstraints_AddDistanceConstraint(SEXP self,SEXP a,SEXP b,SEXP length)25071 SWIGEXPORT SEXP R_swig_OBFFConstraints_AddDistanceConstraint ( SEXP self, SEXP a, SEXP b, SEXP length) {
25072   OpenBabel::OBFFConstraints *arg1 = (OpenBabel::OBFFConstraints *) 0 ; int arg2 ; int arg3 ; double arg4 ; void *argp1 = 0 ;
25073   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25074   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraints, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25075     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraints_AddDistanceConstraint" "', argument " "1"" of type '" "OpenBabel::OBFFConstraints *""'");  }
25076    arg1 = reinterpret_cast< OpenBabel::OBFFConstraints * >(argp1); arg2 = static_cast< int >(INTEGER(a)[0]);
25077   arg3 = static_cast< int >(INTEGER(b)[0]); arg4 = static_cast< double >(REAL(length)[0]);
25078   (arg1)->AddDistanceConstraint(arg2,arg3,arg4); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
25079   return r_ans; }
R_swig_OBFFConstraints_AddAngleConstraint(SEXP self,SEXP a,SEXP b,SEXP c,SEXP angle)25080 SWIGEXPORT SEXP R_swig_OBFFConstraints_AddAngleConstraint ( SEXP self, SEXP a, SEXP b, SEXP c, SEXP angle) {
25081   OpenBabel::OBFFConstraints *arg1 = (OpenBabel::OBFFConstraints *) 0 ; int arg2 ; int arg3 ; int arg4 ; double arg5 ;
25082   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25083   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraints, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25084     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraints_AddAngleConstraint" "', argument " "1"" of type '" "OpenBabel::OBFFConstraints *""'");  }
25085    arg1 = reinterpret_cast< OpenBabel::OBFFConstraints * >(argp1); arg2 = static_cast< int >(INTEGER(a)[0]);
25086   arg3 = static_cast< int >(INTEGER(b)[0]); arg4 = static_cast< int >(INTEGER(c)[0]);
25087   arg5 = static_cast< double >(REAL(angle)[0]); (arg1)->AddAngleConstraint(arg2,arg3,arg4,arg5); r_ans = R_NilValue;
25088   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraints_AddTorsionConstraint(SEXP self,SEXP a,SEXP b,SEXP c,SEXP d,SEXP torsion)25089 SWIGEXPORT SEXP R_swig_OBFFConstraints_AddTorsionConstraint ( SEXP self, SEXP a, SEXP b, SEXP c, SEXP d, SEXP torsion) {
25090   OpenBabel::OBFFConstraints *arg1 = (OpenBabel::OBFFConstraints *) 0 ; int arg2 ; int arg3 ; int arg4 ; int arg5 ;
25091   double arg6 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
25092   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraints, 0 |  0 );
25093   if (!SWIG_IsOK(res1)) {
25094     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraints_AddTorsionConstraint" "', argument " "1"" of type '" "OpenBabel::OBFFConstraints *""'");  }
25095    arg1 = reinterpret_cast< OpenBabel::OBFFConstraints * >(argp1); arg2 = static_cast< int >(INTEGER(a)[0]);
25096   arg3 = static_cast< int >(INTEGER(b)[0]); arg4 = static_cast< int >(INTEGER(c)[0]); arg5 = static_cast< int >(INTEGER(d)[0]);
25097   arg6 = static_cast< double >(REAL(torsion)[0]); (arg1)->AddTorsionConstraint(arg2,arg3,arg4,arg5,arg6); r_ans = R_NilValue;
25098   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraints_DeleteConstraint(SEXP self,SEXP index)25099 SWIGEXPORT SEXP R_swig_OBFFConstraints_DeleteConstraint ( SEXP self, SEXP index) {
25100   OpenBabel::OBFFConstraints *arg1 = (OpenBabel::OBFFConstraints *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
25101   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25102   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraints, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25103     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraints_DeleteConstraint" "', argument " "1"" of type '" "OpenBabel::OBFFConstraints *""'");  }
25104    arg1 = reinterpret_cast< OpenBabel::OBFFConstraints * >(argp1); arg2 = static_cast< int >(INTEGER(index)[0]);
25105   (arg1)->DeleteConstraint(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraints_GetFactor(SEXP self,SEXP s_swig_copy)25106 SWIGEXPORT SEXP R_swig_OBFFConstraints_GetFactor ( SEXP self, SEXP s_swig_copy) { double result;
25107   OpenBabel::OBFFConstraints *arg1 = (OpenBabel::OBFFConstraints *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
25108   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25109   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraints, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25110     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraints_GetFactor" "', argument " "1"" of type '" "OpenBabel::OBFFConstraints *""'");  }
25111    arg1 = reinterpret_cast< OpenBabel::OBFFConstraints * >(argp1); result = (double)(arg1)->GetFactor();
25112   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
25113   return r_ans; }
R_swig_OBFFConstraints_Size(SEXP self,SEXP s_swig_copy)25114 SWIGEXPORT SEXP R_swig_OBFFConstraints_Size ( SEXP self, SEXP s_swig_copy) { int result;
25115   OpenBabel::OBFFConstraints *arg1 = (OpenBabel::OBFFConstraints *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
25116   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25117   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraints, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25118     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraints_Size" "', argument " "1"" of type '" "OpenBabel::OBFFConstraints const *""'");  }
25119    arg1 = reinterpret_cast< OpenBabel::OBFFConstraints * >(argp1);
25120   result = (int)((OpenBabel::OBFFConstraints const *)arg1)->Size(); r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax);
25121   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraints_GetConstraintType(SEXP self,SEXP index,SEXP s_swig_copy)25122 SWIGEXPORT SEXP R_swig_OBFFConstraints_GetConstraintType ( SEXP self, SEXP index, SEXP s_swig_copy) { int result;
25123   OpenBabel::OBFFConstraints *arg1 = (OpenBabel::OBFFConstraints *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
25124   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25125   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraints, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25126     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraints_GetConstraintType" "', argument " "1"" of type '" "OpenBabel::OBFFConstraints const *""'");  }
25127    arg1 = reinterpret_cast< OpenBabel::OBFFConstraints * >(argp1); arg2 = static_cast< int >(INTEGER(index)[0]);
25128   result = (int)((OpenBabel::OBFFConstraints const *)arg1)->GetConstraintType(arg2); r_ans = Rf_ScalarInteger(result);
25129   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraints_GetConstraintValue(SEXP self,SEXP index,SEXP s_swig_copy)25130 SWIGEXPORT SEXP R_swig_OBFFConstraints_GetConstraintValue ( SEXP self, SEXP index, SEXP s_swig_copy) { double result;
25131   OpenBabel::OBFFConstraints *arg1 = (OpenBabel::OBFFConstraints *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
25132   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25133   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraints, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25134     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraints_GetConstraintValue" "', argument " "1"" of type '" "OpenBabel::OBFFConstraints const *""'");  }
25135    arg1 = reinterpret_cast< OpenBabel::OBFFConstraints * >(argp1); arg2 = static_cast< int >(INTEGER(index)[0]);
25136   result = (double)((OpenBabel::OBFFConstraints const *)arg1)->GetConstraintValue(arg2);
25137   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
25138   return r_ans; }
R_swig_OBFFConstraints_GetConstraintAtomA(SEXP self,SEXP index,SEXP s_swig_copy)25139 SWIGEXPORT SEXP R_swig_OBFFConstraints_GetConstraintAtomA ( SEXP self, SEXP index, SEXP s_swig_copy) { int result;
25140   OpenBabel::OBFFConstraints *arg1 = (OpenBabel::OBFFConstraints *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
25141   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25142   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraints, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25143     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraints_GetConstraintAtomA" "', argument " "1"" of type '" "OpenBabel::OBFFConstraints const *""'");  }
25144    arg1 = reinterpret_cast< OpenBabel::OBFFConstraints * >(argp1); arg2 = static_cast< int >(INTEGER(index)[0]);
25145   result = (int)((OpenBabel::OBFFConstraints const *)arg1)->GetConstraintAtomA(arg2); r_ans = Rf_ScalarInteger(result);
25146   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraints_GetConstraintAtomB(SEXP self,SEXP index,SEXP s_swig_copy)25147 SWIGEXPORT SEXP R_swig_OBFFConstraints_GetConstraintAtomB ( SEXP self, SEXP index, SEXP s_swig_copy) { int result;
25148   OpenBabel::OBFFConstraints *arg1 = (OpenBabel::OBFFConstraints *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
25149   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25150   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraints, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25151     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraints_GetConstraintAtomB" "', argument " "1"" of type '" "OpenBabel::OBFFConstraints const *""'");  }
25152    arg1 = reinterpret_cast< OpenBabel::OBFFConstraints * >(argp1); arg2 = static_cast< int >(INTEGER(index)[0]);
25153   result = (int)((OpenBabel::OBFFConstraints const *)arg1)->GetConstraintAtomB(arg2); r_ans = Rf_ScalarInteger(result);
25154   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraints_GetConstraintAtomC(SEXP self,SEXP index,SEXP s_swig_copy)25155 SWIGEXPORT SEXP R_swig_OBFFConstraints_GetConstraintAtomC ( SEXP self, SEXP index, SEXP s_swig_copy) { int result;
25156   OpenBabel::OBFFConstraints *arg1 = (OpenBabel::OBFFConstraints *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
25157   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25158   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraints, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25159     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraints_GetConstraintAtomC" "', argument " "1"" of type '" "OpenBabel::OBFFConstraints const *""'");  }
25160    arg1 = reinterpret_cast< OpenBabel::OBFFConstraints * >(argp1); arg2 = static_cast< int >(INTEGER(index)[0]);
25161   result = (int)((OpenBabel::OBFFConstraints const *)arg1)->GetConstraintAtomC(arg2); r_ans = Rf_ScalarInteger(result);
25162   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraints_GetConstraintAtomD(SEXP self,SEXP index,SEXP s_swig_copy)25163 SWIGEXPORT SEXP R_swig_OBFFConstraints_GetConstraintAtomD ( SEXP self, SEXP index, SEXP s_swig_copy) { int result;
25164   OpenBabel::OBFFConstraints *arg1 = (OpenBabel::OBFFConstraints *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
25165   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25166   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraints, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25167     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraints_GetConstraintAtomD" "', argument " "1"" of type '" "OpenBabel::OBFFConstraints const *""'");  }
25168    arg1 = reinterpret_cast< OpenBabel::OBFFConstraints * >(argp1); arg2 = static_cast< int >(INTEGER(index)[0]);
25169   result = (int)((OpenBabel::OBFFConstraints const *)arg1)->GetConstraintAtomD(arg2); r_ans = Rf_ScalarInteger(result);
25170   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraints_IsIgnored(SEXP self,SEXP a,SEXP s_swig_copy)25171 SWIGEXPORT SEXP R_swig_OBFFConstraints_IsIgnored ( SEXP self, SEXP a, SEXP s_swig_copy) { bool result;
25172   OpenBabel::OBFFConstraints *arg1 = (OpenBabel::OBFFConstraints *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
25173   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25174   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraints, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25175     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraints_IsIgnored" "', argument " "1"" of type '" "OpenBabel::OBFFConstraints *""'");  }
25176    arg1 = reinterpret_cast< OpenBabel::OBFFConstraints * >(argp1); arg2 = static_cast< int >(INTEGER(a)[0]);
25177   result = (bool)(arg1)->IsIgnored(arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
25178   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraints_IsFixed(SEXP self,SEXP a,SEXP s_swig_copy)25179 SWIGEXPORT SEXP R_swig_OBFFConstraints_IsFixed ( SEXP self, SEXP a, SEXP s_swig_copy) { bool result;
25180   OpenBabel::OBFFConstraints *arg1 = (OpenBabel::OBFFConstraints *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
25181   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25182   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraints, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25183     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraints_IsFixed" "', argument " "1"" of type '" "OpenBabel::OBFFConstraints *""'");  }
25184    arg1 = reinterpret_cast< OpenBabel::OBFFConstraints * >(argp1); arg2 = static_cast< int >(INTEGER(a)[0]);
25185   result = (bool)(arg1)->IsFixed(arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
25186   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraints_IsXFixed(SEXP self,SEXP a,SEXP s_swig_copy)25187 SWIGEXPORT SEXP R_swig_OBFFConstraints_IsXFixed ( SEXP self, SEXP a, SEXP s_swig_copy) { bool result;
25188   OpenBabel::OBFFConstraints *arg1 = (OpenBabel::OBFFConstraints *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
25189   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25190   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraints, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25191     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraints_IsXFixed" "', argument " "1"" of type '" "OpenBabel::OBFFConstraints *""'");  }
25192    arg1 = reinterpret_cast< OpenBabel::OBFFConstraints * >(argp1); arg2 = static_cast< int >(INTEGER(a)[0]);
25193   result = (bool)(arg1)->IsXFixed(arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
25194   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraints_IsYFixed(SEXP self,SEXP a,SEXP s_swig_copy)25195 SWIGEXPORT SEXP R_swig_OBFFConstraints_IsYFixed ( SEXP self, SEXP a, SEXP s_swig_copy) { bool result;
25196   OpenBabel::OBFFConstraints *arg1 = (OpenBabel::OBFFConstraints *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
25197   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25198   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraints, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25199     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraints_IsYFixed" "', argument " "1"" of type '" "OpenBabel::OBFFConstraints *""'");  }
25200    arg1 = reinterpret_cast< OpenBabel::OBFFConstraints * >(argp1); arg2 = static_cast< int >(INTEGER(a)[0]);
25201   result = (bool)(arg1)->IsYFixed(arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
25202   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraints_IsZFixed(SEXP self,SEXP a,SEXP s_swig_copy)25203 SWIGEXPORT SEXP R_swig_OBFFConstraints_IsZFixed ( SEXP self, SEXP a, SEXP s_swig_copy) { bool result;
25204   OpenBabel::OBFFConstraints *arg1 = (OpenBabel::OBFFConstraints *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
25205   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25206   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraints, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25207     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraints_IsZFixed" "', argument " "1"" of type '" "OpenBabel::OBFFConstraints *""'");  }
25208    arg1 = reinterpret_cast< OpenBabel::OBFFConstraints * >(argp1); arg2 = static_cast< int >(INTEGER(a)[0]);
25209   result = (bool)(arg1)->IsZFixed(arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
25210   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraints_GetIgnoredBitVec(SEXP self,SEXP s_swig_copy)25211 SWIGEXPORT SEXP R_swig_OBFFConstraints_GetIgnoredBitVec ( SEXP self, SEXP s_swig_copy) { OpenBabel::OBBitVec result;
25212   OpenBabel::OBFFConstraints *arg1 = (OpenBabel::OBFFConstraints *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
25213   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25214   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraints, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25215     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraints_GetIgnoredBitVec" "', argument " "1"" of type '" "OpenBabel::OBFFConstraints *""'");  }
25216    arg1 = reinterpret_cast< OpenBabel::OBFFConstraints * >(argp1); result = (arg1)->GetIgnoredBitVec();
25217   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBBitVec(static_cast< const OpenBabel::OBBitVec& >(result))), SWIGTYPE_p_OpenBabel__OBBitVec, SWIG_POINTER_OWN |  0 );
25218   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBFFConstraints_GetFixedBitVec(SEXP self,SEXP s_swig_copy)25219 SWIGEXPORT SEXP R_swig_OBFFConstraints_GetFixedBitVec ( SEXP self, SEXP s_swig_copy) { OpenBabel::OBBitVec result;
25220   OpenBabel::OBFFConstraints *arg1 = (OpenBabel::OBFFConstraints *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
25221   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25222   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBFFConstraints, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25223     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBFFConstraints_GetFixedBitVec" "', argument " "1"" of type '" "OpenBabel::OBFFConstraints *""'");  }
25224    arg1 = reinterpret_cast< OpenBabel::OBFFConstraints * >(argp1); result = (arg1)->GetFixedBitVec();
25225   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBBitVec(static_cast< const OpenBabel::OBBitVec& >(result))), SWIGTYPE_p_OpenBabel__OBBitVec, SWIG_POINTER_OWN |  0 );
25226   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_Default(SEXP s_swig_copy)25227 SWIGEXPORT SEXP R_swig_OBForceField_Default ( SEXP s_swig_copy) { OpenBabel::OBForceField **result = 0 ;
25228   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25229   result = (OpenBabel::OBForceField **) &OpenBabel::OBForceField::Default();
25230   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_p_OpenBabel__OBForceField, R_SWIG_EXTERNAL |  0 );
25231   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_FindType(SEXP ID)25232 SWIGEXPORT SEXP R_swig_OBForceField_FindType ( SEXP ID) { OpenBabel::OBForceField *result = 0 ; char *arg1 = (char *) 0 ;
25233   int res1 ; char *buf1 = 0 ; int alloc1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
25234   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_AsCharPtrAndSize(ID, &buf1, NULL, &alloc1); if (!SWIG_IsOK(res1)) {
25235     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_FindType" "', argument " "1"" of type '" "char const *""'"); }
25236    arg1 = reinterpret_cast< char * >(buf1);
25237   result = (OpenBabel::OBForceField *)OpenBabel::OBForceField::FindType((char const *)arg1);
25238   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBForceField, R_SWIG_EXTERNAL |  0 );
25239   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_MakeNewInstance(SEXP self)25240 SWIGEXPORT SEXP R_swig_OBForceField_MakeNewInstance ( SEXP self) { OpenBabel::OBForceField *result = 0 ;
25241   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
25242   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25243   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25244     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_MakeNewInstance" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25245    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); result = (OpenBabel::OBForceField *)(arg1)->MakeNewInstance();
25246   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBForceField, R_SWIG_EXTERNAL |  0 );
25247   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBForceField(SEXP self)25248 SWIGEXPORT SEXP R_swig_delete_OBForceField ( SEXP self) { OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ;
25249   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25250   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
25251     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBForceField" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25252    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
25253   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBForceField_FindForceField__SWIG_0(SEXP ID)25254 SWIGEXPORT SEXP R_swig_OBForceField_FindForceField__SWIG_0 ( SEXP ID) { OpenBabel::OBForceField *result = 0 ;
25255   std::string *arg1 = 0 ; int res1 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
25256   VMAXTYPE r_vmax = vmaxget() ; { std::string *ptr = (std::string *)0; res1 = SWIG_AsPtr_std_string(ID, &ptr);
25257     if (!SWIG_IsOK(res1)) {
25258       SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_FindForceField" "', argument " "1"" of type '" "std::string const &""'"); }
25259      if (!ptr) {
25260       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBForceField_FindForceField" "', argument " "1"" of type '" "std::string const &""'"); }
25261      arg1 = ptr; }  result = (OpenBabel::OBForceField *)OpenBabel::OBForceField::FindForceField((std::string const &)*arg1);
25262   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBForceField, R_SWIG_EXTERNAL |  0 );
25263   if (SWIG_IsNewObj(res1)) delete arg1; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_FindForceField__SWIG_1(SEXP ID)25264 SWIGEXPORT SEXP R_swig_OBForceField_FindForceField__SWIG_1 ( SEXP ID) { OpenBabel::OBForceField *result = 0 ;
25265   char *arg1 = (char *) 0 ; int res1 ; char *buf1 = 0 ; int alloc1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
25266   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_AsCharPtrAndSize(ID, &buf1, NULL, &alloc1); if (!SWIG_IsOK(res1)) {
25267     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_FindForceField" "', argument " "1"" of type '" "char const *""'"); }
25268    arg1 = reinterpret_cast< char * >(buf1);
25269   result = (OpenBabel::OBForceField *)OpenBabel::OBForceField::FindForceField((char const *)arg1);
25270   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBForceField, R_SWIG_EXTERNAL |  0 );
25271   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_SetParameterFile(SEXP self,SEXP filename)25272 SWIGEXPORT SEXP R_swig_OBForceField_SetParameterFile ( SEXP self, SEXP filename) {
25273   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
25274   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25275   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25276     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_SetParameterFile" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25277    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); { std::string *ptr = (std::string *)0;
25278     res2 = SWIG_AsPtr_std_string(filename, &ptr); if (!SWIG_IsOK(res2)) {
25279       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBForceField_SetParameterFile" "', argument " "2"" of type '" "std::string const &""'"); }
25280      if (!ptr) {
25281       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBForceField_SetParameterFile" "', argument " "2"" of type '" "std::string const &""'"); }
25282      arg2 = ptr; }  (arg1)->SetParameterFile((std::string const &)*arg2); r_ans = R_NilValue;
25283   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_GetUnit(SEXP self,SEXP s_swig_copy)25284 SWIGEXPORT SEXP R_swig_OBForceField_GetUnit ( SEXP self, SEXP s_swig_copy) { std::string result;
25285   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
25286   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25287   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25288     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_GetUnit" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25289    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); result = (arg1)->GetUnit();
25290   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
25291   return r_ans; }
R_swig_OBForceField_HasAnalyticalGradients(SEXP self,SEXP s_swig_copy)25292 SWIGEXPORT SEXP R_swig_OBForceField_HasAnalyticalGradients ( SEXP self, SEXP s_swig_copy) { bool result;
25293   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
25294   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25295   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25296     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_HasAnalyticalGradients" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25297    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); result = (bool)(arg1)->HasAnalyticalGradients();
25298   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_Setup__SWIG_0(SEXP self,SEXP mol,SEXP s_swig_copy)25299 SWIGEXPORT SEXP R_swig_OBForceField_Setup__SWIG_0 ( SEXP self, SEXP mol, SEXP s_swig_copy) { bool result;
25300   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; OpenBabel::OBMol *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
25301   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25302   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25303     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_Setup" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25304    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1);
25305   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
25306     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBForceField_Setup" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
25307    if (!argp2) {
25308     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBForceField_Setup" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
25309    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); result = (bool)(arg1)->Setup(*arg2); r_ans = Rf_ScalarLogical(result);
25310   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_Setup__SWIG_1(SEXP self,SEXP mol,SEXP constraints,SEXP s_swig_copy)25311 SWIGEXPORT SEXP R_swig_OBForceField_Setup__SWIG_1 ( SEXP self, SEXP mol, SEXP constraints, SEXP s_swig_copy) { bool result;
25312   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; OpenBabel::OBMol *arg2 = 0 ;
25313   OpenBabel::OBFFConstraints *arg3 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ;
25314   int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25315   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25316     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_Setup" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25317    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1);
25318   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
25319     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBForceField_Setup" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
25320    if (!argp2) {
25321     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBForceField_Setup" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
25322    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2);
25323   res3 = SWIG_R_ConvertPtr(constraints, &argp3, SWIGTYPE_p_OpenBabel__OBFFConstraints,  0 ); if (!SWIG_IsOK(res3)) {
25324     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBForceField_Setup" "', argument " "3"" of type '" "OpenBabel::OBFFConstraints &""'");  }
25325    if (!argp3) {
25326     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBForceField_Setup" "', argument " "3"" of type '" "OpenBabel::OBFFConstraints &""'"); }
25327    arg3 = reinterpret_cast< OpenBabel::OBFFConstraints * >(argp3); result = (bool)(arg1)->Setup(*arg2,*arg3);
25328   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_ParseParamFile(SEXP self,SEXP s_swig_copy)25329 SWIGEXPORT SEXP R_swig_OBForceField_ParseParamFile ( SEXP self, SEXP s_swig_copy) { bool result;
25330   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
25331   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25332   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25333     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_ParseParamFile" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25334    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); result = (bool)(arg1)->ParseParamFile();
25335   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_SetTypes(SEXP self,SEXP s_swig_copy)25336 SWIGEXPORT SEXP R_swig_OBForceField_SetTypes ( SEXP self, SEXP s_swig_copy) { bool result;
25337   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
25338   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25339   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25340     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_SetTypes" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25341    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); result = (bool)(arg1)->SetTypes();
25342   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_SetFormalCharges(SEXP self,SEXP s_swig_copy)25343 SWIGEXPORT SEXP R_swig_OBForceField_SetFormalCharges ( SEXP self, SEXP s_swig_copy) { bool result;
25344   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
25345   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25346   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25347     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_SetFormalCharges" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25348    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); result = (bool)(arg1)->SetFormalCharges();
25349   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_SetPartialCharges(SEXP self,SEXP s_swig_copy)25350 SWIGEXPORT SEXP R_swig_OBForceField_SetPartialCharges ( SEXP self, SEXP s_swig_copy) { bool result;
25351   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
25352   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25353   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25354     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_SetPartialCharges" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25355    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); result = (bool)(arg1)->SetPartialCharges();
25356   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_SetupCalculations(SEXP self,SEXP s_swig_copy)25357 SWIGEXPORT SEXP R_swig_OBForceField_SetupCalculations ( SEXP self, SEXP s_swig_copy) { bool result;
25358   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
25359   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25360   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25361     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_SetupCalculations" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25362    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); result = (bool)(arg1)->SetupCalculations();
25363   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_SetupPointers(SEXP self,SEXP s_swig_copy)25364 SWIGEXPORT SEXP R_swig_OBForceField_SetupPointers ( SEXP self, SEXP s_swig_copy) { bool result;
25365   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
25366   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25367   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25368     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_SetupPointers" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25369    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); result = (bool)(arg1)->SetupPointers();
25370   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_IsSetupNeeded(SEXP self,SEXP mol,SEXP s_swig_copy)25371 SWIGEXPORT SEXP R_swig_OBForceField_IsSetupNeeded ( SEXP self, SEXP mol, SEXP s_swig_copy) { bool result;
25372   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; OpenBabel::OBMol *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
25373   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25374   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25375     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_IsSetupNeeded" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25376    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1);
25377   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
25378     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBForceField_IsSetupNeeded" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
25379    if (!argp2) {
25380     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBForceField_IsSetupNeeded" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
25381    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); result = (bool)(arg1)->IsSetupNeeded(*arg2);
25382   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_GetAtomTypes(SEXP self,SEXP mol,SEXP s_swig_copy)25383 SWIGEXPORT SEXP R_swig_OBForceField_GetAtomTypes ( SEXP self, SEXP mol, SEXP s_swig_copy) { bool result;
25384   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; OpenBabel::OBMol *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
25385   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25386   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25387     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_GetAtomTypes" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25388    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1);
25389   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
25390     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBForceField_GetAtomTypes" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
25391    if (!argp2) {
25392     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBForceField_GetAtomTypes" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
25393    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); result = (bool)(arg1)->GetAtomTypes(*arg2);
25394   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_GetPartialCharges(SEXP self,SEXP mol,SEXP s_swig_copy)25395 SWIGEXPORT SEXP R_swig_OBForceField_GetPartialCharges ( SEXP self, SEXP mol, SEXP s_swig_copy) { bool result;
25396   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; OpenBabel::OBMol *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
25397   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25398   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25399     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_GetPartialCharges" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25400    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1);
25401   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
25402     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBForceField_GetPartialCharges" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
25403    if (!argp2) {
25404     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBForceField_GetPartialCharges" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
25405    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); result = (bool)(arg1)->GetPartialCharges(*arg2);
25406   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_GetCoordinates(SEXP self,SEXP mol,SEXP s_swig_copy)25407 SWIGEXPORT SEXP R_swig_OBForceField_GetCoordinates ( SEXP self, SEXP mol, SEXP s_swig_copy) { bool result;
25408   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; OpenBabel::OBMol *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
25409   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25410   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25411     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_GetCoordinates" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25412    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1);
25413   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
25414     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBForceField_GetCoordinates" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
25415    if (!argp2) {
25416     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBForceField_GetCoordinates" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
25417    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); result = (bool)(arg1)->GetCoordinates(*arg2);
25418   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_UpdateCoordinates(SEXP self,SEXP mol,SEXP s_swig_copy)25419 SWIGEXPORT SEXP R_swig_OBForceField_UpdateCoordinates ( SEXP self, SEXP mol, SEXP s_swig_copy) { bool result;
25420   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; OpenBabel::OBMol *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
25421   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25422   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25423     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_UpdateCoordinates" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25424    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1);
25425   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
25426     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBForceField_UpdateCoordinates" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
25427    if (!argp2) {
25428     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBForceField_UpdateCoordinates" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
25429    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); result = (bool)(arg1)->UpdateCoordinates(*arg2);
25430   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_GetConformers(SEXP self,SEXP mol,SEXP s_swig_copy)25431 SWIGEXPORT SEXP R_swig_OBForceField_GetConformers ( SEXP self, SEXP mol, SEXP s_swig_copy) { bool result;
25432   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; OpenBabel::OBMol *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
25433   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25434   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25435     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_GetConformers" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25436    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1);
25437   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
25438     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBForceField_GetConformers" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
25439    if (!argp2) {
25440     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBForceField_GetConformers" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
25441    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); result = (bool)(arg1)->GetConformers(*arg2);
25442   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_UpdateConformers(SEXP self,SEXP mol,SEXP s_swig_copy)25443 SWIGEXPORT SEXP R_swig_OBForceField_UpdateConformers ( SEXP self, SEXP mol, SEXP s_swig_copy) { bool result;
25444   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; OpenBabel::OBMol *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
25445   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25446   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25447     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_UpdateConformers" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25448    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1);
25449   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
25450     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBForceField_UpdateConformers" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
25451    if (!argp2) {
25452     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBForceField_UpdateConformers" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
25453    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); result = (bool)(arg1)->UpdateConformers(*arg2);
25454   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_SetCoordinates(SEXP self,SEXP mol,SEXP s_swig_copy)25455 SWIGEXPORT SEXP R_swig_OBForceField_SetCoordinates ( SEXP self, SEXP mol, SEXP s_swig_copy) { bool result;
25456   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; OpenBabel::OBMol *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
25457   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25458   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25459     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_SetCoordinates" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25460    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1);
25461   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
25462     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBForceField_SetCoordinates" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
25463    if (!argp2) {
25464     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBForceField_SetCoordinates" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
25465    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); result = (bool)(arg1)->SetCoordinates(*arg2);
25466   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_SetConformers(SEXP self,SEXP mol,SEXP s_swig_copy)25467 SWIGEXPORT SEXP R_swig_OBForceField_SetConformers ( SEXP self, SEXP mol, SEXP s_swig_copy) { bool result;
25468   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; OpenBabel::OBMol *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
25469   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25470   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25471     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_SetConformers" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25472    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1);
25473   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
25474     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBForceField_SetConformers" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
25475    if (!argp2) {
25476     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBForceField_SetConformers" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
25477    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); result = (bool)(arg1)->SetConformers(*arg2);
25478   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_GetGrid(SEXP self,SEXP step,SEXP padding,SEXP type,SEXP pchg)25479 SWIGEXPORT SEXP R_swig_OBForceField_GetGrid ( SEXP self, SEXP step, SEXP padding, SEXP type, SEXP pchg) {
25480   OpenBabel::OBGridData *result = 0 ; OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; double arg2 ;
25481   double arg3 ; char *arg4 = (char *) 0 ; double arg5 ; void *argp1 = 0 ; int res1 = 0 ; int res4 ; char *buf4 = 0 ;
25482   int alloc4 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25483   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25484     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_GetGrid" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25485    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); arg2 = static_cast< double >(REAL(step)[0]);
25486   arg3 = static_cast< double >(REAL(padding)[0]); res4 = SWIG_AsCharPtrAndSize(type, &buf4, NULL, &alloc4);
25487   if (!SWIG_IsOK(res4)) {
25488     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "OBForceField_GetGrid" "', argument " "4"" of type '" "char const *""'"); }
25489    arg4 = reinterpret_cast< char * >(buf4); arg5 = static_cast< double >(REAL(pchg)[0]);
25490   result = (OpenBabel::OBGridData *)(arg1)->GetGrid(arg2,arg3,(char const *)arg4,arg5);
25491   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGridData, R_SWIG_EXTERNAL |  0 );
25492   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_AddIntraGroup(SEXP self,SEXP group)25493 SWIGEXPORT SEXP R_swig_OBForceField_AddIntraGroup ( SEXP self, SEXP group) {
25494   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; OpenBabel::OBBitVec *arg2 = 0 ; void *argp1 = 0 ;
25495   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
25496   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 );
25497   if (!SWIG_IsOK(res1)) {
25498     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_AddIntraGroup" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25499    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1);
25500   res2 = SWIG_R_ConvertPtr(group, &argp2, SWIGTYPE_p_OpenBabel__OBBitVec,  0 ); if (!SWIG_IsOK(res2)) {
25501     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBForceField_AddIntraGroup" "', argument " "2"" of type '" "OpenBabel::OBBitVec &""'");  }
25502    if (!argp2) {
25503     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBForceField_AddIntraGroup" "', argument " "2"" of type '" "OpenBabel::OBBitVec &""'"); }
25504    arg2 = reinterpret_cast< OpenBabel::OBBitVec * >(argp2); (arg1)->AddIntraGroup(*arg2); r_ans = R_NilValue; vmaxset(r_vmax);
25505   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_AddInterGroup(SEXP self,SEXP group)25506 SWIGEXPORT SEXP R_swig_OBForceField_AddInterGroup ( SEXP self, SEXP group) {
25507   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; OpenBabel::OBBitVec *arg2 = 0 ; void *argp1 = 0 ;
25508   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
25509   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 );
25510   if (!SWIG_IsOK(res1)) {
25511     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_AddInterGroup" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25512    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1);
25513   res2 = SWIG_R_ConvertPtr(group, &argp2, SWIGTYPE_p_OpenBabel__OBBitVec,  0 ); if (!SWIG_IsOK(res2)) {
25514     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBForceField_AddInterGroup" "', argument " "2"" of type '" "OpenBabel::OBBitVec &""'");  }
25515    if (!argp2) {
25516     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBForceField_AddInterGroup" "', argument " "2"" of type '" "OpenBabel::OBBitVec &""'"); }
25517    arg2 = reinterpret_cast< OpenBabel::OBBitVec * >(argp2); (arg1)->AddInterGroup(*arg2); r_ans = R_NilValue; vmaxset(r_vmax);
25518   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_AddInterGroups(SEXP self,SEXP group1,SEXP group2)25519 SWIGEXPORT SEXP R_swig_OBForceField_AddInterGroups ( SEXP self, SEXP group1, SEXP group2) {
25520   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; OpenBabel::OBBitVec *arg2 = 0 ;
25521   OpenBabel::OBBitVec *arg3 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ;
25522   int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25523   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25524     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_AddInterGroups" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25525    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1);
25526   res2 = SWIG_R_ConvertPtr(group1, &argp2, SWIGTYPE_p_OpenBabel__OBBitVec,  0 ); if (!SWIG_IsOK(res2)) {
25527     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBForceField_AddInterGroups" "', argument " "2"" of type '" "OpenBabel::OBBitVec &""'");  }
25528    if (!argp2) {
25529     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBForceField_AddInterGroups" "', argument " "2"" of type '" "OpenBabel::OBBitVec &""'"); }
25530    arg2 = reinterpret_cast< OpenBabel::OBBitVec * >(argp2);
25531   res3 = SWIG_R_ConvertPtr(group2, &argp3, SWIGTYPE_p_OpenBabel__OBBitVec,  0 ); if (!SWIG_IsOK(res3)) {
25532     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBForceField_AddInterGroups" "', argument " "3"" of type '" "OpenBabel::OBBitVec &""'");  }
25533    if (!argp3) {
25534     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBForceField_AddInterGroups" "', argument " "3"" of type '" "OpenBabel::OBBitVec &""'"); }
25535    arg3 = reinterpret_cast< OpenBabel::OBBitVec * >(argp3); (arg1)->AddInterGroups(*arg2,*arg3); r_ans = R_NilValue;
25536   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_ClearGroups(SEXP self)25537 SWIGEXPORT SEXP R_swig_OBForceField_ClearGroups ( SEXP self) { OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ;
25538   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25539   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25540     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_ClearGroups" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25541    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); (arg1)->ClearGroups(); r_ans = R_NilValue; vmaxset(r_vmax);
25542   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_HasGroups(SEXP self,SEXP s_swig_copy)25543 SWIGEXPORT SEXP R_swig_OBForceField_HasGroups ( SEXP self, SEXP s_swig_copy) { bool result;
25544   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
25545   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25546   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25547     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_HasGroups" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25548    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); result = (bool)(arg1)->HasGroups();
25549   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_EnableCutOff(SEXP self,SEXP enable)25550 SWIGEXPORT SEXP R_swig_OBForceField_EnableCutOff ( SEXP self, SEXP enable) {
25551   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
25552   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25553   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25554     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_EnableCutOff" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25555    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); arg2 = LOGICAL(enable)[0] ? true : false;
25556   (arg1)->EnableCutOff(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_IsCutOffEnabled(SEXP self,SEXP s_swig_copy)25557 SWIGEXPORT SEXP R_swig_OBForceField_IsCutOffEnabled ( SEXP self, SEXP s_swig_copy) { bool result;
25558   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
25559   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25560   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25561     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_IsCutOffEnabled" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25562    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); result = (bool)(arg1)->IsCutOffEnabled();
25563   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_SetVDWCutOff(SEXP self,SEXP r)25564 SWIGEXPORT SEXP R_swig_OBForceField_SetVDWCutOff ( SEXP self, SEXP r) {
25565   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; double arg2 ; void *argp1 = 0 ; int res1 = 0 ;
25566   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25567   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25568     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_SetVDWCutOff" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25569    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); arg2 = static_cast< double >(REAL(r)[0]);
25570   (arg1)->SetVDWCutOff(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_GetVDWCutOff(SEXP self,SEXP s_swig_copy)25571 SWIGEXPORT SEXP R_swig_OBForceField_GetVDWCutOff ( SEXP self, SEXP s_swig_copy) { double result;
25572   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
25573   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25574   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25575     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_GetVDWCutOff" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25576    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); result = (double)(arg1)->GetVDWCutOff();
25577   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
25578   return r_ans; }
R_swig_OBForceField_SetElectrostaticCutOff(SEXP self,SEXP r)25579 SWIGEXPORT SEXP R_swig_OBForceField_SetElectrostaticCutOff ( SEXP self, SEXP r) {
25580   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; double arg2 ; void *argp1 = 0 ; int res1 = 0 ;
25581   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25582   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25583     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_SetElectrostaticCutOff" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25584    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); arg2 = static_cast< double >(REAL(r)[0]);
25585   (arg1)->SetElectrostaticCutOff(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
25586   return r_ans; }
R_swig_OBForceField_GetElectrostaticCutOff(SEXP self,SEXP s_swig_copy)25587 SWIGEXPORT SEXP R_swig_OBForceField_GetElectrostaticCutOff ( SEXP self, SEXP s_swig_copy) { double result;
25588   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
25589   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25590   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25591     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_GetElectrostaticCutOff" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25592    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); result = (double)(arg1)->GetElectrostaticCutOff();
25593   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
25594   return r_ans; }
R_swig_OBForceField_SetUpdateFrequency(SEXP self,SEXP f)25595 SWIGEXPORT SEXP R_swig_OBForceField_SetUpdateFrequency ( SEXP self, SEXP f) {
25596   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
25597   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25598   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25599     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_SetUpdateFrequency" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25600    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); arg2 = static_cast< int >(INTEGER(f)[0]);
25601   (arg1)->SetUpdateFrequency(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
25602   return r_ans; }
R_swig_OBForceField_GetUpdateFrequency(SEXP self,SEXP s_swig_copy)25603 SWIGEXPORT SEXP R_swig_OBForceField_GetUpdateFrequency ( SEXP self, SEXP s_swig_copy) { int result;
25604   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
25605   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25606   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25607     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_GetUpdateFrequency" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25608    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); result = (int)(arg1)->GetUpdateFrequency();
25609   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_UpdatePairsSimple(SEXP self)25610 SWIGEXPORT SEXP R_swig_OBForceField_UpdatePairsSimple ( SEXP self) {
25611   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
25612   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25613   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25614     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_UpdatePairsSimple" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25615    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); (arg1)->UpdatePairsSimple(); r_ans = R_NilValue;
25616   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_GetNumPairs(SEXP self,SEXP s_swig_copy)25617 SWIGEXPORT SEXP R_swig_OBForceField_GetNumPairs ( SEXP self, SEXP s_swig_copy) { unsigned int result;
25618   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
25619   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25620   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25621     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_GetNumPairs" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25622    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); result = (unsigned int)(arg1)->GetNumPairs();
25623   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_GetNumElectrostaticPairs(SEXP self,SEXP s_swig_copy)25624 SWIGEXPORT SEXP R_swig_OBForceField_GetNumElectrostaticPairs ( SEXP self, SEXP s_swig_copy) { unsigned int result;
25625   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
25626   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25627   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25628     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_GetNumElectrostaticPairs" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25629    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); result = (unsigned int)(arg1)->GetNumElectrostaticPairs();
25630   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_GetNumVDWPairs(SEXP self,SEXP s_swig_copy)25631 SWIGEXPORT SEXP R_swig_OBForceField_GetNumVDWPairs ( SEXP self, SEXP s_swig_copy) { unsigned int result;
25632   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
25633   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25634   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25635     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_GetNumVDWPairs" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25636    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); result = (unsigned int)(arg1)->GetNumVDWPairs();
25637   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_EnableAllPairs(SEXP self)25638 SWIGEXPORT SEXP R_swig_OBForceField_EnableAllPairs ( SEXP self) {
25639   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
25640   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25641   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25642     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_EnableAllPairs" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25643    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); (arg1)->EnableAllPairs(); r_ans = R_NilValue; vmaxset(r_vmax);
25644   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_Energy__SWIG_0(SEXP self,SEXP gradients,SEXP s_swig_copy)25645 SWIGEXPORT SEXP R_swig_OBForceField_Energy__SWIG_0 ( SEXP self, SEXP gradients, SEXP s_swig_copy) { double result;
25646   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
25647   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25648   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25649     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_Energy" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25650    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); arg2 = LOGICAL(gradients)[0] ? true : false;
25651   result = (double)(arg1)->Energy(arg2); r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax);
25652   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_Energy__SWIG_1(SEXP self,SEXP s_swig_copy)25653 SWIGEXPORT SEXP R_swig_OBForceField_Energy__SWIG_1 ( SEXP self, SEXP s_swig_copy) { double result;
25654   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
25655   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25656   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25657     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_Energy" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25658    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); result = (double)(arg1)->Energy();
25659   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
25660   return r_ans; }
R_swig_OBForceField_E_Bond__SWIG_0(SEXP self,SEXP gradients,SEXP s_swig_copy)25661 SWIGEXPORT SEXP R_swig_OBForceField_E_Bond__SWIG_0 ( SEXP self, SEXP gradients, SEXP s_swig_copy) { double result;
25662   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
25663   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25664   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25665     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_E_Bond" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25666    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); arg2 = LOGICAL(gradients)[0] ? true : false;
25667   result = (double)(arg1)->E_Bond(arg2); r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax);
25668   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_E_Bond__SWIG_1(SEXP self,SEXP s_swig_copy)25669 SWIGEXPORT SEXP R_swig_OBForceField_E_Bond__SWIG_1 ( SEXP self, SEXP s_swig_copy) { double result;
25670   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
25671   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25672   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25673     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_E_Bond" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25674    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); result = (double)(arg1)->E_Bond();
25675   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
25676   return r_ans; }
R_swig_OBForceField_E_Angle__SWIG_0(SEXP self,SEXP gradients,SEXP s_swig_copy)25677 SWIGEXPORT SEXP R_swig_OBForceField_E_Angle__SWIG_0 ( SEXP self, SEXP gradients, SEXP s_swig_copy) { double result;
25678   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
25679   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25680   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25681     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_E_Angle" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25682    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); arg2 = LOGICAL(gradients)[0] ? true : false;
25683   result = (double)(arg1)->E_Angle(arg2); r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax);
25684   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_E_Angle__SWIG_1(SEXP self,SEXP s_swig_copy)25685 SWIGEXPORT SEXP R_swig_OBForceField_E_Angle__SWIG_1 ( SEXP self, SEXP s_swig_copy) { double result;
25686   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
25687   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25688   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25689     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_E_Angle" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25690    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); result = (double)(arg1)->E_Angle();
25691   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
25692   return r_ans; }
R_swig_OBForceField_E_StrBnd__SWIG_0(SEXP self,SEXP gradients,SEXP s_swig_copy)25693 SWIGEXPORT SEXP R_swig_OBForceField_E_StrBnd__SWIG_0 ( SEXP self, SEXP gradients, SEXP s_swig_copy) { double result;
25694   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
25695   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25696   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25697     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_E_StrBnd" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25698    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); arg2 = LOGICAL(gradients)[0] ? true : false;
25699   result = (double)(arg1)->E_StrBnd(arg2); r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax);
25700   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_E_StrBnd__SWIG_1(SEXP self,SEXP s_swig_copy)25701 SWIGEXPORT SEXP R_swig_OBForceField_E_StrBnd__SWIG_1 ( SEXP self, SEXP s_swig_copy) { double result;
25702   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
25703   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25704   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25705     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_E_StrBnd" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25706    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); result = (double)(arg1)->E_StrBnd();
25707   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
25708   return r_ans; }
R_swig_OBForceField_E_Torsion__SWIG_0(SEXP self,SEXP gradients,SEXP s_swig_copy)25709 SWIGEXPORT SEXP R_swig_OBForceField_E_Torsion__SWIG_0 ( SEXP self, SEXP gradients, SEXP s_swig_copy) { double result;
25710   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
25711   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25712   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25713     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_E_Torsion" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25714    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); arg2 = LOGICAL(gradients)[0] ? true : false;
25715   result = (double)(arg1)->E_Torsion(arg2); r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax);
25716   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_E_Torsion__SWIG_1(SEXP self,SEXP s_swig_copy)25717 SWIGEXPORT SEXP R_swig_OBForceField_E_Torsion__SWIG_1 ( SEXP self, SEXP s_swig_copy) { double result;
25718   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
25719   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25720   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25721     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_E_Torsion" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25722    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); result = (double)(arg1)->E_Torsion();
25723   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
25724   return r_ans; }
R_swig_OBForceField_E_OOP__SWIG_0(SEXP self,SEXP gradients,SEXP s_swig_copy)25725 SWIGEXPORT SEXP R_swig_OBForceField_E_OOP__SWIG_0 ( SEXP self, SEXP gradients, SEXP s_swig_copy) { double result;
25726   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
25727   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25728   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25729     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_E_OOP" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25730    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); arg2 = LOGICAL(gradients)[0] ? true : false;
25731   result = (double)(arg1)->E_OOP(arg2); r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax);
25732   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_E_OOP__SWIG_1(SEXP self,SEXP s_swig_copy)25733 SWIGEXPORT SEXP R_swig_OBForceField_E_OOP__SWIG_1 ( SEXP self, SEXP s_swig_copy) { double result;
25734   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
25735   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25736   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25737     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_E_OOP" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25738    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); result = (double)(arg1)->E_OOP();
25739   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
25740   return r_ans; }
R_swig_OBForceField_E_VDW__SWIG_0(SEXP self,SEXP gradients,SEXP s_swig_copy)25741 SWIGEXPORT SEXP R_swig_OBForceField_E_VDW__SWIG_0 ( SEXP self, SEXP gradients, SEXP s_swig_copy) { double result;
25742   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
25743   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25744   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25745     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_E_VDW" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25746    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); arg2 = LOGICAL(gradients)[0] ? true : false;
25747   result = (double)(arg1)->E_VDW(arg2); r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax);
25748   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_E_VDW__SWIG_1(SEXP self,SEXP s_swig_copy)25749 SWIGEXPORT SEXP R_swig_OBForceField_E_VDW__SWIG_1 ( SEXP self, SEXP s_swig_copy) { double result;
25750   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
25751   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25752   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25753     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_E_VDW" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25754    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); result = (double)(arg1)->E_VDW();
25755   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
25756   return r_ans; }
R_swig_OBForceField_E_Electrostatic__SWIG_0(SEXP self,SEXP gradients,SEXP s_swig_copy)25757 SWIGEXPORT SEXP R_swig_OBForceField_E_Electrostatic__SWIG_0 ( SEXP self, SEXP gradients, SEXP s_swig_copy) { double result;
25758   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
25759   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25760   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25761     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_E_Electrostatic" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25762    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); arg2 = LOGICAL(gradients)[0] ? true : false;
25763   result = (double)(arg1)->E_Electrostatic(arg2); r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax);
25764   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_E_Electrostatic__SWIG_1(SEXP self,SEXP s_swig_copy)25765 SWIGEXPORT SEXP R_swig_OBForceField_E_Electrostatic__SWIG_1 ( SEXP self, SEXP s_swig_copy) { double result;
25766   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
25767   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25768   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25769     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_E_Electrostatic" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25770    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); result = (double)(arg1)->E_Electrostatic();
25771   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
25772   return r_ans; }
R_swig_OBForceField_PrintTypes(SEXP self)25773 SWIGEXPORT SEXP R_swig_OBForceField_PrintTypes ( SEXP self) { OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ;
25774   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25775   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25776     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_PrintTypes" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25777    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); (arg1)->PrintTypes(); r_ans = R_NilValue; vmaxset(r_vmax);
25778   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_PrintFormalCharges(SEXP self)25779 SWIGEXPORT SEXP R_swig_OBForceField_PrintFormalCharges ( SEXP self) {
25780   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
25781   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25782   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25783     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_PrintFormalCharges" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25784    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); (arg1)->PrintFormalCharges(); r_ans = R_NilValue;
25785   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_PrintPartialCharges(SEXP self)25786 SWIGEXPORT SEXP R_swig_OBForceField_PrintPartialCharges ( SEXP self) {
25787   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
25788   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25789   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25790     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_PrintPartialCharges" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25791    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); (arg1)->PrintPartialCharges(); r_ans = R_NilValue;
25792   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_PrintVelocities(SEXP self)25793 SWIGEXPORT SEXP R_swig_OBForceField_PrintVelocities ( SEXP self) {
25794   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
25795   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25796   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25797     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_PrintVelocities" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25798    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); (arg1)->PrintVelocities(); r_ans = R_NilValue; vmaxset(r_vmax);
25799   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_SetLogFile(SEXP self,SEXP pos,SEXP s_swig_copy)25800 SWIGEXPORT SEXP R_swig_OBForceField_SetLogFile ( SEXP self, SEXP pos, SEXP s_swig_copy) { bool result;
25801   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; std::ostream *arg2 = (std::ostream *) 0 ; void *argp1 = 0 ;
25802   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
25803   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 );
25804   if (!SWIG_IsOK(res1)) {
25805     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_SetLogFile" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25806    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1);
25807   res2 = SWIG_R_ConvertPtr(pos, &argp2, SWIGTYPE_p_std__ostream, 0 |  0 ); if (!SWIG_IsOK(res2)) {
25808     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBForceField_SetLogFile" "', argument " "2"" of type '" "std::ostream *""'");  }
25809    arg2 = reinterpret_cast< std::ostream * >(argp2); result = (bool)(arg1)->SetLogFile(arg2); r_ans = Rf_ScalarLogical(result);
25810   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_SetLogLevel(SEXP self,SEXP level,SEXP s_swig_copy)25811 SWIGEXPORT SEXP R_swig_OBForceField_SetLogLevel ( SEXP self, SEXP level, SEXP s_swig_copy) { bool result;
25812   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
25813   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25814   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25815     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_SetLogLevel" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25816    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); arg2 = static_cast< int >(INTEGER(level)[0]);
25817   result = (bool)(arg1)->SetLogLevel(arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
25818   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_GetLogLevel(SEXP self,SEXP s_swig_copy)25819 SWIGEXPORT SEXP R_swig_OBForceField_GetLogLevel ( SEXP self, SEXP s_swig_copy) { int result;
25820   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
25821   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25822   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25823     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_GetLogLevel" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25824    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); result = (int)(arg1)->GetLogLevel();
25825   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_OBFFLog__SWIG_0(SEXP self,SEXP msg)25826 SWIGEXPORT SEXP R_swig_OBForceField_OBFFLog__SWIG_0 ( SEXP self, SEXP msg) {
25827   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; std::string arg2 ; void *argp1 = 0 ; int res1 = 0 ;
25828   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25829   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25830     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_OBFFLog" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25831    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); { std::string *ptr = (std::string *)0;
25832     int res = SWIG_AsPtr_std_string(msg, &ptr); if (!SWIG_IsOK(res) || !ptr) {
25833       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBForceField_OBFFLog" "', argument " "2"" of type '" "std::string""'");  }
25834      arg2 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  (arg1)->OBFFLog(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
25835   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_OBFFLog__SWIG_1(SEXP self,SEXP msg)25836 SWIGEXPORT SEXP R_swig_OBForceField_OBFFLog__SWIG_1 ( SEXP self, SEXP msg) {
25837   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; char *arg2 = (char *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
25838   int res2 ; char *buf2 = 0 ; int alloc2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
25839   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 );
25840   if (!SWIG_IsOK(res1)) {
25841     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_OBFFLog" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25842    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); res2 = SWIG_AsCharPtrAndSize(msg, &buf2, NULL, &alloc2);
25843   if (!SWIG_IsOK(res2)) {
25844     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBForceField_OBFFLog" "', argument " "2"" of type '" "char const *""'"); }
25845    arg2 = reinterpret_cast< char * >(buf2); (arg1)->OBFFLog((char const *)arg2); r_ans = R_NilValue;
25846   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_DistanceGeometry(SEXP self)25847 SWIGEXPORT SEXP R_swig_OBForceField_DistanceGeometry ( SEXP self) {
25848   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
25849   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25850   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25851     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_DistanceGeometry" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25852    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); (arg1)->DistanceGeometry(); r_ans = R_NilValue; vmaxset(r_vmax);
25853   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_SystematicRotorSearch__SWIG_0(SEXP self,SEXP geomSteps)25854 SWIGEXPORT SEXP R_swig_OBForceField_SystematicRotorSearch__SWIG_0 ( SEXP self, SEXP geomSteps) {
25855   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
25856   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25857   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25858     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_SystematicRotorSearch" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25859    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); ecode2 = SWIG_AsVal_int(geomSteps, &val2);
25860   if (!SWIG_IsOK(ecode2)) {
25861     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBForceField_SystematicRotorSearch" "', argument " "2"" of type '" "unsigned int""'"); }
25862     arg2 = static_cast< unsigned int >(val2); (arg1)->SystematicRotorSearch(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
25863   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_SystematicRotorSearch__SWIG_1(SEXP self)25864 SWIGEXPORT SEXP R_swig_OBForceField_SystematicRotorSearch__SWIG_1 ( SEXP self) {
25865   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
25866   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25867   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25868     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_SystematicRotorSearch" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25869    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); (arg1)->SystematicRotorSearch(); r_ans = R_NilValue;
25870   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_SystematicRotorSearchInitialize__SWIG_0(SEXP self,SEXP geomSteps,SEXP s_swig_copy)25871 SWIGEXPORT SEXP R_swig_OBForceField_SystematicRotorSearchInitialize__SWIG_0 ( SEXP self, SEXP geomSteps, SEXP s_swig_copy) {
25872   int result; OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; unsigned int arg2 ; void *argp1 = 0 ;
25873   int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
25874   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 );
25875   if (!SWIG_IsOK(res1)) {
25876     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_SystematicRotorSearchInitialize" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25877    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); ecode2 = SWIG_AsVal_int(geomSteps, &val2);
25878   if (!SWIG_IsOK(ecode2)) {
25879     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBForceField_SystematicRotorSearchInitialize" "', argument " "2"" of type '" "unsigned int""'"); }
25880     arg2 = static_cast< unsigned int >(val2); result = (int)(arg1)->SystematicRotorSearchInitialize(arg2);
25881   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_SystematicRotorSearchInitialize__SWIG_1(SEXP self,SEXP s_swig_copy)25882 SWIGEXPORT SEXP R_swig_OBForceField_SystematicRotorSearchInitialize__SWIG_1 ( SEXP self, SEXP s_swig_copy) { int result;
25883   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
25884   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25885   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25886     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_SystematicRotorSearchInitialize" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25887    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); result = (int)(arg1)->SystematicRotorSearchInitialize();
25888   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_SystematicRotorSearchNextConformer__SWIG_0(SEXP self,SEXP geomSteps,SEXP s_swig_copy)25889 SWIGEXPORT SEXP R_swig_OBForceField_SystematicRotorSearchNextConformer__SWIG_0 ( SEXP self, SEXP geomSteps, SEXP s_swig_copy) {
25890   bool result; OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; unsigned int arg2 ; void *argp1 = 0 ;
25891   int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
25892   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 );
25893   if (!SWIG_IsOK(res1)) {
25894     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_SystematicRotorSearchNextConformer" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25895    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); ecode2 = SWIG_AsVal_int(geomSteps, &val2);
25896   if (!SWIG_IsOK(ecode2)) {
25897     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBForceField_SystematicRotorSearchNextConformer" "', argument " "2"" of type '" "unsigned int""'"); }
25898     arg2 = static_cast< unsigned int >(val2); result = (bool)(arg1)->SystematicRotorSearchNextConformer(arg2);
25899   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_SystematicRotorSearchNextConformer__SWIG_1(SEXP self,SEXP s_swig_copy)25900 SWIGEXPORT SEXP R_swig_OBForceField_SystematicRotorSearchNextConformer__SWIG_1 ( SEXP self, SEXP s_swig_copy) { bool result;
25901   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
25902   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25903   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25904     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_SystematicRotorSearchNextConformer" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25905    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); result = (bool)(arg1)->SystematicRotorSearchNextConformer();
25906   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_RandomRotorSearch__SWIG_0(SEXP self,SEXP conformers,SEXP geomSteps)25907 SWIGEXPORT SEXP R_swig_OBForceField_RandomRotorSearch__SWIG_0 ( SEXP self, SEXP conformers, SEXP geomSteps) {
25908   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; unsigned int arg2 ; unsigned int arg3 ; void *argp1 = 0 ;
25909   int res1 = 0 ; int val2 ; int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
25910   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 );
25911   if (!SWIG_IsOK(res1)) {
25912     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_RandomRotorSearch" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25913    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); ecode2 = SWIG_AsVal_int(conformers, &val2);
25914   if (!SWIG_IsOK(ecode2)) {
25915     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBForceField_RandomRotorSearch" "', argument " "2"" of type '" "unsigned int""'"); }
25916     arg2 = static_cast< unsigned int >(val2); ecode3 = SWIG_AsVal_int(geomSteps, &val3); if (!SWIG_IsOK(ecode3)) {
25917     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "OBForceField_RandomRotorSearch" "', argument " "3"" of type '" "unsigned int""'"); }
25918     arg3 = static_cast< unsigned int >(val3); (arg1)->RandomRotorSearch(arg2,arg3); r_ans = R_NilValue; vmaxset(r_vmax);
25919   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_RandomRotorSearch__SWIG_1(SEXP self,SEXP conformers)25920 SWIGEXPORT SEXP R_swig_OBForceField_RandomRotorSearch__SWIG_1 ( SEXP self, SEXP conformers) {
25921   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
25922   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25923   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25924     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_RandomRotorSearch" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25925    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); ecode2 = SWIG_AsVal_int(conformers, &val2);
25926   if (!SWIG_IsOK(ecode2)) {
25927     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBForceField_RandomRotorSearch" "', argument " "2"" of type '" "unsigned int""'"); }
25928     arg2 = static_cast< unsigned int >(val2); (arg1)->RandomRotorSearch(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
25929   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_RandomRotorSearchInitialize__SWIG_0(SEXP self,SEXP conformers,SEXP geomSteps)25930 SWIGEXPORT SEXP R_swig_OBForceField_RandomRotorSearchInitialize__SWIG_0 ( SEXP self, SEXP conformers, SEXP geomSteps) {
25931   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; unsigned int arg2 ; unsigned int arg3 ; void *argp1 = 0 ;
25932   int res1 = 0 ; int val2 ; int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
25933   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 );
25934   if (!SWIG_IsOK(res1)) {
25935     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_RandomRotorSearchInitialize" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25936    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); ecode2 = SWIG_AsVal_int(conformers, &val2);
25937   if (!SWIG_IsOK(ecode2)) {
25938     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBForceField_RandomRotorSearchInitialize" "', argument " "2"" of type '" "unsigned int""'"); }
25939     arg2 = static_cast< unsigned int >(val2); ecode3 = SWIG_AsVal_int(geomSteps, &val3); if (!SWIG_IsOK(ecode3)) {
25940     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "OBForceField_RandomRotorSearchInitialize" "', argument " "3"" of type '" "unsigned int""'"); }
25941     arg3 = static_cast< unsigned int >(val3); (arg1)->RandomRotorSearchInitialize(arg2,arg3); r_ans = R_NilValue;
25942   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_RandomRotorSearchInitialize__SWIG_1(SEXP self,SEXP conformers)25943 SWIGEXPORT SEXP R_swig_OBForceField_RandomRotorSearchInitialize__SWIG_1 ( SEXP self, SEXP conformers) {
25944   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
25945   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25946   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25947     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_RandomRotorSearchInitialize" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25948    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); ecode2 = SWIG_AsVal_int(conformers, &val2);
25949   if (!SWIG_IsOK(ecode2)) {
25950     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBForceField_RandomRotorSearchInitialize" "', argument " "2"" of type '" "unsigned int""'"); }
25951     arg2 = static_cast< unsigned int >(val2); (arg1)->RandomRotorSearchInitialize(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
25952   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_RandomRotorSearchNextConformer__SWIG_0(SEXP self,SEXP geomSteps,SEXP s_swig_copy)25953 SWIGEXPORT SEXP R_swig_OBForceField_RandomRotorSearchNextConformer__SWIG_0 ( SEXP self, SEXP geomSteps, SEXP s_swig_copy) {
25954   bool result; OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; unsigned int arg2 ; void *argp1 = 0 ;
25955   int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
25956   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 );
25957   if (!SWIG_IsOK(res1)) {
25958     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_RandomRotorSearchNextConformer" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25959    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); ecode2 = SWIG_AsVal_int(geomSteps, &val2);
25960   if (!SWIG_IsOK(ecode2)) {
25961     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBForceField_RandomRotorSearchNextConformer" "', argument " "2"" of type '" "unsigned int""'"); }
25962     arg2 = static_cast< unsigned int >(val2); result = (bool)(arg1)->RandomRotorSearchNextConformer(arg2);
25963   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_RandomRotorSearchNextConformer__SWIG_1(SEXP self,SEXP s_swig_copy)25964 SWIGEXPORT SEXP R_swig_OBForceField_RandomRotorSearchNextConformer__SWIG_1 ( SEXP self, SEXP s_swig_copy) { bool result;
25965   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
25966   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25967   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25968     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_RandomRotorSearchNextConformer" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25969    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); result = (bool)(arg1)->RandomRotorSearchNextConformer();
25970   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_WeightedRotorSearch(SEXP self,SEXP conformers,SEXP geomSteps)25971 SWIGEXPORT SEXP R_swig_OBForceField_WeightedRotorSearch ( SEXP self, SEXP conformers, SEXP geomSteps) {
25972   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; unsigned int arg2 ; unsigned int arg3 ; void *argp1 = 0 ;
25973   int res1 = 0 ; int val2 ; int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
25974   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 );
25975   if (!SWIG_IsOK(res1)) {
25976     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_WeightedRotorSearch" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25977    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); ecode2 = SWIG_AsVal_int(conformers, &val2);
25978   if (!SWIG_IsOK(ecode2)) {
25979     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBForceField_WeightedRotorSearch" "', argument " "2"" of type '" "unsigned int""'"); }
25980     arg2 = static_cast< unsigned int >(val2); ecode3 = SWIG_AsVal_int(geomSteps, &val3); if (!SWIG_IsOK(ecode3)) {
25981     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "OBForceField_WeightedRotorSearch" "', argument " "3"" of type '" "unsigned int""'"); }
25982     arg3 = static_cast< unsigned int >(val3); (arg1)->WeightedRotorSearch(arg2,arg3); r_ans = R_NilValue; vmaxset(r_vmax);
25983   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_FastRotorSearch__SWIG_0(SEXP self,SEXP permute,SEXP s_swig_copy)25984 SWIGEXPORT SEXP R_swig_OBForceField_FastRotorSearch__SWIG_0 ( SEXP self, SEXP permute, SEXP s_swig_copy) { int result;
25985   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
25986   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25987   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25988     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_FastRotorSearch" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25989    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); arg2 = LOGICAL(permute)[0] ? true : false;
25990   result = (int)(arg1)->FastRotorSearch(arg2); r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax);
25991   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_FastRotorSearch__SWIG_1(SEXP self,SEXP s_swig_copy)25992 SWIGEXPORT SEXP R_swig_OBForceField_FastRotorSearch__SWIG_1 ( SEXP self, SEXP s_swig_copy) { int result;
25993   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
25994   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
25995   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
25996     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_FastRotorSearch" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
25997    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); result = (int)(arg1)->FastRotorSearch();
25998   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
25999 SWIGEXPORT SEXP
R_swig_OBForceField_DiverseConfGen__SWIG_0(SEXP self,SEXP rmsd,SEXP nconfs,SEXP energy_gap,SEXP verbose,SEXP s_swig_copy)26000 R_swig_OBForceField_DiverseConfGen__SWIG_0 ( SEXP self, SEXP rmsd, SEXP nconfs, SEXP energy_gap, SEXP verbose, SEXP s_swig_copy)
26001 { int result; OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; double arg2 ; unsigned int arg3 ; double arg4 ;
26002   bool arg5 ; void *argp1 = 0 ; int res1 = 0 ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0;
26003   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26004   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
26005     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_DiverseConfGen" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
26006    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); arg2 = static_cast< double >(REAL(rmsd)[0]);
26007   ecode3 = SWIG_AsVal_int(nconfs, &val3); if (!SWIG_IsOK(ecode3)) {
26008     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "OBForceField_DiverseConfGen" "', argument " "3"" of type '" "unsigned int""'"); }
26009     arg3 = static_cast< unsigned int >(val3); arg4 = static_cast< double >(REAL(energy_gap)[0]);
26010   arg5 = LOGICAL(verbose)[0] ? true : false; result = (int)(arg1)->DiverseConfGen(arg2,arg3,arg4,arg5);
26011   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
26012 SWIGEXPORT SEXP
R_swig_OBForceField_DiverseConfGen__SWIG_1(SEXP self,SEXP rmsd,SEXP nconfs,SEXP energy_gap,SEXP s_swig_copy)26013 R_swig_OBForceField_DiverseConfGen__SWIG_1 ( SEXP self, SEXP rmsd, SEXP nconfs, SEXP energy_gap, SEXP s_swig_copy) { int result;
26014   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; double arg2 ; unsigned int arg3 ; double arg4 ;
26015   void *argp1 = 0 ; int res1 = 0 ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
26016   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 );
26017   if (!SWIG_IsOK(res1)) {
26018     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_DiverseConfGen" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
26019    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); arg2 = static_cast< double >(REAL(rmsd)[0]);
26020   ecode3 = SWIG_AsVal_int(nconfs, &val3); if (!SWIG_IsOK(ecode3)) {
26021     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "OBForceField_DiverseConfGen" "', argument " "3"" of type '" "unsigned int""'"); }
26022     arg3 = static_cast< unsigned int >(val3); arg4 = static_cast< double >(REAL(energy_gap)[0]);
26023   result = (int)(arg1)->DiverseConfGen(arg2,arg3,arg4); r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax);
26024   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_DiverseConfGen__SWIG_2(SEXP self,SEXP rmsd,SEXP nconfs,SEXP s_swig_copy)26025 SWIGEXPORT SEXP R_swig_OBForceField_DiverseConfGen__SWIG_2 ( SEXP self, SEXP rmsd, SEXP nconfs, SEXP s_swig_copy) { int result;
26026   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; double arg2 ; unsigned int arg3 ; void *argp1 = 0 ;
26027   int res1 = 0 ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
26028   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 );
26029   if (!SWIG_IsOK(res1)) {
26030     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_DiverseConfGen" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
26031    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); arg2 = static_cast< double >(REAL(rmsd)[0]);
26032   ecode3 = SWIG_AsVal_int(nconfs, &val3); if (!SWIG_IsOK(ecode3)) {
26033     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "OBForceField_DiverseConfGen" "', argument " "3"" of type '" "unsigned int""'"); }
26034     arg3 = static_cast< unsigned int >(val3); result = (int)(arg1)->DiverseConfGen(arg2,arg3); r_ans = Rf_ScalarInteger(result);
26035   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_DiverseConfGen__SWIG_3(SEXP self,SEXP rmsd,SEXP s_swig_copy)26036 SWIGEXPORT SEXP R_swig_OBForceField_DiverseConfGen__SWIG_3 ( SEXP self, SEXP rmsd, SEXP s_swig_copy) { int result;
26037   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; double arg2 ; void *argp1 = 0 ; int res1 = 0 ;
26038   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26039   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
26040     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_DiverseConfGen" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
26041    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); arg2 = static_cast< double >(REAL(rmsd)[0]);
26042   result = (int)(arg1)->DiverseConfGen(arg2); r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax);
26043   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_SetLineSearchType(SEXP self,SEXP type)26044 SWIGEXPORT SEXP R_swig_OBForceField_SetLineSearchType ( SEXP self, SEXP type) {
26045   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
26046   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26047   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
26048     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_SetLineSearchType" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
26049    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); arg2 = static_cast< int >(INTEGER(type)[0]);
26050   (arg1)->SetLineSearchType(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_GetLineSearchType(SEXP self,SEXP s_swig_copy)26051 SWIGEXPORT SEXP R_swig_OBForceField_GetLineSearchType ( SEXP self, SEXP s_swig_copy) { int result;
26052   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
26053   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26054   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
26055     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_GetLineSearchType" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
26056    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); result = (int)(arg1)->GetLineSearchType();
26057   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_LineSearch__SWIG_0(SEXP self,SEXP atom,SEXP direction,SEXP s_swig_copy)26058 SWIGEXPORT SEXP R_swig_OBForceField_LineSearch__SWIG_0 ( SEXP self, SEXP atom, SEXP direction, SEXP s_swig_copy) {
26059   OpenBabel::vector3 result; OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ;
26060   OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; OpenBabel::vector3 *arg3 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
26061   void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
26062   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 );
26063   if (!SWIG_IsOK(res1)) {
26064     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_LineSearch" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
26065    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1);
26066   res2 = SWIG_R_ConvertPtr(atom, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
26067     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBForceField_LineSearch" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
26068    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2);
26069   res3 = SWIG_R_ConvertPtr(direction, &argp3, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res3)) {
26070     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBForceField_LineSearch" "', argument " "3"" of type '" "OpenBabel::vector3 &""'");  }
26071    if (!argp3) {
26072     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBForceField_LineSearch" "', argument " "3"" of type '" "OpenBabel::vector3 &""'"); }
26073    arg3 = reinterpret_cast< OpenBabel::vector3 * >(argp3); result = (arg1)->LineSearch(arg2,*arg3);
26074   r_ans = SWIG_R_NewPointerObj((new OpenBabel::vector3(static_cast< const OpenBabel::vector3& >(result))), SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_OWN |  0 );
26075   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_LineSearch__SWIG_1(SEXP self,SEXP currentCoords,SEXP direction,SEXP s_swig_copy)26076 SWIGEXPORT SEXP R_swig_OBForceField_LineSearch__SWIG_1 ( SEXP self, SEXP currentCoords, SEXP direction, SEXP s_swig_copy) {
26077   double result; OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; double *arg2 = (double *) 0 ;
26078   double *arg3 = (double *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
26079   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 );
26080   if (!SWIG_IsOK(res1)) {
26081     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_LineSearch" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
26082    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); { { int _rswigi; int _rswiglen = LENGTH(currentCoords);
26083       arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
26084         arg2[_rswigi] = REAL(currentCoords)[_rswigi]; }  }  }  { { int _rswigi; int _rswiglen = LENGTH(direction);
26085       arg3 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
26086         arg3[_rswigi] = REAL(direction)[_rswigi]; }  }  }  result = (double)(arg1)->LineSearch(arg2,arg3);
26087   r_ans = SWIG_From_double(static_cast< double >(result)); free(arg2); free(arg3); vmaxset(r_vmax);
26088   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_Newton2NumLineSearch(SEXP self,SEXP direction,SEXP s_swig_copy)26089 SWIGEXPORT SEXP R_swig_OBForceField_Newton2NumLineSearch ( SEXP self, SEXP direction, SEXP s_swig_copy) { double result;
26090   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; double *arg2 = (double *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
26091   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26092   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
26093     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_Newton2NumLineSearch" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
26094    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); { { int _rswigi; int _rswiglen = LENGTH(direction);
26095       arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
26096         arg2[_rswigi] = REAL(direction)[_rswigi]; }  }  }  result = (double)(arg1)->Newton2NumLineSearch(arg2);
26097   r_ans = SWIG_From_double(static_cast< double >(result)); free(arg2); vmaxset(r_vmax);
26098   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_LineSearchTakeStep(SEXP self,SEXP origCoords,SEXP direction,SEXP step)26099 SWIGEXPORT SEXP R_swig_OBForceField_LineSearchTakeStep ( SEXP self, SEXP origCoords, SEXP direction, SEXP step) {
26100   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; double *arg2 = (double *) 0 ; double *arg3 = (double *) 0 ;
26101   double arg4 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
26102   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 );
26103   if (!SWIG_IsOK(res1)) {
26104     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_LineSearchTakeStep" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
26105    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); { { int _rswigi; int _rswiglen = LENGTH(origCoords);
26106       arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
26107         arg2[_rswigi] = REAL(origCoords)[_rswigi]; }  }  }  { { int _rswigi; int _rswiglen = LENGTH(direction);
26108       arg3 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
26109         arg3[_rswigi] = REAL(direction)[_rswigi]; }  }  }  arg4 = static_cast< double >(REAL(step)[0]);
26110   (arg1)->LineSearchTakeStep(arg2,arg3,arg4); r_ans = R_NilValue; free(arg2); free(arg3); vmaxset(r_vmax);
26111   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_SteepestDescent__SWIG_0(SEXP self,SEXP steps,SEXP econv,SEXP method)26112 SWIGEXPORT SEXP R_swig_OBForceField_SteepestDescent__SWIG_0 ( SEXP self, SEXP steps, SEXP econv, SEXP method) {
26113   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; int arg2 ; double arg3 ; int arg4 ; void *argp1 = 0 ;
26114   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26115   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
26116     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_SteepestDescent" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
26117    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); arg2 = static_cast< int >(INTEGER(steps)[0]);
26118   arg3 = static_cast< double >(REAL(econv)[0]); arg4 = static_cast< int >(INTEGER(method)[0]);
26119   (arg1)->SteepestDescent(arg2,arg3,arg4); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
26120   return r_ans; }
R_swig_OBForceField_SteepestDescent__SWIG_1(SEXP self,SEXP steps,SEXP econv)26121 SWIGEXPORT SEXP R_swig_OBForceField_SteepestDescent__SWIG_1 ( SEXP self, SEXP steps, SEXP econv) {
26122   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; int arg2 ; double arg3 ; void *argp1 = 0 ; int res1 = 0 ;
26123   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26124   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
26125     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_SteepestDescent" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
26126    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); arg2 = static_cast< int >(INTEGER(steps)[0]);
26127   arg3 = static_cast< double >(REAL(econv)[0]); (arg1)->SteepestDescent(arg2,arg3); r_ans = R_NilValue; vmaxset(r_vmax);
26128   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_SteepestDescent__SWIG_2(SEXP self,SEXP steps)26129 SWIGEXPORT SEXP R_swig_OBForceField_SteepestDescent__SWIG_2 ( SEXP self, SEXP steps) {
26130   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
26131   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26132   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
26133     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_SteepestDescent" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
26134    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); arg2 = static_cast< int >(INTEGER(steps)[0]);
26135   (arg1)->SteepestDescent(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_SteepestDescentInitialize__SWIG_0(SEXP self,SEXP steps,SEXP econv,SEXP method)26136 SWIGEXPORT SEXP R_swig_OBForceField_SteepestDescentInitialize__SWIG_0 ( SEXP self, SEXP steps, SEXP econv, SEXP method) {
26137   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; int arg2 ; double arg3 ; int arg4 ; void *argp1 = 0 ;
26138   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26139   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
26140     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_SteepestDescentInitialize" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
26141    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); arg2 = static_cast< int >(INTEGER(steps)[0]);
26142   arg3 = static_cast< double >(REAL(econv)[0]); arg4 = static_cast< int >(INTEGER(method)[0]);
26143   (arg1)->SteepestDescentInitialize(arg2,arg3,arg4); r_ans = R_NilValue; vmaxset(r_vmax);
26144   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_SteepestDescentInitialize__SWIG_1(SEXP self,SEXP steps,SEXP econv)26145 SWIGEXPORT SEXP R_swig_OBForceField_SteepestDescentInitialize__SWIG_1 ( SEXP self, SEXP steps, SEXP econv) {
26146   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; int arg2 ; double arg3 ; void *argp1 = 0 ; int res1 = 0 ;
26147   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26148   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
26149     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_SteepestDescentInitialize" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
26150    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); arg2 = static_cast< int >(INTEGER(steps)[0]);
26151   arg3 = static_cast< double >(REAL(econv)[0]); (arg1)->SteepestDescentInitialize(arg2,arg3); r_ans = R_NilValue;
26152   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_SteepestDescentInitialize__SWIG_2(SEXP self,SEXP steps)26153 SWIGEXPORT SEXP R_swig_OBForceField_SteepestDescentInitialize__SWIG_2 ( SEXP self, SEXP steps) {
26154   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
26155   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26156   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
26157     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_SteepestDescentInitialize" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
26158    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); arg2 = static_cast< int >(INTEGER(steps)[0]);
26159   (arg1)->SteepestDescentInitialize(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
26160   return r_ans; }
R_swig_OBForceField_SteepestDescentInitialize__SWIG_3(SEXP self)26161 SWIGEXPORT SEXP R_swig_OBForceField_SteepestDescentInitialize__SWIG_3 ( SEXP self) {
26162   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
26163   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26164   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
26165     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_SteepestDescentInitialize" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
26166    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); (arg1)->SteepestDescentInitialize(); r_ans = R_NilValue;
26167   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_SteepestDescentTakeNSteps(SEXP self,SEXP n,SEXP s_swig_copy)26168 SWIGEXPORT SEXP R_swig_OBForceField_SteepestDescentTakeNSteps ( SEXP self, SEXP n, SEXP s_swig_copy) { bool result;
26169   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
26170   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26171   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
26172     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_SteepestDescentTakeNSteps" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
26173    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); arg2 = static_cast< int >(INTEGER(n)[0]);
26174   result = (bool)(arg1)->SteepestDescentTakeNSteps(arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
26175   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_ConjugateGradients__SWIG_0(SEXP self,SEXP steps,SEXP econv,SEXP method)26176 SWIGEXPORT SEXP R_swig_OBForceField_ConjugateGradients__SWIG_0 ( SEXP self, SEXP steps, SEXP econv, SEXP method) {
26177   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; int arg2 ; double arg3 ; int arg4 ; void *argp1 = 0 ;
26178   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26179   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
26180     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_ConjugateGradients" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
26181    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); arg2 = static_cast< int >(INTEGER(steps)[0]);
26182   arg3 = static_cast< double >(REAL(econv)[0]); arg4 = static_cast< int >(INTEGER(method)[0]);
26183   (arg1)->ConjugateGradients(arg2,arg3,arg4); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
26184   return r_ans; }
R_swig_OBForceField_ConjugateGradients__SWIG_1(SEXP self,SEXP steps,SEXP econv)26185 SWIGEXPORT SEXP R_swig_OBForceField_ConjugateGradients__SWIG_1 ( SEXP self, SEXP steps, SEXP econv) {
26186   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; int arg2 ; double arg3 ; void *argp1 = 0 ; int res1 = 0 ;
26187   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26188   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
26189     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_ConjugateGradients" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
26190    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); arg2 = static_cast< int >(INTEGER(steps)[0]);
26191   arg3 = static_cast< double >(REAL(econv)[0]); (arg1)->ConjugateGradients(arg2,arg3); r_ans = R_NilValue; vmaxset(r_vmax);
26192   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_ConjugateGradients__SWIG_2(SEXP self,SEXP steps)26193 SWIGEXPORT SEXP R_swig_OBForceField_ConjugateGradients__SWIG_2 ( SEXP self, SEXP steps) {
26194   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
26195   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26196   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
26197     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_ConjugateGradients" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
26198    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); arg2 = static_cast< int >(INTEGER(steps)[0]);
26199   (arg1)->ConjugateGradients(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
26200   return r_ans; }
R_swig_OBForceField_ConjugateGradientsInitialize__SWIG_0(SEXP self,SEXP steps,SEXP econv,SEXP method)26201 SWIGEXPORT SEXP R_swig_OBForceField_ConjugateGradientsInitialize__SWIG_0 ( SEXP self, SEXP steps, SEXP econv, SEXP method) {
26202   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; int arg2 ; double arg3 ; int arg4 ; void *argp1 = 0 ;
26203   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26204   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
26205     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_ConjugateGradientsInitialize" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
26206    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); arg2 = static_cast< int >(INTEGER(steps)[0]);
26207   arg3 = static_cast< double >(REAL(econv)[0]); arg4 = static_cast< int >(INTEGER(method)[0]);
26208   (arg1)->ConjugateGradientsInitialize(arg2,arg3,arg4); r_ans = R_NilValue; vmaxset(r_vmax);
26209   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_ConjugateGradientsInitialize__SWIG_1(SEXP self,SEXP steps,SEXP econv)26210 SWIGEXPORT SEXP R_swig_OBForceField_ConjugateGradientsInitialize__SWIG_1 ( SEXP self, SEXP steps, SEXP econv) {
26211   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; int arg2 ; double arg3 ; void *argp1 = 0 ; int res1 = 0 ;
26212   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26213   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
26214     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_ConjugateGradientsInitialize" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
26215    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); arg2 = static_cast< int >(INTEGER(steps)[0]);
26216   arg3 = static_cast< double >(REAL(econv)[0]); (arg1)->ConjugateGradientsInitialize(arg2,arg3); r_ans = R_NilValue;
26217   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_ConjugateGradientsInitialize__SWIG_2(SEXP self,SEXP steps)26218 SWIGEXPORT SEXP R_swig_OBForceField_ConjugateGradientsInitialize__SWIG_2 ( SEXP self, SEXP steps) {
26219   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
26220   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26221   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
26222     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_ConjugateGradientsInitialize" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
26223    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); arg2 = static_cast< int >(INTEGER(steps)[0]);
26224   (arg1)->ConjugateGradientsInitialize(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
26225   return r_ans; }
R_swig_OBForceField_ConjugateGradientsInitialize__SWIG_3(SEXP self)26226 SWIGEXPORT SEXP R_swig_OBForceField_ConjugateGradientsInitialize__SWIG_3 ( SEXP self) {
26227   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
26228   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26229   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
26230     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_ConjugateGradientsInitialize" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
26231    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); (arg1)->ConjugateGradientsInitialize(); r_ans = R_NilValue;
26232   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_ConjugateGradientsTakeNSteps(SEXP self,SEXP n,SEXP s_swig_copy)26233 SWIGEXPORT SEXP R_swig_OBForceField_ConjugateGradientsTakeNSteps ( SEXP self, SEXP n, SEXP s_swig_copy) { bool result;
26234   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
26235   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26236   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
26237     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_ConjugateGradientsTakeNSteps" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
26238    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); arg2 = static_cast< int >(INTEGER(n)[0]);
26239   result = (bool)(arg1)->ConjugateGradientsTakeNSteps(arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
26240   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_GenerateVelocities(SEXP self)26241 SWIGEXPORT SEXP R_swig_OBForceField_GenerateVelocities ( SEXP self) {
26242   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
26243   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26244   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
26245     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_GenerateVelocities" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
26246    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); (arg1)->GenerateVelocities(); r_ans = R_NilValue;
26247   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_CorrectVelocities(SEXP self)26248 SWIGEXPORT SEXP R_swig_OBForceField_CorrectVelocities ( SEXP self) {
26249   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
26250   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26251   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
26252     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_CorrectVelocities" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
26253    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); (arg1)->CorrectVelocities(); r_ans = R_NilValue;
26254   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_MolecularDynamicsTakeNSteps__SWIG_0(SEXP self,SEXP n,SEXP T,SEXP timestep,SEXP method)26255 SWIGEXPORT SEXP R_swig_OBForceField_MolecularDynamicsTakeNSteps__SWIG_0 ( SEXP self, SEXP n, SEXP T, SEXP timestep, SEXP method)
26256 { OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; int arg2 ; double arg3 ; double arg4 ; int arg5 ;
26257   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26258   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
26259     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_MolecularDynamicsTakeNSteps" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
26260    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); arg2 = static_cast< int >(INTEGER(n)[0]);
26261   arg3 = static_cast< double >(REAL(T)[0]); arg4 = static_cast< double >(REAL(timestep)[0]);
26262   arg5 = static_cast< int >(INTEGER(method)[0]); (arg1)->MolecularDynamicsTakeNSteps(arg2,arg3,arg4,arg5); r_ans = R_NilValue;
26263   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_MolecularDynamicsTakeNSteps__SWIG_1(SEXP self,SEXP n,SEXP T,SEXP timestep)26264 SWIGEXPORT SEXP R_swig_OBForceField_MolecularDynamicsTakeNSteps__SWIG_1 ( SEXP self, SEXP n, SEXP T, SEXP timestep) {
26265   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; int arg2 ; double arg3 ; double arg4 ; void *argp1 = 0 ;
26266   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26267   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
26268     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_MolecularDynamicsTakeNSteps" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
26269    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); arg2 = static_cast< int >(INTEGER(n)[0]);
26270   arg3 = static_cast< double >(REAL(T)[0]); arg4 = static_cast< double >(REAL(timestep)[0]);
26271   (arg1)->MolecularDynamicsTakeNSteps(arg2,arg3,arg4); r_ans = R_NilValue; vmaxset(r_vmax);
26272   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_MolecularDynamicsTakeNSteps__SWIG_2(SEXP self,SEXP n,SEXP T)26273 SWIGEXPORT SEXP R_swig_OBForceField_MolecularDynamicsTakeNSteps__SWIG_2 ( SEXP self, SEXP n, SEXP T) {
26274   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; int arg2 ; double arg3 ; void *argp1 = 0 ; int res1 = 0 ;
26275   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26276   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
26277     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_MolecularDynamicsTakeNSteps" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
26278    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); arg2 = static_cast< int >(INTEGER(n)[0]);
26279   arg3 = static_cast< double >(REAL(T)[0]); (arg1)->MolecularDynamicsTakeNSteps(arg2,arg3); r_ans = R_NilValue; vmaxset(r_vmax);
26280   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_GetConstraints(SEXP self,SEXP s_swig_copy)26281 SWIGEXPORT SEXP R_swig_OBForceField_GetConstraints ( SEXP self, SEXP s_swig_copy) { OpenBabel::OBFFConstraints *result = 0 ;
26282   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
26283   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26284   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
26285     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_GetConstraints" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
26286    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1);
26287   result = (OpenBabel::OBFFConstraints *) &(arg1)->GetConstraints();
26288   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBFFConstraints, R_SWIG_EXTERNAL |  0 );
26289   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_SetConstraints(SEXP self,SEXP constraints)26290 SWIGEXPORT SEXP R_swig_OBForceField_SetConstraints ( SEXP self, SEXP constraints) {
26291   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; OpenBabel::OBFFConstraints *arg2 = 0 ; void *argp1 = 0 ;
26292   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
26293   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 );
26294   if (!SWIG_IsOK(res1)) {
26295     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_SetConstraints" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
26296    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1);
26297   res2 = SWIG_R_ConvertPtr(constraints, &argp2, SWIGTYPE_p_OpenBabel__OBFFConstraints,  0 ); if (!SWIG_IsOK(res2)) {
26298     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBForceField_SetConstraints" "', argument " "2"" of type '" "OpenBabel::OBFFConstraints &""'");  }
26299    if (!argp2) {
26300     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBForceField_SetConstraints" "', argument " "2"" of type '" "OpenBabel::OBFFConstraints &""'"); }
26301    arg2 = reinterpret_cast< OpenBabel::OBFFConstraints * >(argp2); (arg1)->SetConstraints(*arg2); r_ans = R_NilValue;
26302   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_SetFixAtom(SEXP self,SEXP index)26303 SWIGEXPORT SEXP R_swig_OBForceField_SetFixAtom ( SEXP self, SEXP index) {
26304   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
26305   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26306   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
26307     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_SetFixAtom" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
26308    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); arg2 = static_cast< int >(INTEGER(index)[0]);
26309   (arg1)->SetFixAtom(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_UnsetFixAtom(SEXP self)26310 SWIGEXPORT SEXP R_swig_OBForceField_UnsetFixAtom ( SEXP self) { OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ;
26311   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26312   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
26313     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_UnsetFixAtom" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
26314    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); (arg1)->UnsetFixAtom(); r_ans = R_NilValue; vmaxset(r_vmax);
26315   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_SetIgnoreAtom(SEXP self,SEXP index)26316 SWIGEXPORT SEXP R_swig_OBForceField_SetIgnoreAtom ( SEXP self, SEXP index) {
26317   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
26318   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26319   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
26320     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_SetIgnoreAtom" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
26321    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); arg2 = static_cast< int >(INTEGER(index)[0]);
26322   (arg1)->SetIgnoreAtom(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_UnsetIgnoreAtom(SEXP self)26323 SWIGEXPORT SEXP R_swig_OBForceField_UnsetIgnoreAtom ( SEXP self) {
26324   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
26325   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26326   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
26327     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_UnsetIgnoreAtom" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
26328    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); (arg1)->UnsetIgnoreAtom(); r_ans = R_NilValue; vmaxset(r_vmax);
26329   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_IgnoreCalculation__SWIG_0(SEXP a,SEXP b,SEXP s_swig_copy)26330 SWIGEXPORT SEXP R_swig_OBForceField_IgnoreCalculation__SWIG_0 ( SEXP a, SEXP b, SEXP s_swig_copy) { bool result; int arg1 ;
26331   int arg2 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26332   arg1 = static_cast< int >(INTEGER(a)[0]); arg2 = static_cast< int >(INTEGER(b)[0]);
26333   result = (bool)OpenBabel::OBForceField::IgnoreCalculation(arg1,arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
26334   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_IgnoreCalculation__SWIG_1(SEXP a,SEXP b,SEXP c,SEXP s_swig_copy)26335 SWIGEXPORT SEXP R_swig_OBForceField_IgnoreCalculation__SWIG_1 ( SEXP a, SEXP b, SEXP c, SEXP s_swig_copy) { bool result;
26336   int arg1 ; int arg2 ; int arg3 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26337   arg1 = static_cast< int >(INTEGER(a)[0]); arg2 = static_cast< int >(INTEGER(b)[0]); arg3 = static_cast< int >(INTEGER(c)[0]);
26338   result = (bool)OpenBabel::OBForceField::IgnoreCalculation(arg1,arg2,arg3); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
26339   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_IgnoreCalculation__SWIG_2(SEXP a,SEXP b,SEXP c,SEXP d,SEXP s_swig_copy)26340 SWIGEXPORT SEXP R_swig_OBForceField_IgnoreCalculation__SWIG_2 ( SEXP a, SEXP b, SEXP c, SEXP d, SEXP s_swig_copy) { bool result;
26341   int arg1 ; int arg2 ; int arg3 ; int arg4 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
26342   VMAXTYPE r_vmax = vmaxget() ; arg1 = static_cast< int >(INTEGER(a)[0]); arg2 = static_cast< int >(INTEGER(b)[0]);
26343   arg3 = static_cast< int >(INTEGER(c)[0]); arg4 = static_cast< int >(INTEGER(d)[0]);
26344   result = (bool)OpenBabel::OBForceField::IgnoreCalculation(arg1,arg2,arg3,arg4); r_ans = Rf_ScalarLogical(result);
26345   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_DetectExplosion(SEXP self,SEXP s_swig_copy)26346 SWIGEXPORT SEXP R_swig_OBForceField_DetectExplosion ( SEXP self, SEXP s_swig_copy) { bool result;
26347   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
26348   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26349   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
26350     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_DetectExplosion" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
26351    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); result = (bool)(arg1)->DetectExplosion();
26352   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_ValidateLineSearch(SEXP self,SEXP atom,SEXP direction,SEXP s_swig_copy)26353 SWIGEXPORT SEXP R_swig_OBForceField_ValidateLineSearch ( SEXP self, SEXP atom, SEXP direction, SEXP s_swig_copy) {
26354   OpenBabel::vector3 result; OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ;
26355   OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ; OpenBabel::vector3 *arg3 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
26356   void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
26357   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 );
26358   if (!SWIG_IsOK(res1)) {
26359     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_ValidateLineSearch" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
26360    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1);
26361   res2 = SWIG_R_ConvertPtr(atom, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
26362     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBForceField_ValidateLineSearch" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
26363    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2);
26364   res3 = SWIG_R_ConvertPtr(direction, &argp3, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res3)) {
26365     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBForceField_ValidateLineSearch" "', argument " "3"" of type '" "OpenBabel::vector3 &""'");  }
26366    if (!argp3) {
26367     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBForceField_ValidateLineSearch" "', argument " "3"" of type '" "OpenBabel::vector3 &""'"); }
26368    arg3 = reinterpret_cast< OpenBabel::vector3 * >(argp3); result = (arg1)->ValidateLineSearch(arg2,*arg3);
26369   r_ans = SWIG_R_NewPointerObj((new OpenBabel::vector3(static_cast< const OpenBabel::vector3& >(result))), SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_OWN |  0 );
26370   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_ValidateSteepestDescent(SEXP self,SEXP steps)26371 SWIGEXPORT SEXP R_swig_OBForceField_ValidateSteepestDescent ( SEXP self, SEXP steps) {
26372   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
26373   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26374   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
26375     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_ValidateSteepestDescent" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
26376    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); arg2 = static_cast< int >(INTEGER(steps)[0]);
26377   (arg1)->ValidateSteepestDescent(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
26378   return r_ans; }
R_swig_OBForceField_ValidateConjugateGradients(SEXP self,SEXP steps)26379 SWIGEXPORT SEXP R_swig_OBForceField_ValidateConjugateGradients ( SEXP self, SEXP steps) {
26380   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
26381   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26382   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
26383     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_ValidateConjugateGradients" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
26384    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); arg2 = static_cast< int >(INTEGER(steps)[0]);
26385   (arg1)->ValidateConjugateGradients(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
26386   return r_ans; }
R_swig_OBForceField_Validate(SEXP self,SEXP s_swig_copy)26387 SWIGEXPORT SEXP R_swig_OBForceField_Validate ( SEXP self, SEXP s_swig_copy) { bool result;
26388   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
26389   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26390   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
26391     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_Validate" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
26392    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); result = (bool)(arg1)->Validate();
26393   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_ValidateGradients(SEXP self,SEXP s_swig_copy)26394 SWIGEXPORT SEXP R_swig_OBForceField_ValidateGradients ( SEXP self, SEXP s_swig_copy) { bool result;
26395   OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
26396   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26397   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
26398     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_ValidateGradients" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
26399    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1); result = (bool)(arg1)->ValidateGradients();
26400   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_ValidateGradientError(SEXP self,SEXP numgrad,SEXP anagrad,SEXP s_swig_copy)26401 SWIGEXPORT SEXP R_swig_OBForceField_ValidateGradientError ( SEXP self, SEXP numgrad, SEXP anagrad, SEXP s_swig_copy) {
26402   OpenBabel::vector3 result; OpenBabel::OBForceField *arg1 = (OpenBabel::OBForceField *) 0 ; OpenBabel::vector3 *arg2 = 0 ;
26403   OpenBabel::vector3 *arg3 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ;
26404   int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26405   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBForceField, 0 |  0 ); if (!SWIG_IsOK(res1)) {
26406     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_ValidateGradientError" "', argument " "1"" of type '" "OpenBabel::OBForceField *""'");  }
26407    arg1 = reinterpret_cast< OpenBabel::OBForceField * >(argp1);
26408   res2 = SWIG_R_ConvertPtr(numgrad, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
26409     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBForceField_ValidateGradientError" "', argument " "2"" of type '" "OpenBabel::vector3 &""'");  }
26410    if (!argp2) {
26411     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBForceField_ValidateGradientError" "', argument " "2"" of type '" "OpenBabel::vector3 &""'"); }
26412    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2);
26413   res3 = SWIG_R_ConvertPtr(anagrad, &argp3, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res3)) {
26414     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBForceField_ValidateGradientError" "', argument " "3"" of type '" "OpenBabel::vector3 &""'");  }
26415    if (!argp3) {
26416     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBForceField_ValidateGradientError" "', argument " "3"" of type '" "OpenBabel::vector3 &""'"); }
26417    arg3 = reinterpret_cast< OpenBabel::vector3 * >(argp3); result = (arg1)->ValidateGradientError(*arg2,*arg3);
26418   r_ans = SWIG_R_NewPointerObj((new OpenBabel::vector3(static_cast< const OpenBabel::vector3& >(result))), SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_OWN |  0 );
26419   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_VectorBondDerivative(SEXP pos_a,SEXP pos_b,SEXP force_a,SEXP force_b,SEXP s_swig_copy)26420 SWIGEXPORT SEXP R_swig_OBForceField_VectorBondDerivative ( SEXP pos_a, SEXP pos_b, SEXP force_a, SEXP force_b, SEXP s_swig_copy)
26421 { double result; double *arg1 = (double *) 0 ; double *arg2 = (double *) 0 ; double *arg3 = (double *) 0 ;
26422   double *arg4 = (double *) 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; { {
26423       int _rswigi; int _rswiglen = LENGTH(pos_a); arg1 = static_cast< double * >(calloc(sizeof(double), _rswiglen));
26424       for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg1[_rswigi] = REAL(pos_a)[_rswigi]; }  }  }  { { int _rswigi;
26425       int _rswiglen = LENGTH(pos_b); arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen));
26426       for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg2[_rswigi] = REAL(pos_b)[_rswigi]; }  }  }  { { int _rswigi;
26427       int _rswiglen = LENGTH(force_a); arg3 = static_cast< double * >(calloc(sizeof(double), _rswiglen));
26428       for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg3[_rswigi] = REAL(force_a)[_rswigi]; }  }  }  { { int _rswigi;
26429       int _rswiglen = LENGTH(force_b); arg4 = static_cast< double * >(calloc(sizeof(double), _rswiglen));
26430       for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg4[_rswigi] = REAL(force_b)[_rswigi]; }  }  }
26431   result = (double)OpenBabel::OBForceField::VectorBondDerivative(arg1,arg2,arg3,arg4);
26432   r_ans = SWIG_From_double(static_cast< double >(result)); free(arg1); free(arg2); free(arg3); free(arg4); vmaxset(r_vmax);
26433   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
26434 SWIGEXPORT SEXP
R_swig_OBForceField_VectorDistanceDerivative(SEXP pos_i,SEXP pos_j,SEXP force_i,SEXP force_j,SEXP s_swig_copy)26435 R_swig_OBForceField_VectorDistanceDerivative ( SEXP pos_i, SEXP pos_j, SEXP force_i, SEXP force_j, SEXP s_swig_copy) {
26436   double result; double *arg1 = (double *) (double *)0 ; double *arg2 = (double *) (double *)0 ; double *arg3 = (double *) 0 ;
26437   double *arg4 = (double *) 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; { {
26438       int _rswigi; int _rswiglen = LENGTH(pos_i); arg1 = static_cast< double * >(calloc(sizeof(double), _rswiglen));
26439       for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg1[_rswigi] = REAL(pos_i)[_rswigi]; }  }  }  { { int _rswigi;
26440       int _rswiglen = LENGTH(pos_j); arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen));
26441       for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg2[_rswigi] = REAL(pos_j)[_rswigi]; }  }  }  { { int _rswigi;
26442       int _rswiglen = LENGTH(force_i); arg3 = static_cast< double * >(calloc(sizeof(double), _rswiglen));
26443       for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg3[_rswigi] = REAL(force_i)[_rswigi]; }  }  }  { { int _rswigi;
26444       int _rswiglen = LENGTH(force_j); arg4 = static_cast< double * >(calloc(sizeof(double), _rswiglen));
26445       for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg4[_rswigi] = REAL(force_j)[_rswigi]; }  }  }
26446   result = (double)OpenBabel::OBForceField::VectorDistanceDerivative((double const *)arg1,(double const *)arg2,arg3,arg4);
26447   r_ans = SWIG_From_double(static_cast< double >(result)); free(arg1); free(arg2); free(arg3); free(arg4); vmaxset(r_vmax);
26448   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_VectorLengthDerivative(SEXP a,SEXP b,SEXP s_swig_copy)26449 SWIGEXPORT SEXP R_swig_OBForceField_VectorLengthDerivative ( SEXP a, SEXP b, SEXP s_swig_copy) { double result;
26450   OpenBabel::vector3 *arg1 = 0 ; OpenBabel::vector3 *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
26451   int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26452   res1 = SWIG_R_ConvertPtr(a, &argp1, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res1)) {
26453     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_VectorLengthDerivative" "', argument " "1"" of type '" "OpenBabel::vector3 &""'");  }
26454    if (!argp1) {
26455     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBForceField_VectorLengthDerivative" "', argument " "1"" of type '" "OpenBabel::vector3 &""'"); }
26456    arg1 = reinterpret_cast< OpenBabel::vector3 * >(argp1);
26457   res2 = SWIG_R_ConvertPtr(b, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
26458     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBForceField_VectorLengthDerivative" "', argument " "2"" of type '" "OpenBabel::vector3 &""'");  }
26459    if (!argp2) {
26460     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBForceField_VectorLengthDerivative" "', argument " "2"" of type '" "OpenBabel::vector3 &""'"); }
26461    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2);
26462   result = (double)OpenBabel::OBForceField::VectorLengthDerivative(*arg1,*arg2);
26463   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
26464   return r_ans; }
26465 SWIGEXPORT SEXP
R_swig_OBForceField_VectorAngleDerivative__SWIG_0(SEXP pos_a,SEXP pos_b,SEXP pos_c,SEXP force_a,SEXP force_b,SEXP force_c,SEXP s_swig_copy)26466 R_swig_OBForceField_VectorAngleDerivative__SWIG_0 ( SEXP pos_a, SEXP pos_b, SEXP pos_c, SEXP force_a, SEXP force_b, SEXP force_c, SEXP s_swig_copy)
26467 { double result; double *arg1 = (double *) 0 ; double *arg2 = (double *) 0 ; double *arg3 = (double *) 0 ;
26468   double *arg4 = (double *) 0 ; double *arg5 = (double *) 0 ; double *arg6 = (double *) 0 ; unsigned int r_nprotect = 0;
26469   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; { { int _rswigi; int _rswiglen = LENGTH(pos_a);
26470       arg1 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
26471         arg1[_rswigi] = REAL(pos_a)[_rswigi]; }  }  }  { { int _rswigi; int _rswiglen = LENGTH(pos_b);
26472       arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
26473         arg2[_rswigi] = REAL(pos_b)[_rswigi]; }  }  }  { { int _rswigi; int _rswiglen = LENGTH(pos_c);
26474       arg3 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
26475         arg3[_rswigi] = REAL(pos_c)[_rswigi]; }  }  }  { { int _rswigi; int _rswiglen = LENGTH(force_a);
26476       arg4 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
26477         arg4[_rswigi] = REAL(force_a)[_rswigi]; }  }  }  { { int _rswigi; int _rswiglen = LENGTH(force_b);
26478       arg5 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
26479         arg5[_rswigi] = REAL(force_b)[_rswigi]; }  }  }  { { int _rswigi; int _rswiglen = LENGTH(force_c);
26480       arg6 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
26481         arg6[_rswigi] = REAL(force_c)[_rswigi]; }  }  }
26482   result = (double)OpenBabel::OBForceField::VectorAngleDerivative(arg1,arg2,arg3,arg4,arg5,arg6);
26483   r_ans = SWIG_From_double(static_cast< double >(result)); free(arg1); free(arg2); free(arg3); free(arg4); free(arg5);
26484   free(arg6); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_VectorAngleDerivative__SWIG_1(SEXP a,SEXP b,SEXP c,SEXP s_swig_copy)26485 SWIGEXPORT SEXP R_swig_OBForceField_VectorAngleDerivative__SWIG_1 ( SEXP a, SEXP b, SEXP c, SEXP s_swig_copy) { double result;
26486   OpenBabel::vector3 *arg1 = 0 ; OpenBabel::vector3 *arg2 = 0 ; OpenBabel::vector3 *arg3 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
26487   void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
26488   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(a, &argp1, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res1)) {
26489     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_VectorAngleDerivative" "', argument " "1"" of type '" "OpenBabel::vector3 &""'");  }
26490    if (!argp1) {
26491     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBForceField_VectorAngleDerivative" "', argument " "1"" of type '" "OpenBabel::vector3 &""'"); }
26492    arg1 = reinterpret_cast< OpenBabel::vector3 * >(argp1);
26493   res2 = SWIG_R_ConvertPtr(b, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
26494     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBForceField_VectorAngleDerivative" "', argument " "2"" of type '" "OpenBabel::vector3 &""'");  }
26495    if (!argp2) {
26496     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBForceField_VectorAngleDerivative" "', argument " "2"" of type '" "OpenBabel::vector3 &""'"); }
26497    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2);
26498   res3 = SWIG_R_ConvertPtr(c, &argp3, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res3)) {
26499     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBForceField_VectorAngleDerivative" "', argument " "3"" of type '" "OpenBabel::vector3 &""'");  }
26500    if (!argp3) {
26501     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBForceField_VectorAngleDerivative" "', argument " "3"" of type '" "OpenBabel::vector3 &""'"); }
26502    arg3 = reinterpret_cast< OpenBabel::vector3 * >(argp3);
26503   result = (double)OpenBabel::OBForceField::VectorAngleDerivative(*arg1,*arg2,*arg3);
26504   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
26505   return r_ans; }
26506 SWIGEXPORT SEXP
R_swig_OBForceField_VectorOOPDerivative__SWIG_0(SEXP pos_a,SEXP pos_b,SEXP pos_c,SEXP pos_d,SEXP force_a,SEXP force_b,SEXP force_c,SEXP force_d,SEXP s_swig_copy)26507 R_swig_OBForceField_VectorOOPDerivative__SWIG_0 ( SEXP pos_a, SEXP pos_b, SEXP pos_c, SEXP pos_d, SEXP force_a, SEXP force_b, SEXP force_c, SEXP force_d, SEXP s_swig_copy)
26508 { double result; double *arg1 = (double *) 0 ; double *arg2 = (double *) 0 ; double *arg3 = (double *) 0 ;
26509   double *arg4 = (double *) 0 ; double *arg5 = (double *) 0 ; double *arg6 = (double *) 0 ; double *arg7 = (double *) 0 ;
26510   double *arg8 = (double *) 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; { {
26511       int _rswigi; int _rswiglen = LENGTH(pos_a); arg1 = static_cast< double * >(calloc(sizeof(double), _rswiglen));
26512       for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg1[_rswigi] = REAL(pos_a)[_rswigi]; }  }  }  { { int _rswigi;
26513       int _rswiglen = LENGTH(pos_b); arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen));
26514       for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg2[_rswigi] = REAL(pos_b)[_rswigi]; }  }  }  { { int _rswigi;
26515       int _rswiglen = LENGTH(pos_c); arg3 = static_cast< double * >(calloc(sizeof(double), _rswiglen));
26516       for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg3[_rswigi] = REAL(pos_c)[_rswigi]; }  }  }  { { int _rswigi;
26517       int _rswiglen = LENGTH(pos_d); arg4 = static_cast< double * >(calloc(sizeof(double), _rswiglen));
26518       for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg4[_rswigi] = REAL(pos_d)[_rswigi]; }  }  }  { { int _rswigi;
26519       int _rswiglen = LENGTH(force_a); arg5 = static_cast< double * >(calloc(sizeof(double), _rswiglen));
26520       for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg5[_rswigi] = REAL(force_a)[_rswigi]; }  }  }  { { int _rswigi;
26521       int _rswiglen = LENGTH(force_b); arg6 = static_cast< double * >(calloc(sizeof(double), _rswiglen));
26522       for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg6[_rswigi] = REAL(force_b)[_rswigi]; }  }  }  { { int _rswigi;
26523       int _rswiglen = LENGTH(force_c); arg7 = static_cast< double * >(calloc(sizeof(double), _rswiglen));
26524       for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg7[_rswigi] = REAL(force_c)[_rswigi]; }  }  }  { { int _rswigi;
26525       int _rswiglen = LENGTH(force_d); arg8 = static_cast< double * >(calloc(sizeof(double), _rswiglen));
26526       for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg8[_rswigi] = REAL(force_d)[_rswigi]; }  }  }
26527   result = (double)OpenBabel::OBForceField::VectorOOPDerivative(arg1,arg2,arg3,arg4,arg5,arg6,arg7,arg8);
26528   r_ans = SWIG_From_double(static_cast< double >(result)); free(arg1); free(arg2); free(arg3); free(arg4); free(arg5);
26529   free(arg6); free(arg7); free(arg8); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_VectorOOPDerivative__SWIG_1(SEXP a,SEXP b,SEXP c,SEXP d,SEXP s_swig_copy)26530 SWIGEXPORT SEXP R_swig_OBForceField_VectorOOPDerivative__SWIG_1 ( SEXP a, SEXP b, SEXP c, SEXP d, SEXP s_swig_copy) {
26531   double result; OpenBabel::vector3 *arg1 = 0 ; OpenBabel::vector3 *arg2 = 0 ; OpenBabel::vector3 *arg3 = 0 ;
26532   OpenBabel::vector3 *arg4 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ;
26533   int res3 = 0 ; void *argp4 = 0 ; int res4 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
26534   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(a, &argp1, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res1)) {
26535     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_VectorOOPDerivative" "', argument " "1"" of type '" "OpenBabel::vector3 &""'");  }
26536    if (!argp1) {
26537     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBForceField_VectorOOPDerivative" "', argument " "1"" of type '" "OpenBabel::vector3 &""'"); }
26538    arg1 = reinterpret_cast< OpenBabel::vector3 * >(argp1);
26539   res2 = SWIG_R_ConvertPtr(b, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
26540     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBForceField_VectorOOPDerivative" "', argument " "2"" of type '" "OpenBabel::vector3 &""'");  }
26541    if (!argp2) {
26542     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBForceField_VectorOOPDerivative" "', argument " "2"" of type '" "OpenBabel::vector3 &""'"); }
26543    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2);
26544   res3 = SWIG_R_ConvertPtr(c, &argp3, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res3)) {
26545     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBForceField_VectorOOPDerivative" "', argument " "3"" of type '" "OpenBabel::vector3 &""'");  }
26546    if (!argp3) {
26547     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBForceField_VectorOOPDerivative" "', argument " "3"" of type '" "OpenBabel::vector3 &""'"); }
26548    arg3 = reinterpret_cast< OpenBabel::vector3 * >(argp3);
26549   res4 = SWIG_R_ConvertPtr(d, &argp4, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res4)) {
26550     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "OBForceField_VectorOOPDerivative" "', argument " "4"" of type '" "OpenBabel::vector3 &""'");  }
26551    if (!argp4) {
26552     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBForceField_VectorOOPDerivative" "', argument " "4"" of type '" "OpenBabel::vector3 &""'"); }
26553    arg4 = reinterpret_cast< OpenBabel::vector3 * >(argp4);
26554   result = (double)OpenBabel::OBForceField::VectorOOPDerivative(*arg1,*arg2,*arg3,*arg4);
26555   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
26556   return r_ans; }
26557 SWIGEXPORT SEXP
R_swig_OBForceField_VectorTorsionDerivative__SWIG_0(SEXP pos_a,SEXP pos_b,SEXP pos_c,SEXP pos_d,SEXP force_a,SEXP force_b,SEXP force_c,SEXP force_d,SEXP s_swig_copy)26558 R_swig_OBForceField_VectorTorsionDerivative__SWIG_0 ( SEXP pos_a, SEXP pos_b, SEXP pos_c, SEXP pos_d, SEXP force_a, SEXP force_b, SEXP force_c, SEXP force_d, SEXP s_swig_copy)
26559 { double result; double *arg1 = (double *) 0 ; double *arg2 = (double *) 0 ; double *arg3 = (double *) 0 ;
26560   double *arg4 = (double *) 0 ; double *arg5 = (double *) 0 ; double *arg6 = (double *) 0 ; double *arg7 = (double *) 0 ;
26561   double *arg8 = (double *) 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; { {
26562       int _rswigi; int _rswiglen = LENGTH(pos_a); arg1 = static_cast< double * >(calloc(sizeof(double), _rswiglen));
26563       for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg1[_rswigi] = REAL(pos_a)[_rswigi]; }  }  }  { { int _rswigi;
26564       int _rswiglen = LENGTH(pos_b); arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen));
26565       for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg2[_rswigi] = REAL(pos_b)[_rswigi]; }  }  }  { { int _rswigi;
26566       int _rswiglen = LENGTH(pos_c); arg3 = static_cast< double * >(calloc(sizeof(double), _rswiglen));
26567       for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg3[_rswigi] = REAL(pos_c)[_rswigi]; }  }  }  { { int _rswigi;
26568       int _rswiglen = LENGTH(pos_d); arg4 = static_cast< double * >(calloc(sizeof(double), _rswiglen));
26569       for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg4[_rswigi] = REAL(pos_d)[_rswigi]; }  }  }  { { int _rswigi;
26570       int _rswiglen = LENGTH(force_a); arg5 = static_cast< double * >(calloc(sizeof(double), _rswiglen));
26571       for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg5[_rswigi] = REAL(force_a)[_rswigi]; }  }  }  { { int _rswigi;
26572       int _rswiglen = LENGTH(force_b); arg6 = static_cast< double * >(calloc(sizeof(double), _rswiglen));
26573       for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg6[_rswigi] = REAL(force_b)[_rswigi]; }  }  }  { { int _rswigi;
26574       int _rswiglen = LENGTH(force_c); arg7 = static_cast< double * >(calloc(sizeof(double), _rswiglen));
26575       for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg7[_rswigi] = REAL(force_c)[_rswigi]; }  }  }  { { int _rswigi;
26576       int _rswiglen = LENGTH(force_d); arg8 = static_cast< double * >(calloc(sizeof(double), _rswiglen));
26577       for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg8[_rswigi] = REAL(force_d)[_rswigi]; }  }  }
26578   result = (double)OpenBabel::OBForceField::VectorTorsionDerivative(arg1,arg2,arg3,arg4,arg5,arg6,arg7,arg8);
26579   r_ans = SWIG_From_double(static_cast< double >(result)); free(arg1); free(arg2); free(arg3); free(arg4); free(arg5);
26580   free(arg6); free(arg7); free(arg8); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_VectorTorsionDerivative__SWIG_1(SEXP a,SEXP b,SEXP c,SEXP d,SEXP s_swig_copy)26581 SWIGEXPORT SEXP R_swig_OBForceField_VectorTorsionDerivative__SWIG_1 ( SEXP a, SEXP b, SEXP c, SEXP d, SEXP s_swig_copy) {
26582   double result; OpenBabel::vector3 *arg1 = 0 ; OpenBabel::vector3 *arg2 = 0 ; OpenBabel::vector3 *arg3 = 0 ;
26583   OpenBabel::vector3 *arg4 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; void *argp3 = 0 ;
26584   int res3 = 0 ; void *argp4 = 0 ; int res4 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
26585   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(a, &argp1, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res1)) {
26586     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBForceField_VectorTorsionDerivative" "', argument " "1"" of type '" "OpenBabel::vector3 &""'");  }
26587    if (!argp1) {
26588     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBForceField_VectorTorsionDerivative" "', argument " "1"" of type '" "OpenBabel::vector3 &""'"); }
26589    arg1 = reinterpret_cast< OpenBabel::vector3 * >(argp1);
26590   res2 = SWIG_R_ConvertPtr(b, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
26591     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBForceField_VectorTorsionDerivative" "', argument " "2"" of type '" "OpenBabel::vector3 &""'");  }
26592    if (!argp2) {
26593     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBForceField_VectorTorsionDerivative" "', argument " "2"" of type '" "OpenBabel::vector3 &""'"); }
26594    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2);
26595   res3 = SWIG_R_ConvertPtr(c, &argp3, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res3)) {
26596     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBForceField_VectorTorsionDerivative" "', argument " "3"" of type '" "OpenBabel::vector3 &""'");  }
26597    if (!argp3) {
26598     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBForceField_VectorTorsionDerivative" "', argument " "3"" of type '" "OpenBabel::vector3 &""'"); }
26599    arg3 = reinterpret_cast< OpenBabel::vector3 * >(argp3);
26600   res4 = SWIG_R_ConvertPtr(d, &argp4, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res4)) {
26601     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "OBForceField_VectorTorsionDerivative" "', argument " "4"" of type '" "OpenBabel::vector3 &""'");  }
26602    if (!argp4) {
26603     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBForceField_VectorTorsionDerivative" "', argument " "4"" of type '" "OpenBabel::vector3 &""'"); }
26604    arg4 = reinterpret_cast< OpenBabel::vector3 * >(argp4);
26605   result = (double)OpenBabel::OBForceField::VectorTorsionDerivative(*arg1,*arg2,*arg3,*arg4);
26606   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
26607   return r_ans; }
R_swig_OBForceField_VectorSubtract(SEXP i,SEXP j,SEXP result)26608 SWIGEXPORT SEXP R_swig_OBForceField_VectorSubtract ( SEXP i, SEXP j, SEXP result) { double *arg1 = (double *) 0 ;
26609   double *arg2 = (double *) 0 ; double *arg3 = (double *) 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
26610   VMAXTYPE r_vmax = vmaxget() ; { { int _rswigi; int _rswiglen = LENGTH(i);
26611       arg1 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
26612         arg1[_rswigi] = REAL(i)[_rswigi]; }  }  }  { { int _rswigi; int _rswiglen = LENGTH(j);
26613       arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
26614         arg2[_rswigi] = REAL(j)[_rswigi]; }  }  }  { { int _rswigi; int _rswiglen = LENGTH(result);
26615       arg3 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
26616         arg3[_rswigi] = REAL(result)[_rswigi]; }  }  }  OpenBabel::OBForceField::VectorSubtract(arg1,arg2,arg3);
26617   r_ans = R_NilValue; free(arg1); free(arg2); free(arg3); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
26618   return r_ans; }
R_swig_OBForceField_VectorAdd(SEXP i,SEXP j,SEXP result)26619 SWIGEXPORT SEXP R_swig_OBForceField_VectorAdd ( SEXP i, SEXP j, SEXP result) { double *arg1 = (double *) 0 ;
26620   double *arg2 = (double *) 0 ; double *arg3 = (double *) 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
26621   VMAXTYPE r_vmax = vmaxget() ; { { int _rswigi; int _rswiglen = LENGTH(i);
26622       arg1 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
26623         arg1[_rswigi] = REAL(i)[_rswigi]; }  }  }  { { int _rswigi; int _rswiglen = LENGTH(j);
26624       arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
26625         arg2[_rswigi] = REAL(j)[_rswigi]; }  }  }  { { int _rswigi; int _rswiglen = LENGTH(result);
26626       arg3 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
26627         arg3[_rswigi] = REAL(result)[_rswigi]; }  }  }  OpenBabel::OBForceField::VectorAdd(arg1,arg2,arg3); r_ans = R_NilValue;
26628   free(arg1); free(arg2); free(arg3); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_VectorDivide(SEXP i,SEXP n,SEXP result)26629 SWIGEXPORT SEXP R_swig_OBForceField_VectorDivide ( SEXP i, SEXP n, SEXP result) { double *arg1 = (double *) 0 ; double arg2 ;
26630   double *arg3 = (double *) 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; { {
26631       int _rswigi; int _rswiglen = LENGTH(i); arg1 = static_cast< double * >(calloc(sizeof(double), _rswiglen));
26632       for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg1[_rswigi] = REAL(i)[_rswigi]; }  }  }
26633   arg2 = static_cast< double >(REAL(n)[0]); { { int _rswigi; int _rswiglen = LENGTH(result);
26634       arg3 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
26635         arg3[_rswigi] = REAL(result)[_rswigi]; }  }  }  OpenBabel::OBForceField::VectorDivide(arg1,arg2,arg3);
26636   r_ans = R_NilValue; free(arg1); free(arg3); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_VectorMultiply(SEXP i,SEXP n,SEXP result)26637 SWIGEXPORT SEXP R_swig_OBForceField_VectorMultiply ( SEXP i, SEXP n, SEXP result) { double *arg1 = (double *) 0 ; double arg2 ;
26638   double *arg3 = (double *) 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; { {
26639       int _rswigi; int _rswiglen = LENGTH(i); arg1 = static_cast< double * >(calloc(sizeof(double), _rswiglen));
26640       for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg1[_rswigi] = REAL(i)[_rswigi]; }  }  }
26641   arg2 = static_cast< double >(REAL(n)[0]); { { int _rswigi; int _rswiglen = LENGTH(result);
26642       arg3 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
26643         arg3[_rswigi] = REAL(result)[_rswigi]; }  }  }  OpenBabel::OBForceField::VectorMultiply(arg1,arg2,arg3);
26644   r_ans = R_NilValue; free(arg1); free(arg3); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_VectorSelfMultiply(SEXP i,SEXP n)26645 SWIGEXPORT SEXP R_swig_OBForceField_VectorSelfMultiply ( SEXP i, SEXP n) { double *arg1 = (double *) 0 ; double arg2 ;
26646   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; { { int _rswigi;
26647       int _rswiglen = LENGTH(i); arg1 = static_cast< double * >(calloc(sizeof(double), _rswiglen));
26648       for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg1[_rswigi] = REAL(i)[_rswigi]; }  }  }
26649   arg2 = static_cast< double >(REAL(n)[0]); OpenBabel::OBForceField::VectorSelfMultiply(arg1,arg2); r_ans = R_NilValue;
26650   free(arg1); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_VectorNormalize(SEXP i)26651 SWIGEXPORT SEXP R_swig_OBForceField_VectorNormalize ( SEXP i) { double *arg1 = (double *) 0 ; unsigned int r_nprotect = 0;
26652   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; { { int _rswigi; int _rswiglen = LENGTH(i);
26653       arg1 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
26654         arg1[_rswigi] = REAL(i)[_rswigi]; }  }  }  OpenBabel::OBForceField::VectorNormalize(arg1); r_ans = R_NilValue;
26655   free(arg1); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_VectorCopy(SEXP from,SEXP to)26656 SWIGEXPORT SEXP R_swig_OBForceField_VectorCopy ( SEXP from, SEXP to) { double *arg1 = (double *) 0 ;
26657   double *arg2 = (double *) 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; { {
26658       int _rswigi; int _rswiglen = LENGTH(from); arg1 = static_cast< double * >(calloc(sizeof(double), _rswiglen));
26659       for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg1[_rswigi] = REAL(from)[_rswigi]; }  }  }  { { int _rswigi;
26660       int _rswiglen = LENGTH(to); arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen));
26661       for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg2[_rswigi] = REAL(to)[_rswigi]; }  }  }
26662   OpenBabel::OBForceField::VectorCopy(arg1,arg2); r_ans = R_NilValue; free(arg1); free(arg2); vmaxset(r_vmax);
26663   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_VectorLength(SEXP i,SEXP s_swig_copy)26664 SWIGEXPORT SEXP R_swig_OBForceField_VectorLength ( SEXP i, SEXP s_swig_copy) { double result; double *arg1 = (double *) 0 ;
26665   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; { { int _rswigi;
26666       int _rswiglen = LENGTH(i); arg1 = static_cast< double * >(calloc(sizeof(double), _rswiglen));
26667       for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg1[_rswigi] = REAL(i)[_rswigi]; }  }  }
26668   result = (double)OpenBabel::OBForceField::VectorLength(arg1); r_ans = SWIG_From_double(static_cast< double >(result));
26669   free(arg1); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_VectorDistance(SEXP pos_i,SEXP pos_j,SEXP s_swig_copy)26670 SWIGEXPORT SEXP R_swig_OBForceField_VectorDistance ( SEXP pos_i, SEXP pos_j, SEXP s_swig_copy) { double result;
26671   double *arg1 = (double *) 0 ; double *arg2 = (double *) 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
26672   VMAXTYPE r_vmax = vmaxget() ; { { int _rswigi; int _rswiglen = LENGTH(pos_i);
26673       arg1 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
26674         arg1[_rswigi] = REAL(pos_i)[_rswigi]; }  }  }  { { int _rswigi; int _rswiglen = LENGTH(pos_j);
26675       arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
26676         arg2[_rswigi] = REAL(pos_j)[_rswigi]; }  }  }  result = (double)OpenBabel::OBForceField::VectorDistance(arg1,arg2);
26677   r_ans = SWIG_From_double(static_cast< double >(result)); free(arg1); free(arg2); vmaxset(r_vmax);
26678   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_VectorAngle(SEXP i,SEXP j,SEXP k,SEXP s_swig_copy)26679 SWIGEXPORT SEXP R_swig_OBForceField_VectorAngle ( SEXP i, SEXP j, SEXP k, SEXP s_swig_copy) { double result;
26680   double *arg1 = (double *) 0 ; double *arg2 = (double *) 0 ; double *arg3 = (double *) 0 ; unsigned int r_nprotect = 0;
26681   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; { { int _rswigi; int _rswiglen = LENGTH(i);
26682       arg1 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
26683         arg1[_rswigi] = REAL(i)[_rswigi]; }  }  }  { { int _rswigi; int _rswiglen = LENGTH(j);
26684       arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
26685         arg2[_rswigi] = REAL(j)[_rswigi]; }  }  }  { { int _rswigi; int _rswiglen = LENGTH(k);
26686       arg3 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
26687         arg3[_rswigi] = REAL(k)[_rswigi]; }  }  }  result = (double)OpenBabel::OBForceField::VectorAngle(arg1,arg2,arg3);
26688   r_ans = SWIG_From_double(static_cast< double >(result)); free(arg1); free(arg2); free(arg3); vmaxset(r_vmax);
26689   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_VectorTorsion(SEXP i,SEXP j,SEXP k,SEXP l,SEXP s_swig_copy)26690 SWIGEXPORT SEXP R_swig_OBForceField_VectorTorsion ( SEXP i, SEXP j, SEXP k, SEXP l, SEXP s_swig_copy) { double result;
26691   double *arg1 = (double *) 0 ; double *arg2 = (double *) 0 ; double *arg3 = (double *) 0 ; double *arg4 = (double *) 0 ;
26692   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; { { int _rswigi;
26693       int _rswiglen = LENGTH(i); arg1 = static_cast< double * >(calloc(sizeof(double), _rswiglen));
26694       for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg1[_rswigi] = REAL(i)[_rswigi]; }  }  }  { { int _rswigi;
26695       int _rswiglen = LENGTH(j); arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen));
26696       for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg2[_rswigi] = REAL(j)[_rswigi]; }  }  }  { { int _rswigi;
26697       int _rswiglen = LENGTH(k); arg3 = static_cast< double * >(calloc(sizeof(double), _rswiglen));
26698       for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg3[_rswigi] = REAL(k)[_rswigi]; }  }  }  { { int _rswigi;
26699       int _rswiglen = LENGTH(l); arg4 = static_cast< double * >(calloc(sizeof(double), _rswiglen));
26700       for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg4[_rswigi] = REAL(l)[_rswigi]; }  }  }
26701   result = (double)OpenBabel::OBForceField::VectorTorsion(arg1,arg2,arg3,arg4);
26702   r_ans = SWIG_From_double(static_cast< double >(result)); free(arg1); free(arg2); free(arg3); free(arg4); vmaxset(r_vmax);
26703   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_VectorOOP(SEXP i,SEXP j,SEXP k,SEXP l,SEXP s_swig_copy)26704 SWIGEXPORT SEXP R_swig_OBForceField_VectorOOP ( SEXP i, SEXP j, SEXP k, SEXP l, SEXP s_swig_copy) { double result;
26705   double *arg1 = (double *) 0 ; double *arg2 = (double *) 0 ; double *arg3 = (double *) 0 ; double *arg4 = (double *) 0 ;
26706   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; { { int _rswigi;
26707       int _rswiglen = LENGTH(i); arg1 = static_cast< double * >(calloc(sizeof(double), _rswiglen));
26708       for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg1[_rswigi] = REAL(i)[_rswigi]; }  }  }  { { int _rswigi;
26709       int _rswiglen = LENGTH(j); arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen));
26710       for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg2[_rswigi] = REAL(j)[_rswigi]; }  }  }  { { int _rswigi;
26711       int _rswiglen = LENGTH(k); arg3 = static_cast< double * >(calloc(sizeof(double), _rswiglen));
26712       for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg3[_rswigi] = REAL(k)[_rswigi]; }  }  }  { { int _rswigi;
26713       int _rswiglen = LENGTH(l); arg4 = static_cast< double * >(calloc(sizeof(double), _rswiglen));
26714       for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg4[_rswigi] = REAL(l)[_rswigi]; }  }  }
26715   result = (double)OpenBabel::OBForceField::VectorOOP(arg1,arg2,arg3,arg4);
26716   r_ans = SWIG_From_double(static_cast< double >(result)); free(arg1); free(arg2); free(arg3); free(arg4); vmaxset(r_vmax);
26717   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_VectorClear(SEXP i)26718 SWIGEXPORT SEXP R_swig_OBForceField_VectorClear ( SEXP i) { double *arg1 = (double *) 0 ; unsigned int r_nprotect = 0;
26719   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; { { int _rswigi; int _rswiglen = LENGTH(i);
26720       arg1 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
26721         arg1[_rswigi] = REAL(i)[_rswigi]; }  }  }  OpenBabel::OBForceField::VectorClear(arg1); r_ans = R_NilValue; free(arg1);
26722   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_VectorDot(SEXP i,SEXP j,SEXP s_swig_copy)26723 SWIGEXPORT SEXP R_swig_OBForceField_VectorDot ( SEXP i, SEXP j, SEXP s_swig_copy) { double result; double *arg1 = (double *) 0 ;
26724   double *arg2 = (double *) 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; { {
26725       int _rswigi; int _rswiglen = LENGTH(i); arg1 = static_cast< double * >(calloc(sizeof(double), _rswiglen));
26726       for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg1[_rswigi] = REAL(i)[_rswigi]; }  }  }  { { int _rswigi;
26727       int _rswiglen = LENGTH(j); arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen));
26728       for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) { arg2[_rswigi] = REAL(j)[_rswigi]; }  }  }
26729   result = (double)OpenBabel::OBForceField::VectorDot(arg1,arg2); r_ans = SWIG_From_double(static_cast< double >(result));
26730   free(arg1); free(arg2); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBForceField_VectorCross(SEXP i,SEXP j,SEXP result)26731 SWIGEXPORT SEXP R_swig_OBForceField_VectorCross ( SEXP i, SEXP j, SEXP result) { double *arg1 = (double *) 0 ;
26732   double *arg2 = (double *) 0 ; double *arg3 = (double *) 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
26733   VMAXTYPE r_vmax = vmaxget() ; { { int _rswigi; int _rswiglen = LENGTH(i);
26734       arg1 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
26735         arg1[_rswigi] = REAL(i)[_rswigi]; }  }  }  { { int _rswigi; int _rswiglen = LENGTH(j);
26736       arg2 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
26737         arg2[_rswigi] = REAL(j)[_rswigi]; }  }  }  { { int _rswigi; int _rswiglen = LENGTH(result);
26738       arg3 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
26739         arg3[_rswigi] = REAL(result)[_rswigi]; }  }  }  OpenBabel::OBForceField::VectorCross(arg1,arg2,arg3);
26740   r_ans = R_NilValue; free(arg1); free(arg2); free(arg3); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
26741   return r_ans; }
R_swig_OBForceField_PrintVector(SEXP i)26742 SWIGEXPORT SEXP R_swig_OBForceField_PrintVector ( SEXP i) { double *arg1 = (double *) 0 ; unsigned int r_nprotect = 0;
26743   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; { { int _rswigi; int _rswiglen = LENGTH(i);
26744       arg1 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
26745         arg1[_rswigi] = REAL(i)[_rswigi]; }  }  }  OpenBabel::OBForceField::PrintVector(arg1); r_ans = R_NilValue; free(arg1);
26746   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConformerFilter_IsGood(SEXP self,SEXP mol,SEXP key,SEXP coords,SEXP s_swig_copy)26747 SWIGEXPORT SEXP R_swig_OBConformerFilter_IsGood ( SEXP self, SEXP mol, SEXP key, SEXP coords, SEXP s_swig_copy) { bool result;
26748   OpenBabel::OBConformerFilter *arg1 = (OpenBabel::OBConformerFilter *) 0 ; OpenBabel::OBMol *arg2 = 0 ;
26749   OpenBabel::RotorKey *arg3 = 0 ; double *arg4 = (double *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ;
26750   int res3 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26751   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerFilter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
26752     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerFilter_IsGood" "', argument " "1"" of type '" "OpenBabel::OBConformerFilter *""'");  }
26753    arg1 = reinterpret_cast< OpenBabel::OBConformerFilter * >(argp1);
26754   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
26755     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConformerFilter_IsGood" "', argument " "2"" of type '" "OpenBabel::OBMol const &""'");  }
26756    if (!argp2) {
26757     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBConformerFilter_IsGood" "', argument " "2"" of type '" "OpenBabel::OBMol const &""'"); }
26758    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); {
26759     std::vector<int,std::allocator< int > > *ptr = (std::vector<int,std::allocator< int > > *)0; res3 = swig::asptr(key, &ptr);
26760     if (!SWIG_IsOK(res3)) {
26761       SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBConformerFilter_IsGood" "', argument " "3"" of type '" "OpenBabel::RotorKey const &""'"); }
26762      if (!ptr) {
26763       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBConformerFilter_IsGood" "', argument " "3"" of type '" "OpenBabel::RotorKey const &""'"); }
26764      arg3 = ptr; }  { { int _rswigi; int _rswiglen = LENGTH(coords);
26765       arg4 = static_cast< double * >(calloc(sizeof(double), _rswiglen)); for (_rswigi=0; _rswigi<_rswiglen; _rswigi++) {
26766         arg4[_rswigi] = REAL(coords)[_rswigi]; }  }  }
26767   result = (bool)(arg1)->IsGood((OpenBabel::OBMol const &)*arg2,(OpenBabel::RotorKey const &)*arg3,arg4);
26768   r_ans = Rf_ScalarLogical(result); if (SWIG_IsNewObj(res3)) delete arg3; free(arg4); vmaxset(r_vmax);
26769   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBConformerFilter(SEXP self)26770 SWIGEXPORT SEXP R_swig_delete_OBConformerFilter ( SEXP self) {
26771   OpenBabel::OBConformerFilter *arg1 = (OpenBabel::OBConformerFilter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
26772   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26773   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerFilter, SWIG_POINTER_DISOWN |  0 );
26774   if (!SWIG_IsOK(res1)) {
26775     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBConformerFilter" "', argument " "1"" of type '" "OpenBabel::OBConformerFilter *""'");  }
26776    arg1 = reinterpret_cast< OpenBabel::OBConformerFilter * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
26777   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_new_OBConformerFilters(SEXP filters)26778 SWIGEXPORT SEXP R_swig_new_OBConformerFilters ( SEXP filters) { OpenBabel::OBConformerFilters *result = 0 ;
26779   std::vector< OpenBabel::OBConformerFilter *,std::allocator< OpenBabel::OBConformerFilter * > > *arg1 = 0 ; void *argp1 ;
26780   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26781   res1 = SWIG_R_ConvertPtr(filters, &argp1, SWIGTYPE_p_std__vectorT_OpenBabel__OBConformerFilter_p_std__allocatorT_OpenBabel__OBConformerFilter_p_t_t,  0 );
26782   if (!SWIG_IsOK(res1)) {
26783     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBConformerFilters" "', argument " "1"" of type '" "std::vector< OpenBabel::OBConformerFilter *,std::allocator< OpenBabel::OBConformerFilter * > > const &""'");  }
26784    if (!argp1) {
26785     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBConformerFilters" "', argument " "1"" of type '" "std::vector< OpenBabel::OBConformerFilter *,std::allocator< OpenBabel::OBConformerFilter * > > const &""'"); }
26786 
26787   arg1 = reinterpret_cast< std::vector< OpenBabel::OBConformerFilter *,std::allocator< OpenBabel::OBConformerFilter * > > * >(argp1);
26788   result = (OpenBabel::OBConformerFilters *)new OpenBabel::OBConformerFilters((std::vector< OpenBabel::OBConformerFilter *,std::allocator< OpenBabel::OBConformerFilter * > > const &)*arg1);
26789   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBConformerFilters, R_SWIG_OWNER |  0 );
26790   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBConformerFilters(SEXP self)26791 SWIGEXPORT SEXP R_swig_delete_OBConformerFilters ( SEXP self) {
26792   OpenBabel::OBConformerFilters *arg1 = (OpenBabel::OBConformerFilters *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
26793   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26794   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerFilters, SWIG_POINTER_DISOWN |  0 );
26795   if (!SWIG_IsOK(res1)) {
26796     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBConformerFilters" "', argument " "1"" of type '" "OpenBabel::OBConformerFilters *""'");  }
26797    arg1 = reinterpret_cast< OpenBabel::OBConformerFilters * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
26798   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_new_OBStericConformerFilter__SWIG_0()26799 SWIGEXPORT SEXP R_swig_new_OBStericConformerFilter__SWIG_0 ( ) { OpenBabel::OBStericConformerFilter *result = 0 ;
26800   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26801   result = (OpenBabel::OBStericConformerFilter *)new OpenBabel::OBStericConformerFilter();
26802   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBStericConformerFilter, R_SWIG_OWNER |  0 );
26803   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBStericConformerFilter__SWIG_1(SEXP cutoff,SEXP vdw_factor,SEXP check_hydrogens)26804 SWIGEXPORT SEXP R_swig_new_OBStericConformerFilter__SWIG_1 ( SEXP cutoff, SEXP vdw_factor, SEXP check_hydrogens) {
26805   OpenBabel::OBStericConformerFilter *result = 0 ; double arg1 ; double arg2 ; bool arg3 ; unsigned int r_nprotect = 0;
26806   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; arg1 = static_cast< double >(REAL(cutoff)[0]);
26807   arg2 = static_cast< double >(REAL(vdw_factor)[0]); arg3 = LOGICAL(check_hydrogens)[0] ? true : false;
26808   result = (OpenBabel::OBStericConformerFilter *)new OpenBabel::OBStericConformerFilter(arg1,arg2,arg3);
26809   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBStericConformerFilter, R_SWIG_OWNER |  0 );
26810   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBStericConformerFilter__SWIG_2(SEXP cutoff,SEXP vdw_factor)26811 SWIGEXPORT SEXP R_swig_new_OBStericConformerFilter__SWIG_2 ( SEXP cutoff, SEXP vdw_factor) {
26812   OpenBabel::OBStericConformerFilter *result = 0 ; double arg1 ; double arg2 ; unsigned int r_nprotect = 0;
26813   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; arg1 = static_cast< double >(REAL(cutoff)[0]);
26814   arg2 = static_cast< double >(REAL(vdw_factor)[0]);
26815   result = (OpenBabel::OBStericConformerFilter *)new OpenBabel::OBStericConformerFilter(arg1,arg2);
26816   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBStericConformerFilter, R_SWIG_OWNER |  0 );
26817   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBStericConformerFilter__SWIG_3(SEXP cutoff)26818 SWIGEXPORT SEXP R_swig_new_OBStericConformerFilter__SWIG_3 ( SEXP cutoff) { OpenBabel::OBStericConformerFilter *result = 0 ;
26819   double arg1 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26820   arg1 = static_cast< double >(REAL(cutoff)[0]);
26821   result = (OpenBabel::OBStericConformerFilter *)new OpenBabel::OBStericConformerFilter(arg1);
26822   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBStericConformerFilter, R_SWIG_OWNER |  0 );
26823   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBStericConformerFilter(SEXP self)26824 SWIGEXPORT SEXP R_swig_delete_OBStericConformerFilter ( SEXP self) {
26825   OpenBabel::OBStericConformerFilter *arg1 = (OpenBabel::OBStericConformerFilter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
26826   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26827   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBStericConformerFilter, SWIG_POINTER_DISOWN |  0 );
26828   if (!SWIG_IsOK(res1)) {
26829     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBStericConformerFilter" "', argument " "1"" of type '" "OpenBabel::OBStericConformerFilter *""'");  }
26830    arg1 = reinterpret_cast< OpenBabel::OBStericConformerFilter * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
26831   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBConformerScore_GetPreferred(SEXP self,SEXP s_swig_copy)26832 SWIGEXPORT SEXP R_swig_OBConformerScore_GetPreferred ( SEXP self, SEXP s_swig_copy) {
26833   OpenBabel::OBConformerScore::Preferred result; OpenBabel::OBConformerScore *arg1 = (OpenBabel::OBConformerScore *) 0 ;
26834   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26835   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerScore, 0 |  0 ); if (!SWIG_IsOK(res1)) {
26836     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerScore_GetPreferred" "', argument " "1"" of type '" "OpenBabel::OBConformerScore *""'");  }
26837    arg1 = reinterpret_cast< OpenBabel::OBConformerScore * >(argp1);
26838   result = (OpenBabel::OBConformerScore::Preferred)(arg1)->GetPreferred(); r_ans = SWIG_From_int(static_cast< int >(result));
26839   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConformerScore_GetConvergence(SEXP self,SEXP s_swig_copy)26840 SWIGEXPORT SEXP R_swig_OBConformerScore_GetConvergence ( SEXP self, SEXP s_swig_copy) {
26841   OpenBabel::OBConformerScore::Convergence result; OpenBabel::OBConformerScore *arg1 = (OpenBabel::OBConformerScore *) 0 ;
26842   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26843   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerScore, 0 |  0 ); if (!SWIG_IsOK(res1)) {
26844     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerScore_GetConvergence" "', argument " "1"" of type '" "OpenBabel::OBConformerScore *""'");  }
26845    arg1 = reinterpret_cast< OpenBabel::OBConformerScore * >(argp1);
26846   result = (OpenBabel::OBConformerScore::Convergence)(arg1)->GetConvergence();
26847   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConformerScore_Score(SEXP self,SEXP mol,SEXP index,SEXP keys,SEXP conformers,SEXP s_swig_copy)26848 SWIGEXPORT SEXP R_swig_OBConformerScore_Score ( SEXP self, SEXP mol, SEXP index, SEXP keys, SEXP conformers, SEXP s_swig_copy) {
26849   double result; OpenBabel::OBConformerScore *arg1 = (OpenBabel::OBConformerScore *) 0 ; OpenBabel::OBMol *arg2 = 0 ;
26850   unsigned int arg3 ; OpenBabel::RotorKeys *arg4 = 0 ; std::vector< double *,std::allocator< double * > > *arg5 = 0 ;
26851   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; int val3 ; int ecode3 = 0 ; int res4 = SWIG_OLDOBJ ;
26852   void *argp5 ; int res5 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26853   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerScore, 0 |  0 ); if (!SWIG_IsOK(res1)) {
26854     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerScore_Score" "', argument " "1"" of type '" "OpenBabel::OBConformerScore *""'");  }
26855    arg1 = reinterpret_cast< OpenBabel::OBConformerScore * >(argp1);
26856   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
26857     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConformerScore_Score" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
26858    if (!argp2) {
26859     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBConformerScore_Score" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
26860    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); ecode3 = SWIG_AsVal_int(index, &val3); if (!SWIG_IsOK(ecode3)) {
26861     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "OBConformerScore_Score" "', argument " "3"" of type '" "unsigned int""'"); }
26862     arg3 = static_cast< unsigned int >(val3); {
26863     std::vector<std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > *ptr = (std::vector<std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > *)0;
26864     res4 = swig::asptr(keys, &ptr); if (!SWIG_IsOK(res4)) {
26865       SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "OBConformerScore_Score" "', argument " "4"" of type '" "OpenBabel::RotorKeys const &""'"); }
26866      if (!ptr) {
26867       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBConformerScore_Score" "', argument " "4"" of type '" "OpenBabel::RotorKeys const &""'"); }
26868      arg4 = ptr; }
26869   res5 = SWIG_R_ConvertPtr(conformers, &argp5, SWIGTYPE_p_std__vectorT_double_p_std__allocatorT_double_p_t_t,  0 );
26870   if (!SWIG_IsOK(res5)) {
26871     SWIG_exception_fail(SWIG_ArgError(res5), "in method '" "OBConformerScore_Score" "', argument " "5"" of type '" "std::vector< double *,std::allocator< double * > > const &""'");  }
26872    if (!argp5) {
26873     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBConformerScore_Score" "', argument " "5"" of type '" "std::vector< double *,std::allocator< double * > > const &""'"); }
26874    arg5 = reinterpret_cast< std::vector< double *,std::allocator< double * > > * >(argp5);
26875   result = (double)(arg1)->Score(*arg2,arg3,(OpenBabel::RotorKeys const &)*arg4,(std::vector< double *,std::allocator< double * > > const &)*arg5);
26876   r_ans = SWIG_From_double(static_cast< double >(result)); if (SWIG_IsNewObj(res4)) delete arg4; vmaxset(r_vmax);
26877   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBConformerScore(SEXP self)26878 SWIGEXPORT SEXP R_swig_delete_OBConformerScore ( SEXP self) {
26879   OpenBabel::OBConformerScore *arg1 = (OpenBabel::OBConformerScore *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
26880   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26881   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerScore, SWIG_POINTER_DISOWN |  0 );
26882   if (!SWIG_IsOK(res1)) {
26883     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBConformerScore" "', argument " "1"" of type '" "OpenBabel::OBConformerScore *""'");  }
26884    arg1 = reinterpret_cast< OpenBabel::OBConformerScore * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
26885   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_new_OBRMSDConformerScore()26886 SWIGEXPORT SEXP R_swig_new_OBRMSDConformerScore ( ) { OpenBabel::OBRMSDConformerScore *result = 0 ; unsigned int r_nprotect = 0;
26887   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26888   result = (OpenBabel::OBRMSDConformerScore *)new OpenBabel::OBRMSDConformerScore();
26889   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBRMSDConformerScore, R_SWIG_OWNER |  0 );
26890   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBRMSDConformerScore(SEXP self)26891 SWIGEXPORT SEXP R_swig_delete_OBRMSDConformerScore ( SEXP self) {
26892   OpenBabel::OBRMSDConformerScore *arg1 = (OpenBabel::OBRMSDConformerScore *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
26893   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26894   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBRMSDConformerScore, SWIG_POINTER_DISOWN |  0 );
26895   if (!SWIG_IsOK(res1)) {
26896     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBRMSDConformerScore" "', argument " "1"" of type '" "OpenBabel::OBRMSDConformerScore *""'");  }
26897    arg1 = reinterpret_cast< OpenBabel::OBRMSDConformerScore * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
26898   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_new_OBEnergyConformerScore()26899 SWIGEXPORT SEXP R_swig_new_OBEnergyConformerScore ( ) { OpenBabel::OBEnergyConformerScore *result = 0 ;
26900   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26901   result = (OpenBabel::OBEnergyConformerScore *)new OpenBabel::OBEnergyConformerScore();
26902   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBEnergyConformerScore, R_SWIG_OWNER |  0 );
26903   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBEnergyConformerScore_GetNbEnergyCompute(SEXP self,SEXP s_swig_copy)26904 SWIGEXPORT SEXP R_swig_OBEnergyConformerScore_GetNbEnergyCompute ( SEXP self, SEXP s_swig_copy) { unsigned long result;
26905   OpenBabel::OBEnergyConformerScore *arg1 = (OpenBabel::OBEnergyConformerScore *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
26906   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26907   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBEnergyConformerScore, 0 |  0 ); if (!SWIG_IsOK(res1)) {
26908     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBEnergyConformerScore_GetNbEnergyCompute" "', argument " "1"" of type '" "OpenBabel::OBEnergyConformerScore *""'");  }
26909    arg1 = reinterpret_cast< OpenBabel::OBEnergyConformerScore * >(argp1); result = (unsigned long)(arg1)->GetNbEnergyCompute();
26910   r_ans = SWIG_From_long(static_cast< long >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBEnergyConformerScore_GetNbEnergyRequest(SEXP self,SEXP s_swig_copy)26911 SWIGEXPORT SEXP R_swig_OBEnergyConformerScore_GetNbEnergyRequest ( SEXP self, SEXP s_swig_copy) { unsigned long result;
26912   OpenBabel::OBEnergyConformerScore *arg1 = (OpenBabel::OBEnergyConformerScore *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
26913   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26914   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBEnergyConformerScore, 0 |  0 ); if (!SWIG_IsOK(res1)) {
26915     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBEnergyConformerScore_GetNbEnergyRequest" "', argument " "1"" of type '" "OpenBabel::OBEnergyConformerScore *""'");  }
26916    arg1 = reinterpret_cast< OpenBabel::OBEnergyConformerScore * >(argp1); result = (unsigned long)(arg1)->GetNbEnergyRequest();
26917   r_ans = SWIG_From_long(static_cast< long >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBEnergyConformerScore(SEXP self)26918 SWIGEXPORT SEXP R_swig_delete_OBEnergyConformerScore ( SEXP self) {
26919   OpenBabel::OBEnergyConformerScore *arg1 = (OpenBabel::OBEnergyConformerScore *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
26920   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26921   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBEnergyConformerScore, SWIG_POINTER_DISOWN |  0 );
26922   if (!SWIG_IsOK(res1)) {
26923     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBEnergyConformerScore" "', argument " "1"" of type '" "OpenBabel::OBEnergyConformerScore *""'");  }
26924    arg1 = reinterpret_cast< OpenBabel::OBEnergyConformerScore * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
26925   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_new_OBMinimizingEnergyConformerScore()26926 SWIGEXPORT SEXP R_swig_new_OBMinimizingEnergyConformerScore ( ) { OpenBabel::OBMinimizingEnergyConformerScore *result = 0 ;
26927   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26928   result = (OpenBabel::OBMinimizingEnergyConformerScore *)new OpenBabel::OBMinimizingEnergyConformerScore();
26929   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMinimizingEnergyConformerScore, R_SWIG_OWNER |  0 );
26930   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMinimizingEnergyConformerScore_GetNbEnergyCompute(SEXP self,SEXP s_swig_copy)26931 SWIGEXPORT SEXP R_swig_OBMinimizingEnergyConformerScore_GetNbEnergyCompute ( SEXP self, SEXP s_swig_copy) {
26932   unsigned long result; OpenBabel::OBMinimizingEnergyConformerScore *arg1 = (OpenBabel::OBMinimizingEnergyConformerScore *) 0 ;
26933   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26934   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMinimizingEnergyConformerScore, 0 |  0 );
26935   if (!SWIG_IsOK(res1)) {
26936     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMinimizingEnergyConformerScore_GetNbEnergyCompute" "', argument " "1"" of type '" "OpenBabel::OBMinimizingEnergyConformerScore *""'");  }
26937    arg1 = reinterpret_cast< OpenBabel::OBMinimizingEnergyConformerScore * >(argp1);
26938   result = (unsigned long)(arg1)->GetNbEnergyCompute(); r_ans = SWIG_From_long(static_cast< long >(result)); vmaxset(r_vmax);
26939   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMinimizingEnergyConformerScore_GetNbEnergyRequest(SEXP self,SEXP s_swig_copy)26940 SWIGEXPORT SEXP R_swig_OBMinimizingEnergyConformerScore_GetNbEnergyRequest ( SEXP self, SEXP s_swig_copy) {
26941   unsigned long result; OpenBabel::OBMinimizingEnergyConformerScore *arg1 = (OpenBabel::OBMinimizingEnergyConformerScore *) 0 ;
26942   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26943   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMinimizingEnergyConformerScore, 0 |  0 );
26944   if (!SWIG_IsOK(res1)) {
26945     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMinimizingEnergyConformerScore_GetNbEnergyRequest" "', argument " "1"" of type '" "OpenBabel::OBMinimizingEnergyConformerScore *""'");  }
26946    arg1 = reinterpret_cast< OpenBabel::OBMinimizingEnergyConformerScore * >(argp1);
26947   result = (unsigned long)(arg1)->GetNbEnergyRequest(); r_ans = SWIG_From_long(static_cast< long >(result)); vmaxset(r_vmax);
26948   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBMinimizingEnergyConformerScore(SEXP self)26949 SWIGEXPORT SEXP R_swig_delete_OBMinimizingEnergyConformerScore ( SEXP self) {
26950   OpenBabel::OBMinimizingEnergyConformerScore *arg1 = (OpenBabel::OBMinimizingEnergyConformerScore *) 0 ; void *argp1 = 0 ;
26951   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26952   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMinimizingEnergyConformerScore, SWIG_POINTER_DISOWN |  0 );
26953   if (!SWIG_IsOK(res1)) {
26954     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBMinimizingEnergyConformerScore" "', argument " "1"" of type '" "OpenBabel::OBMinimizingEnergyConformerScore *""'");  }
26955    arg1 = reinterpret_cast< OpenBabel::OBMinimizingEnergyConformerScore * >(argp1); delete arg1; r_ans = R_NilValue;
26956   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_new_OBMinimizingRMSDConformerScore()26957 SWIGEXPORT SEXP R_swig_new_OBMinimizingRMSDConformerScore ( ) { OpenBabel::OBMinimizingRMSDConformerScore *result = 0 ;
26958   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26959   result = (OpenBabel::OBMinimizingRMSDConformerScore *)new OpenBabel::OBMinimizingRMSDConformerScore();
26960   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMinimizingRMSDConformerScore, R_SWIG_OWNER |  0 );
26961   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBMinimizingRMSDConformerScore(SEXP self)26962 SWIGEXPORT SEXP R_swig_delete_OBMinimizingRMSDConformerScore ( SEXP self) {
26963   OpenBabel::OBMinimizingRMSDConformerScore *arg1 = (OpenBabel::OBMinimizingRMSDConformerScore *) 0 ; void *argp1 = 0 ;
26964   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26965   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMinimizingRMSDConformerScore, SWIG_POINTER_DISOWN |  0 );
26966   if (!SWIG_IsOK(res1)) {
26967     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBMinimizingRMSDConformerScore" "', argument " "1"" of type '" "OpenBabel::OBMinimizingRMSDConformerScore *""'");  }
26968    arg1 = reinterpret_cast< OpenBabel::OBMinimizingRMSDConformerScore * >(argp1); delete arg1; r_ans = R_NilValue;
26969   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_new_OBConformerSearch()26970 SWIGEXPORT SEXP R_swig_new_OBConformerSearch ( ) { OpenBabel::OBConformerSearch *result = 0 ; unsigned int r_nprotect = 0;
26971   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26972   result = (OpenBabel::OBConformerSearch *)new OpenBabel::OBConformerSearch();
26973   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBConformerSearch, R_SWIG_OWNER |  0 );
26974   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBConformerSearch(SEXP self)26975 SWIGEXPORT SEXP R_swig_delete_OBConformerSearch ( SEXP self) {
26976   OpenBabel::OBConformerSearch *arg1 = (OpenBabel::OBConformerSearch *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
26977   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26978   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerSearch, SWIG_POINTER_DISOWN |  0 );
26979   if (!SWIG_IsOK(res1)) {
26980     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBConformerSearch" "', argument " "1"" of type '" "OpenBabel::OBConformerSearch *""'");  }
26981    arg1 = reinterpret_cast< OpenBabel::OBConformerSearch * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
26982   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
26983 SWIGEXPORT SEXP
R_swig_OBConformerSearch_Setup__SWIG_0(SEXP self,SEXP mol,SEXP numConformers,SEXP numChildren,SEXP mutability,SEXP convergence,SEXP s_swig_copy)26984 R_swig_OBConformerSearch_Setup__SWIG_0 ( SEXP self, SEXP mol, SEXP numConformers, SEXP numChildren, SEXP mutability, SEXP convergence, SEXP s_swig_copy)
26985 { bool result; OpenBabel::OBConformerSearch *arg1 = (OpenBabel::OBConformerSearch *) 0 ; OpenBabel::OBMol *arg2 = 0 ; int arg3 ;
26986   int arg4 ; int arg5 ; int arg6 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0;
26987   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
26988   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerSearch, 0 |  0 ); if (!SWIG_IsOK(res1)) {
26989     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerSearch_Setup" "', argument " "1"" of type '" "OpenBabel::OBConformerSearch *""'");  }
26990    arg1 = reinterpret_cast< OpenBabel::OBConformerSearch * >(argp1);
26991   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
26992     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConformerSearch_Setup" "', argument " "2"" of type '" "OpenBabel::OBMol const &""'");  }
26993    if (!argp2) {
26994     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBConformerSearch_Setup" "', argument " "2"" of type '" "OpenBabel::OBMol const &""'"); }
26995    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); arg3 = static_cast< int >(INTEGER(numConformers)[0]);
26996   arg4 = static_cast< int >(INTEGER(numChildren)[0]); arg5 = static_cast< int >(INTEGER(mutability)[0]);
26997   arg6 = static_cast< int >(INTEGER(convergence)[0]);
26998   result = (bool)(arg1)->Setup((OpenBabel::OBMol const &)*arg2,arg3,arg4,arg5,arg6); r_ans = Rf_ScalarLogical(result);
26999   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
27000 SWIGEXPORT SEXP
R_swig_OBConformerSearch_Setup__SWIG_1(SEXP self,SEXP mol,SEXP numConformers,SEXP numChildren,SEXP mutability,SEXP s_swig_copy)27001 R_swig_OBConformerSearch_Setup__SWIG_1 ( SEXP self, SEXP mol, SEXP numConformers, SEXP numChildren, SEXP mutability, SEXP s_swig_copy)
27002 { bool result; OpenBabel::OBConformerSearch *arg1 = (OpenBabel::OBConformerSearch *) 0 ; OpenBabel::OBMol *arg2 = 0 ; int arg3 ;
27003   int arg4 ; int arg5 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0;
27004   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27005   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerSearch, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27006     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerSearch_Setup" "', argument " "1"" of type '" "OpenBabel::OBConformerSearch *""'");  }
27007    arg1 = reinterpret_cast< OpenBabel::OBConformerSearch * >(argp1);
27008   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
27009     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConformerSearch_Setup" "', argument " "2"" of type '" "OpenBabel::OBMol const &""'");  }
27010    if (!argp2) {
27011     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBConformerSearch_Setup" "', argument " "2"" of type '" "OpenBabel::OBMol const &""'"); }
27012    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); arg3 = static_cast< int >(INTEGER(numConformers)[0]);
27013   arg4 = static_cast< int >(INTEGER(numChildren)[0]); arg5 = static_cast< int >(INTEGER(mutability)[0]);
27014   result = (bool)(arg1)->Setup((OpenBabel::OBMol const &)*arg2,arg3,arg4,arg5); r_ans = Rf_ScalarLogical(result);
27015   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
27016 SWIGEXPORT SEXP
R_swig_OBConformerSearch_Setup__SWIG_2(SEXP self,SEXP mol,SEXP numConformers,SEXP numChildren,SEXP s_swig_copy)27017 R_swig_OBConformerSearch_Setup__SWIG_2 ( SEXP self, SEXP mol, SEXP numConformers, SEXP numChildren, SEXP s_swig_copy) {
27018   bool result; OpenBabel::OBConformerSearch *arg1 = (OpenBabel::OBConformerSearch *) 0 ; OpenBabel::OBMol *arg2 = 0 ; int arg3 ;
27019   int arg4 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0;
27020   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27021   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerSearch, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27022     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerSearch_Setup" "', argument " "1"" of type '" "OpenBabel::OBConformerSearch *""'");  }
27023    arg1 = reinterpret_cast< OpenBabel::OBConformerSearch * >(argp1);
27024   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
27025     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConformerSearch_Setup" "', argument " "2"" of type '" "OpenBabel::OBMol const &""'");  }
27026    if (!argp2) {
27027     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBConformerSearch_Setup" "', argument " "2"" of type '" "OpenBabel::OBMol const &""'"); }
27028    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); arg3 = static_cast< int >(INTEGER(numConformers)[0]);
27029   arg4 = static_cast< int >(INTEGER(numChildren)[0]); result = (bool)(arg1)->Setup((OpenBabel::OBMol const &)*arg2,arg3,arg4);
27030   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConformerSearch_Setup__SWIG_3(SEXP self,SEXP mol,SEXP numConformers,SEXP s_swig_copy)27031 SWIGEXPORT SEXP R_swig_OBConformerSearch_Setup__SWIG_3 ( SEXP self, SEXP mol, SEXP numConformers, SEXP s_swig_copy) {
27032   bool result; OpenBabel::OBConformerSearch *arg1 = (OpenBabel::OBConformerSearch *) 0 ; OpenBabel::OBMol *arg2 = 0 ; int arg3 ;
27033   void *argp1 = 0 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
27034   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerSearch, 0 |  0 );
27035   if (!SWIG_IsOK(res1)) {
27036     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerSearch_Setup" "', argument " "1"" of type '" "OpenBabel::OBConformerSearch *""'");  }
27037    arg1 = reinterpret_cast< OpenBabel::OBConformerSearch * >(argp1);
27038   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
27039     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConformerSearch_Setup" "', argument " "2"" of type '" "OpenBabel::OBMol const &""'");  }
27040    if (!argp2) {
27041     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBConformerSearch_Setup" "', argument " "2"" of type '" "OpenBabel::OBMol const &""'"); }
27042    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); arg3 = static_cast< int >(INTEGER(numConformers)[0]);
27043   result = (bool)(arg1)->Setup((OpenBabel::OBMol const &)*arg2,arg3); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
27044   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConformerSearch_Setup__SWIG_4(SEXP self,SEXP mol,SEXP s_swig_copy)27045 SWIGEXPORT SEXP R_swig_OBConformerSearch_Setup__SWIG_4 ( SEXP self, SEXP mol, SEXP s_swig_copy) { bool result;
27046   OpenBabel::OBConformerSearch *arg1 = (OpenBabel::OBConformerSearch *) 0 ; OpenBabel::OBMol *arg2 = 0 ; void *argp1 = 0 ;
27047   int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
27048   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerSearch, 0 |  0 );
27049   if (!SWIG_IsOK(res1)) {
27050     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerSearch_Setup" "', argument " "1"" of type '" "OpenBabel::OBConformerSearch *""'");  }
27051    arg1 = reinterpret_cast< OpenBabel::OBConformerSearch * >(argp1);
27052   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
27053     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConformerSearch_Setup" "', argument " "2"" of type '" "OpenBabel::OBMol const &""'");  }
27054    if (!argp2) {
27055     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBConformerSearch_Setup" "', argument " "2"" of type '" "OpenBabel::OBMol const &""'"); }
27056    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); result = (bool)(arg1)->Setup((OpenBabel::OBMol const &)*arg2);
27057   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConformerSearch_SetNumConformers(SEXP self,SEXP numConformers)27058 SWIGEXPORT SEXP R_swig_OBConformerSearch_SetNumConformers ( SEXP self, SEXP numConformers) {
27059   OpenBabel::OBConformerSearch *arg1 = (OpenBabel::OBConformerSearch *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
27060   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27061   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerSearch, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27062     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerSearch_SetNumConformers" "', argument " "1"" of type '" "OpenBabel::OBConformerSearch *""'");  }
27063    arg1 = reinterpret_cast< OpenBabel::OBConformerSearch * >(argp1); arg2 = static_cast< int >(INTEGER(numConformers)[0]);
27064   (arg1)->SetNumConformers(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConformerSearch_SetNumChildren(SEXP self,SEXP numChildren)27065 SWIGEXPORT SEXP R_swig_OBConformerSearch_SetNumChildren ( SEXP self, SEXP numChildren) {
27066   OpenBabel::OBConformerSearch *arg1 = (OpenBabel::OBConformerSearch *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
27067   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27068   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerSearch, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27069     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerSearch_SetNumChildren" "', argument " "1"" of type '" "OpenBabel::OBConformerSearch *""'");  }
27070    arg1 = reinterpret_cast< OpenBabel::OBConformerSearch * >(argp1); arg2 = static_cast< int >(INTEGER(numChildren)[0]);
27071   (arg1)->SetNumChildren(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConformerSearch_SetMutability(SEXP self,SEXP mutability)27072 SWIGEXPORT SEXP R_swig_OBConformerSearch_SetMutability ( SEXP self, SEXP mutability) {
27073   OpenBabel::OBConformerSearch *arg1 = (OpenBabel::OBConformerSearch *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
27074   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27075   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerSearch, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27076     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerSearch_SetMutability" "', argument " "1"" of type '" "OpenBabel::OBConformerSearch *""'");  }
27077    arg1 = reinterpret_cast< OpenBabel::OBConformerSearch * >(argp1); arg2 = static_cast< int >(INTEGER(mutability)[0]);
27078   (arg1)->SetMutability(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConformerSearch_SetConvergence(SEXP self,SEXP convergence)27079 SWIGEXPORT SEXP R_swig_OBConformerSearch_SetConvergence ( SEXP self, SEXP convergence) {
27080   OpenBabel::OBConformerSearch *arg1 = (OpenBabel::OBConformerSearch *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
27081   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27082   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerSearch, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27083     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerSearch_SetConvergence" "', argument " "1"" of type '" "OpenBabel::OBConformerSearch *""'");  }
27084    arg1 = reinterpret_cast< OpenBabel::OBConformerSearch * >(argp1); arg2 = static_cast< int >(INTEGER(convergence)[0]);
27085   (arg1)->SetConvergence(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConformerSearch_SetFixedBonds(SEXP self,SEXP fixedBonds)27086 SWIGEXPORT SEXP R_swig_OBConformerSearch_SetFixedBonds ( SEXP self, SEXP fixedBonds) {
27087   OpenBabel::OBConformerSearch *arg1 = (OpenBabel::OBConformerSearch *) 0 ; OpenBabel::OBBitVec *arg2 = 0 ; void *argp1 = 0 ;
27088   int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
27089   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerSearch, 0 |  0 );
27090   if (!SWIG_IsOK(res1)) {
27091     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerSearch_SetFixedBonds" "', argument " "1"" of type '" "OpenBabel::OBConformerSearch *""'");  }
27092    arg1 = reinterpret_cast< OpenBabel::OBConformerSearch * >(argp1);
27093   res2 = SWIG_R_ConvertPtr(fixedBonds, &argp2, SWIGTYPE_p_OpenBabel__OBBitVec,  0 ); if (!SWIG_IsOK(res2)) {
27094     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConformerSearch_SetFixedBonds" "', argument " "2"" of type '" "OpenBabel::OBBitVec const &""'");  }
27095    if (!argp2) {
27096     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBConformerSearch_SetFixedBonds" "', argument " "2"" of type '" "OpenBabel::OBBitVec const &""'"); }
27097    arg2 = reinterpret_cast< OpenBabel::OBBitVec * >(argp2); (arg1)->SetFixedBonds((OpenBabel::OBBitVec const &)*arg2);
27098   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConformerSearch_SetFilter(SEXP self,SEXP filter)27099 SWIGEXPORT SEXP R_swig_OBConformerSearch_SetFilter ( SEXP self, SEXP filter) {
27100   OpenBabel::OBConformerSearch *arg1 = (OpenBabel::OBConformerSearch *) 0 ;
27101   OpenBabel::OBConformerFilter *arg2 = (OpenBabel::OBConformerFilter *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
27102   int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27103   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerSearch, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27104     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerSearch_SetFilter" "', argument " "1"" of type '" "OpenBabel::OBConformerSearch *""'");  }
27105    arg1 = reinterpret_cast< OpenBabel::OBConformerSearch * >(argp1);
27106   res2 = SWIG_R_ConvertPtr(filter, &argp2, SWIGTYPE_p_OpenBabel__OBConformerFilter, 0 |  0 ); if (!SWIG_IsOK(res2)) {
27107     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConformerSearch_SetFilter" "', argument " "2"" of type '" "OpenBabel::OBConformerFilter *""'");  }
27108    arg2 = reinterpret_cast< OpenBabel::OBConformerFilter * >(argp2); (arg1)->SetFilter(arg2); r_ans = R_NilValue;
27109   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConformerSearch_SetScore(SEXP self,SEXP score)27110 SWIGEXPORT SEXP R_swig_OBConformerSearch_SetScore ( SEXP self, SEXP score) {
27111   OpenBabel::OBConformerSearch *arg1 = (OpenBabel::OBConformerSearch *) 0 ;
27112   OpenBabel::OBConformerScore *arg2 = (OpenBabel::OBConformerScore *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
27113   int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27114   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerSearch, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27115     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerSearch_SetScore" "', argument " "1"" of type '" "OpenBabel::OBConformerSearch *""'");  }
27116    arg1 = reinterpret_cast< OpenBabel::OBConformerSearch * >(argp1);
27117   res2 = SWIG_R_ConvertPtr(score, &argp2, SWIGTYPE_p_OpenBabel__OBConformerScore, 0 |  0 ); if (!SWIG_IsOK(res2)) {
27118     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConformerSearch_SetScore" "', argument " "2"" of type '" "OpenBabel::OBConformerScore *""'");  }
27119    arg2 = reinterpret_cast< OpenBabel::OBConformerScore * >(argp2); (arg1)->SetScore(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
27120   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConformerSearch_Search(SEXP self)27121 SWIGEXPORT SEXP R_swig_OBConformerSearch_Search ( SEXP self) {
27122   OpenBabel::OBConformerSearch *arg1 = (OpenBabel::OBConformerSearch *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27123   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27124   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerSearch, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27125     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerSearch_Search" "', argument " "1"" of type '" "OpenBabel::OBConformerSearch *""'");  }
27126    arg1 = reinterpret_cast< OpenBabel::OBConformerSearch * >(argp1); (arg1)->Search(); r_ans = R_NilValue; vmaxset(r_vmax);
27127   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConformerSearch_GetRotorKeys(SEXP self,SEXP s_swig_copy)27128 SWIGEXPORT SEXP R_swig_OBConformerSearch_GetRotorKeys ( SEXP self, SEXP s_swig_copy) { OpenBabel::RotorKeys *result = 0 ;
27129   OpenBabel::OBConformerSearch *arg1 = (OpenBabel::OBConformerSearch *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27130   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27131   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerSearch, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27132     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerSearch_GetRotorKeys" "', argument " "1"" of type '" "OpenBabel::OBConformerSearch const *""'");  }
27133    arg1 = reinterpret_cast< OpenBabel::OBConformerSearch * >(argp1);
27134   result = (OpenBabel::RotorKeys *) &((OpenBabel::OBConformerSearch const *)arg1)->GetRotorKeys();
27135   r_ans = swig::from(static_cast< std::vector<std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > >(*result));
27136   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConformerSearch_GetConformers(SEXP self,SEXP mol)27137 SWIGEXPORT SEXP R_swig_OBConformerSearch_GetConformers ( SEXP self, SEXP mol) {
27138   OpenBabel::OBConformerSearch *arg1 = (OpenBabel::OBConformerSearch *) 0 ; OpenBabel::OBMol *arg2 = 0 ; void *argp1 = 0 ;
27139   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
27140   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerSearch, 0 |  0 );
27141   if (!SWIG_IsOK(res1)) {
27142     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerSearch_GetConformers" "', argument " "1"" of type '" "OpenBabel::OBConformerSearch *""'");  }
27143    arg1 = reinterpret_cast< OpenBabel::OBConformerSearch * >(argp1);
27144   res2 = SWIG_R_ConvertPtr(mol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
27145     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConformerSearch_GetConformers" "', argument " "2"" of type '" "OpenBabel::OBMol &""'");  }
27146    if (!argp2) {
27147     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBConformerSearch_GetConformers" "', argument " "2"" of type '" "OpenBabel::OBMol &""'"); }
27148    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); (arg1)->GetConformers(*arg2); r_ans = R_NilValue; vmaxset(r_vmax);
27149   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConformerSearch_SetLogStream(SEXP self,SEXP sptr)27150 SWIGEXPORT SEXP R_swig_OBConformerSearch_SetLogStream ( SEXP self, SEXP sptr) {
27151   OpenBabel::OBConformerSearch *arg1 = (OpenBabel::OBConformerSearch *) 0 ; std::ostream *arg2 = (std::ostream *) 0 ;
27152   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
27153   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerSearch, 0 |  0 );
27154   if (!SWIG_IsOK(res1)) {
27155     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerSearch_SetLogStream" "', argument " "1"" of type '" "OpenBabel::OBConformerSearch *""'");  }
27156    arg1 = reinterpret_cast< OpenBabel::OBConformerSearch * >(argp1);
27157   res2 = SWIG_R_ConvertPtr(sptr, &argp2, SWIGTYPE_p_std__ostream, 0 |  0 ); if (!SWIG_IsOK(res2)) {
27158     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBConformerSearch_SetLogStream" "', argument " "2"" of type '" "std::ostream *""'");  }
27159    arg2 = reinterpret_cast< std::ostream * >(argp2); (arg1)->SetLogStream(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
27160   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConformerSearch_SetSharing__SWIG_0(SEXP self,SEXP value)27161 SWIGEXPORT SEXP R_swig_OBConformerSearch_SetSharing__SWIG_0 ( SEXP self, SEXP value) {
27162   OpenBabel::OBConformerSearch *arg1 = (OpenBabel::OBConformerSearch *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
27163   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27164   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerSearch, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27165     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerSearch_SetSharing" "', argument " "1"" of type '" "OpenBabel::OBConformerSearch *""'");  }
27166    arg1 = reinterpret_cast< OpenBabel::OBConformerSearch * >(argp1); arg2 = LOGICAL(value)[0] ? true : false;
27167   (arg1)->SetSharing(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConformerSearch_SetSharing__SWIG_1(SEXP self)27168 SWIGEXPORT SEXP R_swig_OBConformerSearch_SetSharing__SWIG_1 ( SEXP self) {
27169   OpenBabel::OBConformerSearch *arg1 = (OpenBabel::OBConformerSearch *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27170   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27171   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerSearch, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27172     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerSearch_SetSharing" "', argument " "1"" of type '" "OpenBabel::OBConformerSearch *""'");  }
27173    arg1 = reinterpret_cast< OpenBabel::OBConformerSearch * >(argp1); (arg1)->SetSharing(); r_ans = R_NilValue; vmaxset(r_vmax);
27174   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConformerSearch_GetNbNiches(SEXP self,SEXP s_swig_copy)27175 SWIGEXPORT SEXP R_swig_OBConformerSearch_GetNbNiches ( SEXP self, SEXP s_swig_copy) { int result;
27176   OpenBabel::OBConformerSearch *arg1 = (OpenBabel::OBConformerSearch *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27177   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27178   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerSearch, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27179     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerSearch_GetNbNiches" "', argument " "1"" of type '" "OpenBabel::OBConformerSearch *""'");  }
27180    arg1 = reinterpret_cast< OpenBabel::OBConformerSearch * >(argp1); result = (int)(arg1)->GetNbNiches();
27181   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConformerSearch_SetNbNiches(SEXP self,SEXP value)27182 SWIGEXPORT SEXP R_swig_OBConformerSearch_SetNbNiches ( SEXP self, SEXP value) {
27183   OpenBabel::OBConformerSearch *arg1 = (OpenBabel::OBConformerSearch *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
27184   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27185   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerSearch, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27186     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerSearch_SetNbNiches" "', argument " "1"" of type '" "OpenBabel::OBConformerSearch *""'");  }
27187    arg1 = reinterpret_cast< OpenBabel::OBConformerSearch * >(argp1); arg2 = static_cast< int >(INTEGER(value)[0]);
27188   (arg1)->SetNbNiches(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConformerSearch_GetNicheRadius(SEXP self,SEXP s_swig_copy)27189 SWIGEXPORT SEXP R_swig_OBConformerSearch_GetNicheRadius ( SEXP self, SEXP s_swig_copy) { int result;
27190   OpenBabel::OBConformerSearch *arg1 = (OpenBabel::OBConformerSearch *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27191   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27192   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerSearch, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27193     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerSearch_GetNicheRadius" "', argument " "1"" of type '" "OpenBabel::OBConformerSearch *""'");  }
27194    arg1 = reinterpret_cast< OpenBabel::OBConformerSearch * >(argp1); result = (int)(arg1)->GetNicheRadius();
27195   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConformerSearch_SetNicheRadius(SEXP self,SEXP value)27196 SWIGEXPORT SEXP R_swig_OBConformerSearch_SetNicheRadius ( SEXP self, SEXP value) {
27197   OpenBabel::OBConformerSearch *arg1 = (OpenBabel::OBConformerSearch *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
27198   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27199   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerSearch, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27200     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerSearch_SetNicheRadius" "', argument " "1"" of type '" "OpenBabel::OBConformerSearch *""'");  }
27201    arg1 = reinterpret_cast< OpenBabel::OBConformerSearch * >(argp1); arg2 = static_cast< int >(INTEGER(value)[0]);
27202   (arg1)->SetNicheRadius(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConformerSearch_GetAlphaSharing(SEXP self,SEXP s_swig_copy)27203 SWIGEXPORT SEXP R_swig_OBConformerSearch_GetAlphaSharing ( SEXP self, SEXP s_swig_copy) { double result;
27204   OpenBabel::OBConformerSearch *arg1 = (OpenBabel::OBConformerSearch *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27205   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27206   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerSearch, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27207     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerSearch_GetAlphaSharing" "', argument " "1"" of type '" "OpenBabel::OBConformerSearch *""'");  }
27208    arg1 = reinterpret_cast< OpenBabel::OBConformerSearch * >(argp1); result = (double)(arg1)->GetAlphaSharing();
27209   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
27210   return r_ans; }
R_swig_OBConformerSearch_SetAlphaSharing(SEXP self,SEXP value)27211 SWIGEXPORT SEXP R_swig_OBConformerSearch_SetAlphaSharing ( SEXP self, SEXP value) {
27212   OpenBabel::OBConformerSearch *arg1 = (OpenBabel::OBConformerSearch *) 0 ; double arg2 ; void *argp1 = 0 ; int res1 = 0 ;
27213   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27214   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerSearch, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27215     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerSearch_SetAlphaSharing" "', argument " "1"" of type '" "OpenBabel::OBConformerSearch *""'");  }
27216    arg1 = reinterpret_cast< OpenBabel::OBConformerSearch * >(argp1); arg2 = static_cast< double >(REAL(value)[0]);
27217   (arg1)->SetAlphaSharing(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConformerSearch_GetSigmaSharing(SEXP self,SEXP s_swig_copy)27218 SWIGEXPORT SEXP R_swig_OBConformerSearch_GetSigmaSharing ( SEXP self, SEXP s_swig_copy) { double result;
27219   OpenBabel::OBConformerSearch *arg1 = (OpenBabel::OBConformerSearch *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27220   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27221   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerSearch, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27222     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerSearch_GetSigmaSharing" "', argument " "1"" of type '" "OpenBabel::OBConformerSearch *""'");  }
27223    arg1 = reinterpret_cast< OpenBabel::OBConformerSearch * >(argp1); result = (double)(arg1)->GetSigmaSharing();
27224   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
27225   return r_ans; }
R_swig_OBConformerSearch_SetSigmaSharing(SEXP self,SEXP value)27226 SWIGEXPORT SEXP R_swig_OBConformerSearch_SetSigmaSharing ( SEXP self, SEXP value) {
27227   OpenBabel::OBConformerSearch *arg1 = (OpenBabel::OBConformerSearch *) 0 ; double arg2 ; void *argp1 = 0 ; int res1 = 0 ;
27228   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27229   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerSearch, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27230     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerSearch_SetSigmaSharing" "', argument " "1"" of type '" "OpenBabel::OBConformerSearch *""'");  }
27231    arg1 = reinterpret_cast< OpenBabel::OBConformerSearch * >(argp1); arg2 = static_cast< double >(REAL(value)[0]);
27232   (arg1)->SetSigmaSharing(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConformerSearch_GetCrossoverProbability(SEXP self,SEXP s_swig_copy)27233 SWIGEXPORT SEXP R_swig_OBConformerSearch_GetCrossoverProbability ( SEXP self, SEXP s_swig_copy) { double result;
27234   OpenBabel::OBConformerSearch *arg1 = (OpenBabel::OBConformerSearch *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27235   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27236   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerSearch, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27237     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerSearch_GetCrossoverProbability" "', argument " "1"" of type '" "OpenBabel::OBConformerSearch *""'");  }
27238    arg1 = reinterpret_cast< OpenBabel::OBConformerSearch * >(argp1); result = (double)(arg1)->GetCrossoverProbability();
27239   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
27240   return r_ans; }
R_swig_OBConformerSearch_SetCrossoverProbability(SEXP self,SEXP value)27241 SWIGEXPORT SEXP R_swig_OBConformerSearch_SetCrossoverProbability ( SEXP self, SEXP value) {
27242   OpenBabel::OBConformerSearch *arg1 = (OpenBabel::OBConformerSearch *) 0 ; double arg2 ; void *argp1 = 0 ; int res1 = 0 ;
27243   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27244   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerSearch, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27245     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerSearch_SetCrossoverProbability" "', argument " "1"" of type '" "OpenBabel::OBConformerSearch *""'");  }
27246    arg1 = reinterpret_cast< OpenBabel::OBConformerSearch * >(argp1); arg2 = static_cast< double >(REAL(value)[0]);
27247   (arg1)->SetCrossoverProbability(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
27248   return r_ans; }
R_swig_OBConformerSearch_GetNicheMating(SEXP self,SEXP s_swig_copy)27249 SWIGEXPORT SEXP R_swig_OBConformerSearch_GetNicheMating ( SEXP self, SEXP s_swig_copy) { double result;
27250   OpenBabel::OBConformerSearch *arg1 = (OpenBabel::OBConformerSearch *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27251   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27252   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerSearch, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27253     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerSearch_GetNicheMating" "', argument " "1"" of type '" "OpenBabel::OBConformerSearch *""'");  }
27254    arg1 = reinterpret_cast< OpenBabel::OBConformerSearch * >(argp1); result = (double)(arg1)->GetNicheMating();
27255   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
27256   return r_ans; }
R_swig_OBConformerSearch_SetNicheMating(SEXP self,SEXP value)27257 SWIGEXPORT SEXP R_swig_OBConformerSearch_SetNicheMating ( SEXP self, SEXP value) {
27258   OpenBabel::OBConformerSearch *arg1 = (OpenBabel::OBConformerSearch *) 0 ; double arg2 ; void *argp1 = 0 ; int res1 = 0 ;
27259   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27260   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerSearch, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27261     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerSearch_SetNicheMating" "', argument " "1"" of type '" "OpenBabel::OBConformerSearch *""'");  }
27262    arg1 = reinterpret_cast< OpenBabel::OBConformerSearch * >(argp1); arg2 = static_cast< double >(REAL(value)[0]);
27263   (arg1)->SetNicheMating(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConformerSearch_SetLocalOptRate__SWIG_0(SEXP self,SEXP value)27264 SWIGEXPORT SEXP R_swig_OBConformerSearch_SetLocalOptRate__SWIG_0 ( SEXP self, SEXP value) {
27265   OpenBabel::OBConformerSearch *arg1 = (OpenBabel::OBConformerSearch *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
27266   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27267   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerSearch, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27268     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerSearch_SetLocalOptRate" "', argument " "1"" of type '" "OpenBabel::OBConformerSearch *""'");  }
27269    arg1 = reinterpret_cast< OpenBabel::OBConformerSearch * >(argp1); arg2 = static_cast< int >(INTEGER(value)[0]);
27270   (arg1)->SetLocalOptRate(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBConformerSearch_SetLocalOptRate__SWIG_1(SEXP self,SEXP s_swig_copy)27271 SWIGEXPORT SEXP R_swig_OBConformerSearch_SetLocalOptRate__SWIG_1 ( SEXP self, SEXP s_swig_copy) { int result;
27272   OpenBabel::OBConformerSearch *arg1 = (OpenBabel::OBConformerSearch *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27273   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27274   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBConformerSearch, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27275     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBConformerSearch_SetLocalOptRate" "', argument " "1"" of type '" "OpenBabel::OBConformerSearch *""'");  }
27276    arg1 = reinterpret_cast< OpenBabel::OBConformerSearch * >(argp1); result = (int)(arg1)->SetLocalOptRate();
27277   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBAlign__SWIG_0(SEXP includeH,SEXP symmetry)27278 SWIGEXPORT SEXP R_swig_new_OBAlign__SWIG_0 ( SEXP includeH, SEXP symmetry) { OpenBabel::OBAlign *result = 0 ; bool arg1 ;
27279   bool arg2 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27280   arg1 = LOGICAL(includeH)[0] ? true : false; arg2 = LOGICAL(symmetry)[0] ? true : false;
27281   result = (OpenBabel::OBAlign *)new OpenBabel::OBAlign(arg1,arg2);
27282   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAlign, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
27283   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBAlign__SWIG_1(SEXP includeH)27284 SWIGEXPORT SEXP R_swig_new_OBAlign__SWIG_1 ( SEXP includeH) { OpenBabel::OBAlign *result = 0 ; bool arg1 ;
27285   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27286   arg1 = LOGICAL(includeH)[0] ? true : false; result = (OpenBabel::OBAlign *)new OpenBabel::OBAlign(arg1);
27287   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAlign, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
27288   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBAlign__SWIG_2()27289 SWIGEXPORT SEXP R_swig_new_OBAlign__SWIG_2 ( ) { OpenBabel::OBAlign *result = 0 ; unsigned int r_nprotect = 0;
27290   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBAlign *)new OpenBabel::OBAlign();
27291   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAlign, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
27292   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBAlign__SWIG_3(SEXP refmol,SEXP targetmol,SEXP includeH,SEXP symmetry)27293 SWIGEXPORT SEXP R_swig_new_OBAlign__SWIG_3 ( SEXP refmol, SEXP targetmol, SEXP includeH, SEXP symmetry) {
27294   OpenBabel::OBAlign *result = 0 ; OpenBabel::OBMol *arg1 = 0 ; OpenBabel::OBMol *arg2 = 0 ; bool arg3 ; bool arg4 ;
27295   void *argp1 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
27296   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(refmol, &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 );
27297   if (!SWIG_IsOK(res1)) {
27298     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBAlign" "', argument " "1"" of type '" "OpenBabel::OBMol const &""'");  }
27299    if (!argp1) {
27300     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBAlign" "', argument " "1"" of type '" "OpenBabel::OBMol const &""'"); }
27301    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
27302   res2 = SWIG_R_ConvertPtr(targetmol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
27303     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_OBAlign" "', argument " "2"" of type '" "OpenBabel::OBMol const &""'");  }
27304    if (!argp2) {
27305     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBAlign" "', argument " "2"" of type '" "OpenBabel::OBMol const &""'"); }
27306    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); arg3 = LOGICAL(includeH)[0] ? true : false;
27307   arg4 = LOGICAL(symmetry)[0] ? true : false;
27308   result = (OpenBabel::OBAlign *)new OpenBabel::OBAlign((OpenBabel::OBMol const &)*arg1,(OpenBabel::OBMol const &)*arg2,arg3,arg4);
27309   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAlign, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
27310   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBAlign__SWIG_4(SEXP refmol,SEXP targetmol,SEXP includeH)27311 SWIGEXPORT SEXP R_swig_new_OBAlign__SWIG_4 ( SEXP refmol, SEXP targetmol, SEXP includeH) { OpenBabel::OBAlign *result = 0 ;
27312   OpenBabel::OBMol *arg1 = 0 ; OpenBabel::OBMol *arg2 = 0 ; bool arg3 ; void *argp1 ; int res1 = 0 ; void *argp2 ;
27313   int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27314   res1 = SWIG_R_ConvertPtr(refmol, &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res1)) {
27315     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBAlign" "', argument " "1"" of type '" "OpenBabel::OBMol const &""'");  }
27316    if (!argp1) {
27317     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBAlign" "', argument " "1"" of type '" "OpenBabel::OBMol const &""'"); }
27318    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
27319   res2 = SWIG_R_ConvertPtr(targetmol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
27320     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_OBAlign" "', argument " "2"" of type '" "OpenBabel::OBMol const &""'");  }
27321    if (!argp2) {
27322     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBAlign" "', argument " "2"" of type '" "OpenBabel::OBMol const &""'"); }
27323    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); arg3 = LOGICAL(includeH)[0] ? true : false;
27324   result = (OpenBabel::OBAlign *)new OpenBabel::OBAlign((OpenBabel::OBMol const &)*arg1,(OpenBabel::OBMol const &)*arg2,arg3);
27325   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAlign, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
27326   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBAlign__SWIG_5(SEXP refmol,SEXP targetmol)27327 SWIGEXPORT SEXP R_swig_new_OBAlign__SWIG_5 ( SEXP refmol, SEXP targetmol) { OpenBabel::OBAlign *result = 0 ;
27328   OpenBabel::OBMol *arg1 = 0 ; OpenBabel::OBMol *arg2 = 0 ; void *argp1 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ;
27329   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27330   res1 = SWIG_R_ConvertPtr(refmol, &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res1)) {
27331     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBAlign" "', argument " "1"" of type '" "OpenBabel::OBMol const &""'");  }
27332    if (!argp1) {
27333     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBAlign" "', argument " "1"" of type '" "OpenBabel::OBMol const &""'"); }
27334    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
27335   res2 = SWIG_R_ConvertPtr(targetmol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
27336     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_OBAlign" "', argument " "2"" of type '" "OpenBabel::OBMol const &""'");  }
27337    if (!argp2) {
27338     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBAlign" "', argument " "2"" of type '" "OpenBabel::OBMol const &""'"); }
27339    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2);
27340   result = (OpenBabel::OBAlign *)new OpenBabel::OBAlign((OpenBabel::OBMol const &)*arg1,(OpenBabel::OBMol const &)*arg2);
27341   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAlign, R_SWIG_OWNER |  0 ); vmaxset(r_vmax);
27342   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBAlign__SWIG_6(SEXP ref,SEXP target)27343 SWIGEXPORT SEXP R_swig_new_OBAlign__SWIG_6 ( SEXP ref, SEXP target) { OpenBabel::OBAlign *result = 0 ;
27344   std::vector< OpenBabel::vector3 > *arg1 = 0 ; std::vector< OpenBabel::vector3 > *arg2 = 0 ; int res1 = SWIG_OLDOBJ ;
27345   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; {
27346     std::vector<OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > *ptr = (std::vector<OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > *)0;
27347     res1 = swig::asptr(ref, &ptr); if (!SWIG_IsOK(res1)) {
27348       SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBAlign" "', argument " "1"" of type '" "std::vector< OpenBabel::vector3 > const &""'"); }
27349      if (!ptr) {
27350       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBAlign" "', argument " "1"" of type '" "std::vector< OpenBabel::vector3 > const &""'"); }
27351      arg1 = ptr; }  {
27352     std::vector<OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > *ptr = (std::vector<OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > *)0;
27353     res2 = swig::asptr(target, &ptr); if (!SWIG_IsOK(res2)) {
27354       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "new_OBAlign" "', argument " "2"" of type '" "std::vector< OpenBabel::vector3 > const &""'"); }
27355      if (!ptr) {
27356       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBAlign" "', argument " "2"" of type '" "std::vector< OpenBabel::vector3 > const &""'"); }
27357      arg2 = ptr; }
27358   result = (OpenBabel::OBAlign *)new OpenBabel::OBAlign((std::vector< OpenBabel::vector3 > const &)*arg1,(std::vector< OpenBabel::vector3 > const &)*arg2);
27359   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAlign, R_SWIG_OWNER |  0 );
27360   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax);
27361   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAlign_SetRef(SEXP self,SEXP ref)27362 SWIGEXPORT SEXP R_swig_OBAlign_SetRef ( SEXP self, SEXP ref) { OpenBabel::OBAlign *arg1 = (OpenBabel::OBAlign *) 0 ;
27363   std::vector< OpenBabel::vector3 > *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ; int res2 = SWIG_OLDOBJ ;
27364   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27365   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAlign, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27366     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAlign_SetRef" "', argument " "1"" of type '" "OpenBabel::OBAlign *""'");  }
27367    arg1 = reinterpret_cast< OpenBabel::OBAlign * >(argp1); {
27368     std::vector<OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > *ptr = (std::vector<OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > *)0;
27369     res2 = swig::asptr(ref, &ptr); if (!SWIG_IsOK(res2)) {
27370       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAlign_SetRef" "', argument " "2"" of type '" "std::vector< OpenBabel::vector3 > const &""'"); }
27371      if (!ptr) {
27372       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAlign_SetRef" "', argument " "2"" of type '" "std::vector< OpenBabel::vector3 > const &""'"); }
27373      arg2 = ptr; }  (arg1)->SetRef((std::vector< OpenBabel::vector3 > const &)*arg2); r_ans = R_NilValue;
27374   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAlign_SetTarget(SEXP self,SEXP target)27375 SWIGEXPORT SEXP R_swig_OBAlign_SetTarget ( SEXP self, SEXP target) { OpenBabel::OBAlign *arg1 = (OpenBabel::OBAlign *) 0 ;
27376   std::vector< OpenBabel::vector3 > *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ; int res2 = SWIG_OLDOBJ ;
27377   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27378   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAlign, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27379     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAlign_SetTarget" "', argument " "1"" of type '" "OpenBabel::OBAlign *""'");  }
27380    arg1 = reinterpret_cast< OpenBabel::OBAlign * >(argp1); {
27381     std::vector<OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > *ptr = (std::vector<OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > *)0;
27382     res2 = swig::asptr(target, &ptr); if (!SWIG_IsOK(res2)) {
27383       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAlign_SetTarget" "', argument " "2"" of type '" "std::vector< OpenBabel::vector3 > const &""'"); }
27384      if (!ptr) {
27385       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAlign_SetTarget" "', argument " "2"" of type '" "std::vector< OpenBabel::vector3 > const &""'"); }
27386      arg2 = ptr; }  (arg1)->SetTarget((std::vector< OpenBabel::vector3 > const &)*arg2); r_ans = R_NilValue;
27387   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAlign_SetRefMol(SEXP self,SEXP refmol)27388 SWIGEXPORT SEXP R_swig_OBAlign_SetRefMol ( SEXP self, SEXP refmol) { OpenBabel::OBAlign *arg1 = (OpenBabel::OBAlign *) 0 ;
27389   OpenBabel::OBMol *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0;
27390   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27391   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAlign, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27392     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAlign_SetRefMol" "', argument " "1"" of type '" "OpenBabel::OBAlign *""'");  }
27393    arg1 = reinterpret_cast< OpenBabel::OBAlign * >(argp1);
27394   res2 = SWIG_R_ConvertPtr(refmol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
27395     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAlign_SetRefMol" "', argument " "2"" of type '" "OpenBabel::OBMol const &""'");  }
27396    if (!argp2) {
27397     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAlign_SetRefMol" "', argument " "2"" of type '" "OpenBabel::OBMol const &""'"); }
27398    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); (arg1)->SetRefMol((OpenBabel::OBMol const &)*arg2); r_ans = R_NilValue;
27399   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAlign_SetTargetMol(SEXP self,SEXP targetmol)27400 SWIGEXPORT SEXP R_swig_OBAlign_SetTargetMol ( SEXP self, SEXP targetmol) { OpenBabel::OBAlign *arg1 = (OpenBabel::OBAlign *) 0 ;
27401   OpenBabel::OBMol *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0;
27402   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27403   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAlign, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27404     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAlign_SetTargetMol" "', argument " "1"" of type '" "OpenBabel::OBAlign *""'");  }
27405    arg1 = reinterpret_cast< OpenBabel::OBAlign * >(argp1);
27406   res2 = SWIG_R_ConvertPtr(targetmol, &argp2, SWIGTYPE_p_OpenBabel__OBMol,  0 ); if (!SWIG_IsOK(res2)) {
27407     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAlign_SetTargetMol" "', argument " "2"" of type '" "OpenBabel::OBMol const &""'");  }
27408    if (!argp2) {
27409     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAlign_SetTargetMol" "', argument " "2"" of type '" "OpenBabel::OBMol const &""'"); }
27410    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); (arg1)->SetTargetMol((OpenBabel::OBMol const &)*arg2);
27411   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAlign_Align(SEXP self,SEXP s_swig_copy)27412 SWIGEXPORT SEXP R_swig_OBAlign_Align ( SEXP self, SEXP s_swig_copy) { bool result;
27413   OpenBabel::OBAlign *arg1 = (OpenBabel::OBAlign *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
27414   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27415   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAlign, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27416     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAlign_Align" "', argument " "1"" of type '" "OpenBabel::OBAlign *""'");  }
27417    arg1 = reinterpret_cast< OpenBabel::OBAlign * >(argp1); result = (bool)(arg1)->Align(); r_ans = Rf_ScalarLogical(result);
27418   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAlign_SetMethod(SEXP self,SEXP method)27419 SWIGEXPORT SEXP R_swig_OBAlign_SetMethod ( SEXP self, SEXP method) { OpenBabel::OBAlign *arg1 = (OpenBabel::OBAlign *) 0 ;
27420   enum OpenBabel::OBAlign::AlignMethod arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ;
27421   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27422   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAlign, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27423     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAlign_SetMethod" "', argument " "1"" of type '" "OpenBabel::OBAlign *""'");  }
27424    arg1 = reinterpret_cast< OpenBabel::OBAlign * >(argp1); ecode2 = SWIG_AsVal_int(method, &val2); if (!SWIG_IsOK(ecode2)) {
27425     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBAlign_SetMethod" "', argument " "2"" of type '" "enum OpenBabel::OBAlign::AlignMethod""'"); }
27426     arg2 = static_cast< enum OpenBabel::OBAlign::AlignMethod >(val2); (arg1)->SetMethod(arg2); r_ans = R_NilValue;
27427   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAlign_GetRMSD(SEXP self,SEXP s_swig_copy)27428 SWIGEXPORT SEXP R_swig_OBAlign_GetRMSD ( SEXP self, SEXP s_swig_copy) { double result;
27429   OpenBabel::OBAlign *arg1 = (OpenBabel::OBAlign *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
27430   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27431   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAlign, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27432     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAlign_GetRMSD" "', argument " "1"" of type '" "OpenBabel::OBAlign *""'");  }
27433    arg1 = reinterpret_cast< OpenBabel::OBAlign * >(argp1); result = (double)(arg1)->GetRMSD();
27434   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
27435   return r_ans; }
R_swig_OBAlign_GetRotMatrix(SEXP self,SEXP s_swig_copy)27436 SWIGEXPORT SEXP R_swig_OBAlign_GetRotMatrix ( SEXP self, SEXP s_swig_copy) { OpenBabel::matrix3x3 result;
27437   OpenBabel::OBAlign *arg1 = (OpenBabel::OBAlign *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
27438   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27439   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAlign, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27440     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAlign_GetRotMatrix" "', argument " "1"" of type '" "OpenBabel::OBAlign *""'");  }
27441    arg1 = reinterpret_cast< OpenBabel::OBAlign * >(argp1); result = (arg1)->GetRotMatrix();
27442   r_ans = SWIG_R_NewPointerObj((new OpenBabel::matrix3x3(static_cast< const OpenBabel::matrix3x3& >(result))), SWIGTYPE_p_OpenBabel__matrix3x3, SWIG_POINTER_OWN |  0 );
27443   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAlign_GetAlignment(SEXP self,SEXP s_swig_copy)27444 SWIGEXPORT SEXP R_swig_OBAlign_GetAlignment ( SEXP self, SEXP s_swig_copy) { std::vector< OpenBabel::vector3 > result;
27445   OpenBabel::OBAlign *arg1 = (OpenBabel::OBAlign *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
27446   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27447   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAlign, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27448     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAlign_GetAlignment" "', argument " "1"" of type '" "OpenBabel::OBAlign *""'");  }
27449    arg1 = reinterpret_cast< OpenBabel::OBAlign * >(argp1); result = (arg1)->GetAlignment();
27450   r_ans = swig::from(static_cast< std::vector<OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > >(result));
27451   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAlign_UpdateCoords(SEXP self,SEXP target,SEXP s_swig_copy)27452 SWIGEXPORT SEXP R_swig_OBAlign_UpdateCoords ( SEXP self, SEXP target, SEXP s_swig_copy) { bool result;
27453   OpenBabel::OBAlign *arg1 = (OpenBabel::OBAlign *) 0 ; OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ;
27454   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
27455   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAlign, 0 |  0 );
27456   if (!SWIG_IsOK(res1)) {
27457     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAlign_UpdateCoords" "', argument " "1"" of type '" "OpenBabel::OBAlign *""'");  }
27458    arg1 = reinterpret_cast< OpenBabel::OBAlign * >(argp1);
27459   res2 = SWIG_R_ConvertPtr(target, &argp2, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res2)) {
27460     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAlign_UpdateCoords" "', argument " "2"" of type '" "OpenBabel::OBMol *""'");  }
27461    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); result = (bool)(arg1)->UpdateCoords(arg2);
27462   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBAlign(SEXP self)27463 SWIGEXPORT SEXP R_swig_delete_OBAlign ( SEXP self) { OpenBabel::OBAlign *arg1 = (OpenBabel::OBAlign *) 0 ; void *argp1 = 0 ;
27464   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27465   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAlign, SWIG_POINTER_DISOWN |  0 ); if (!SWIG_IsOK(res1)) {
27466     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBAlign" "', argument " "1"" of type '" "OpenBabel::OBAlign *""'");  }
27467    arg1 = reinterpret_cast< OpenBabel::OBAlign * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
27468   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_new_OBMolAtomIter__SWIG_0()27469 SWIGEXPORT SEXP R_swig_new_OBMolAtomIter__SWIG_0 ( ) { OpenBabel::OBMolAtomIter *result = 0 ; unsigned int r_nprotect = 0;
27470   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBMolAtomIter *)new OpenBabel::OBMolAtomIter();
27471   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMolAtomIter, R_SWIG_OWNER |  0 );
27472   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBMolAtomIter__SWIG_1(SEXP mol)27473 SWIGEXPORT SEXP R_swig_new_OBMolAtomIter__SWIG_1 ( SEXP mol) { OpenBabel::OBMolAtomIter *result = 0 ;
27474   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
27475   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27476   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27477     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBMolAtomIter" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
27478    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
27479   result = (OpenBabel::OBMolAtomIter *)new OpenBabel::OBMolAtomIter(arg1);
27480   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMolAtomIter, R_SWIG_OWNER |  0 );
27481   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBMolAtomIter__SWIG_2(SEXP ai)27482 SWIGEXPORT SEXP R_swig_new_OBMolAtomIter__SWIG_2 ( SEXP ai) { OpenBabel::OBMolAtomIter *result = 0 ;
27483   OpenBabel::OBMolAtomIter *arg1 = 0 ; void *argp1 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
27484   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(ai, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter,  0 );
27485   if (!SWIG_IsOK(res1)) {
27486     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBMolAtomIter" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const &""'");  }
27487    if (!argp1) {
27488     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBMolAtomIter" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const &""'"); }
27489    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1);
27490   result = (OpenBabel::OBMolAtomIter *)new OpenBabel::OBMolAtomIter((OpenBabel::OBMolAtomIter const &)*arg1);
27491   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMolAtomIter, R_SWIG_OWNER |  0 );
27492   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBMolAtomIter(SEXP self)27493 SWIGEXPORT SEXP R_swig_delete_OBMolAtomIter ( SEXP self) { OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ;
27494   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27495   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, SWIG_POINTER_DISOWN |  0 );
27496   if (!SWIG_IsOK(res1)) {
27497     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBMolAtomIter" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
27498    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
27499   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBMolAtomIter_HasMore(SEXP self,SEXP s_swig_copy)27500 SWIGEXPORT SEXP R_swig_OBMolAtomIter_HasMore ( SEXP self, SEXP s_swig_copy) { bool result;
27501   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27502   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27503   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27504     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_HasMore" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const *""'");  }
27505    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1);
27506   result = (bool)((OpenBabel::OBMolAtomIter const *)arg1)->operator bool(); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
27507   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_inc__SWIG_0(SEXP self,SEXP s_swig_copy)27508 SWIGEXPORT SEXP R_swig_OBMolAtomIter_inc__SWIG_0 ( SEXP self, SEXP s_swig_copy) { OpenBabel::OBMolAtomIter *result = 0 ;
27509   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27510   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27511   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27512     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_inc" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
27513    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (OpenBabel::OBMolAtomIter *) &(arg1)->operator ++();
27514   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMolAtomIter, R_SWIG_EXTERNAL |  0 );
27515   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_inc__SWIG_1(SEXP self,SEXP s_arg2,SEXP s_swig_copy)27516 SWIGEXPORT SEXP R_swig_OBMolAtomIter_inc__SWIG_1 ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { OpenBabel::OBMolAtomIter result;
27517   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
27518   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27519   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27520     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_inc" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
27521    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
27522   result = (arg1)->operator ++(arg2);
27523   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBMolAtomIter(static_cast< const OpenBabel::OBMolAtomIter& >(result))), SWIGTYPE_p_OpenBabel__OBMolAtomIter, SWIG_POINTER_OWN |  0 );
27524   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter___deref__(SEXP self)27525 SWIGEXPORT SEXP R_swig_OBMolAtomIter___deref__ ( SEXP self) { OpenBabel::OBAtom *result = 0 ;
27526   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27527   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27528   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27529     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter___deref__" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const *""'");  }
27530    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1);
27531   result = (OpenBabel::OBAtom *)((OpenBabel::OBMolAtomIter const *)arg1)->operator ->();
27532   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
27533   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter___ref__(SEXP self,SEXP s_swig_copy)27534 SWIGEXPORT SEXP R_swig_OBMolAtomIter___ref__ ( SEXP self, SEXP s_swig_copy) { OpenBabel::OBAtom *result = 0 ;
27535   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27536   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27537   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27538     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter___ref__" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const *""'");  }
27539    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1);
27540   result = (OpenBabel::OBAtom *) &((OpenBabel::OBMolAtomIter const *)arg1)->operator *();
27541   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
27542   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_Visit_set(SEXP self,SEXP s_Visit)27543 SWIGEXPORT SEXP R_swig_OBMolAtomIter_Visit_set ( SEXP self, SEXP s_Visit) {
27544   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
27545   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27546   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27547     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
27548    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); arg2 = LOGICAL(s_Visit)[0] ? true : false;
27549   if (arg1) (*arg1)->Visit = arg2; r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_Visit_get(SEXP self,SEXP s_swig_copy)27550 SWIGEXPORT SEXP R_swig_OBMolAtomIter_Visit_get ( SEXP self, SEXP s_swig_copy) { bool result;
27551   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27552   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27553   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27554     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
27555    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (bool) ((*arg1)->Visit);
27556   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_Duplicate(SEXP self,SEXP s_arg2)27557 SWIGEXPORT SEXP R_swig_OBMolAtomIter_Duplicate ( SEXP self, SEXP s_arg2) {
27558   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
27559   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
27560   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 );
27561   if (!SWIG_IsOK(res1)) {
27562     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_Duplicate" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
27563    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1);
27564   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
27565     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_Duplicate" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
27566    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); (*arg1)->Duplicate(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
27567   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_SetIdx(SEXP self,SEXP idx)27568 SWIGEXPORT SEXP R_swig_OBMolAtomIter_SetIdx ( SEXP self, SEXP idx) {
27569   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
27570   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27571   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27572     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_SetIdx" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
27573    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); arg2 = static_cast< int >(INTEGER(idx)[0]);
27574   (*arg1)->SetIdx(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_SetId(SEXP self,SEXP id)27575 SWIGEXPORT SEXP R_swig_OBMolAtomIter_SetId ( SEXP self, SEXP id) {
27576   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; unsigned long arg2 ; void *argp1 = 0 ; int res1 = 0 ;
27577   long val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27578   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27579     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_SetId" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
27580    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); ecode2 = SWIG_AsVal_long(id, &val2); if (!SWIG_IsOK(ecode2)) {
27581     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomIter_SetId" "', argument " "2"" of type '" "unsigned long""'"); }
27582     arg2 = static_cast< unsigned long >(val2); (*arg1)->SetId(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
27583   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_SetHyb(SEXP self,SEXP hyb)27584 SWIGEXPORT SEXP R_swig_OBMolAtomIter_SetHyb ( SEXP self, SEXP hyb) {
27585   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
27586   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27587   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27588     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_SetHyb" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
27589    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); arg2 = static_cast< int >(INTEGER(hyb)[0]);
27590   (*arg1)->SetHyb(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_SetAtomicNum(SEXP self,SEXP atomicnum)27591 SWIGEXPORT SEXP R_swig_OBMolAtomIter_SetAtomicNum ( SEXP self, SEXP atomicnum) {
27592   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
27593   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27594   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27595     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_SetAtomicNum" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
27596    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); arg2 = static_cast< int >(INTEGER(atomicnum)[0]);
27597   (*arg1)->SetAtomicNum(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_SetIsotope(SEXP self,SEXP iso)27598 SWIGEXPORT SEXP R_swig_OBMolAtomIter_SetIsotope ( SEXP self, SEXP iso) {
27599   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
27600   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27601   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27602     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_SetIsotope" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
27603    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); ecode2 = SWIG_AsVal_int(iso, &val2); if (!SWIG_IsOK(ecode2)) {
27604     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomIter_SetIsotope" "', argument " "2"" of type '" "unsigned int""'"); }
27605     arg2 = static_cast< unsigned int >(val2); (*arg1)->SetIsotope(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
27606   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_SetImplicitValence(SEXP self,SEXP val)27607 SWIGEXPORT SEXP R_swig_OBMolAtomIter_SetImplicitValence ( SEXP self, SEXP val) {
27608   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
27609   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27610   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27611     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_SetImplicitValence" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
27612    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); arg2 = static_cast< int >(INTEGER(val)[0]);
27613   (*arg1)->SetImplicitValence(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
27614   return r_ans; }
R_swig_OBMolAtomIter_IncrementImplicitValence(SEXP self)27615 SWIGEXPORT SEXP R_swig_OBMolAtomIter_IncrementImplicitValence ( SEXP self) {
27616   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27617   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27618   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27619     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_IncrementImplicitValence" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
27620    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); (*arg1)->IncrementImplicitValence(); r_ans = R_NilValue;
27621   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_DecrementImplicitValence(SEXP self)27622 SWIGEXPORT SEXP R_swig_OBMolAtomIter_DecrementImplicitValence ( SEXP self) {
27623   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27624   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27625   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27626     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_DecrementImplicitValence" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
27627    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); (*arg1)->DecrementImplicitValence(); r_ans = R_NilValue;
27628   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_SetFormalCharge(SEXP self,SEXP fcharge)27629 SWIGEXPORT SEXP R_swig_OBMolAtomIter_SetFormalCharge ( SEXP self, SEXP fcharge) {
27630   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
27631   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27632   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27633     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_SetFormalCharge" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
27634    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); arg2 = static_cast< int >(INTEGER(fcharge)[0]);
27635   (*arg1)->SetFormalCharge(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_SetSpinMultiplicity(SEXP self,SEXP spin)27636 SWIGEXPORT SEXP R_swig_OBMolAtomIter_SetSpinMultiplicity ( SEXP self, SEXP spin) {
27637   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; short arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ;
27638   int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27639   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27640     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_SetSpinMultiplicity" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
27641    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); ecode2 = SWIG_AsVal_int(spin, &val2); if (!SWIG_IsOK(ecode2)) {
27642     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomIter_SetSpinMultiplicity" "', argument " "2"" of type '" "short""'"); }
27643     arg2 = static_cast< short >(val2); (*arg1)->SetSpinMultiplicity(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
27644   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_SetType(SEXP self,SEXP type)27645 SWIGEXPORT SEXP R_swig_OBMolAtomIter_SetType ( SEXP self, SEXP type) {
27646   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
27647   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27648   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27649     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_SetType" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
27650    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); { std::string *ptr = (std::string *)0;
27651     res2 = SWIG_AsPtr_std_string(type, &ptr); if (!SWIG_IsOK(res2)) {
27652       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_SetType" "', argument " "2"" of type '" "std::string const &""'"); }
27653      if (!ptr) {
27654       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomIter_SetType" "', argument " "2"" of type '" "std::string const &""'"); }
27655      arg2 = ptr; }  (*arg1)->SetType((std::string const &)*arg2); r_ans = R_NilValue; if (SWIG_IsNewObj(res2)) delete arg2;
27656   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_SetPartialCharge(SEXP self,SEXP pcharge)27657 SWIGEXPORT SEXP R_swig_OBMolAtomIter_SetPartialCharge ( SEXP self, SEXP pcharge) {
27658   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; double arg2 ; void *argp1 = 0 ; int res1 = 0 ;
27659   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27660   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27661     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_SetPartialCharge" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
27662    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); arg2 = static_cast< double >(REAL(pcharge)[0]);
27663   (*arg1)->SetPartialCharge(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_SetVector__SWIG_0(SEXP self,SEXP v)27664 SWIGEXPORT SEXP R_swig_OBMolAtomIter_SetVector__SWIG_0 ( SEXP self, SEXP v) {
27665   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; OpenBabel::vector3 *arg2 = 0 ; void *argp1 = 0 ;
27666   int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
27667   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 );
27668   if (!SWIG_IsOK(res1)) {
27669     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_SetVector" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
27670    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1);
27671   res2 = SWIG_R_ConvertPtr(v, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
27672     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_SetVector" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'");  }
27673    if (!argp2) {
27674     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomIter_SetVector" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'"); }
27675    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2); (*arg1)->SetVector((OpenBabel::vector3 const &)*arg2);
27676   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_SetVector__SWIG_1(SEXP self,SEXP x,SEXP y,SEXP z)27677 SWIGEXPORT SEXP R_swig_OBMolAtomIter_SetVector__SWIG_1 ( SEXP self, SEXP x, SEXP y, SEXP z) {
27678   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; double arg2 ; double arg3 ; double arg4 ; void *argp1 = 0 ;
27679   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27680   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27681     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_SetVector" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
27682    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); arg2 = static_cast< double >(REAL(x)[0]);
27683   arg3 = static_cast< double >(REAL(y)[0]); arg4 = static_cast< double >(REAL(z)[0]); (*arg1)->SetVector(arg2,arg3,arg4);
27684   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_SetVector__SWIG_2(SEXP self)27685 SWIGEXPORT SEXP R_swig_OBMolAtomIter_SetVector__SWIG_2 ( SEXP self) {
27686   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27687   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27688   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27689     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_SetVector" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
27690    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); (*arg1)->SetVector(); r_ans = R_NilValue; vmaxset(r_vmax);
27691   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_SetCoordPtr(SEXP self,SEXP c)27692 SWIGEXPORT SEXP R_swig_OBMolAtomIter_SetCoordPtr ( SEXP self, SEXP c) {
27693   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; double **arg2 = (double **) 0 ; void *argp1 = 0 ;
27694   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
27695   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 );
27696   if (!SWIG_IsOK(res1)) {
27697     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_SetCoordPtr" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
27698    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1);
27699   res2 = SWIG_R_ConvertPtr(c, &argp2, SWIGTYPE_p_p_double, 0 |  0 ); if (!SWIG_IsOK(res2)) {
27700     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_SetCoordPtr" "', argument " "2"" of type '" "double **""'");  }
27701    arg2 = reinterpret_cast< double ** >(argp2); (*arg1)->SetCoordPtr(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
27702   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_SetResidue(SEXP self,SEXP res)27703 SWIGEXPORT SEXP R_swig_OBMolAtomIter_SetResidue ( SEXP self, SEXP res) {
27704   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; OpenBabel::OBResidue *arg2 = (OpenBabel::OBResidue *) 0 ;
27705   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
27706   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 );
27707   if (!SWIG_IsOK(res1)) {
27708     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_SetResidue" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
27709    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1);
27710   res2 = SWIG_R_ConvertPtr(res, &argp2, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 ); if (!SWIG_IsOK(res2)) {
27711     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_SetResidue" "', argument " "2"" of type '" "OpenBabel::OBResidue *""'");  }
27712    arg2 = reinterpret_cast< OpenBabel::OBResidue * >(argp2); (*arg1)->SetResidue(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
27713   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_SetParent(SEXP self,SEXP ptr)27714 SWIGEXPORT SEXP R_swig_OBMolAtomIter_SetParent ( SEXP self, SEXP ptr) {
27715   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ;
27716   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
27717   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 );
27718   if (!SWIG_IsOK(res1)) {
27719     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_SetParent" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
27720    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1);
27721   res2 = SWIG_R_ConvertPtr(ptr, &argp2, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res2)) {
27722     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_SetParent" "', argument " "2"" of type '" "OpenBabel::OBMol *""'");  }
27723    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); (*arg1)->SetParent(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
27724   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_SetAromatic(SEXP self)27725 SWIGEXPORT SEXP R_swig_OBMolAtomIter_SetAromatic ( SEXP self) {
27726   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27727   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27728   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27729     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_SetAromatic" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
27730    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); (*arg1)->SetAromatic(); r_ans = R_NilValue; vmaxset(r_vmax);
27731   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_UnsetAromatic(SEXP self)27732 SWIGEXPORT SEXP R_swig_OBMolAtomIter_UnsetAromatic ( SEXP self) {
27733   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27734   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27735   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27736     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_UnsetAromatic" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
27737    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); (*arg1)->UnsetAromatic(); r_ans = R_NilValue; vmaxset(r_vmax);
27738   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_SetClockwiseStereo(SEXP self)27739 SWIGEXPORT SEXP R_swig_OBMolAtomIter_SetClockwiseStereo ( SEXP self) {
27740   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27741   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27742   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27743     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_SetClockwiseStereo" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
27744    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); (*arg1)->SetClockwiseStereo(); r_ans = R_NilValue;
27745   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_SetAntiClockwiseStereo(SEXP self)27746 SWIGEXPORT SEXP R_swig_OBMolAtomIter_SetAntiClockwiseStereo ( SEXP self) {
27747   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27748   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27749   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27750     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_SetAntiClockwiseStereo" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
27751    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); (*arg1)->SetAntiClockwiseStereo(); r_ans = R_NilValue;
27752   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_SetPositiveStereo(SEXP self)27753 SWIGEXPORT SEXP R_swig_OBMolAtomIter_SetPositiveStereo ( SEXP self) {
27754   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27755   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27756   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27757     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_SetPositiveStereo" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
27758    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); (*arg1)->SetPositiveStereo(); r_ans = R_NilValue;
27759   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_SetNegativeStereo(SEXP self)27760 SWIGEXPORT SEXP R_swig_OBMolAtomIter_SetNegativeStereo ( SEXP self) {
27761   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27762   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27763   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27764     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_SetNegativeStereo" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
27765    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); (*arg1)->SetNegativeStereo(); r_ans = R_NilValue;
27766   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_UnsetStereo(SEXP self)27767 SWIGEXPORT SEXP R_swig_OBMolAtomIter_UnsetStereo ( SEXP self) {
27768   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27769   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27770   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27771     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_UnsetStereo" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
27772    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); (*arg1)->UnsetStereo(); r_ans = R_NilValue; vmaxset(r_vmax);
27773   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_SetInRing(SEXP self)27774 SWIGEXPORT SEXP R_swig_OBMolAtomIter_SetInRing ( SEXP self) { OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ;
27775   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27776   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27777     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_SetInRing" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
27778    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); (*arg1)->SetInRing(); r_ans = R_NilValue; vmaxset(r_vmax);
27779   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_SetChiral(SEXP self)27780 SWIGEXPORT SEXP R_swig_OBMolAtomIter_SetChiral ( SEXP self) { OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ;
27781   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27782   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27783     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_SetChiral" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
27784    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); (*arg1)->SetChiral(); r_ans = R_NilValue; vmaxset(r_vmax);
27785   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_ClearCoordPtr(SEXP self)27786 SWIGEXPORT SEXP R_swig_OBMolAtomIter_ClearCoordPtr ( SEXP self) {
27787   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27788   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27789   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27790     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_ClearCoordPtr" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
27791    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); (*arg1)->ClearCoordPtr(); r_ans = R_NilValue; vmaxset(r_vmax);
27792   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_GetFormalCharge(SEXP self,SEXP s_swig_copy)27793 SWIGEXPORT SEXP R_swig_OBMolAtomIter_GetFormalCharge ( SEXP self, SEXP s_swig_copy) { int result;
27794   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27795   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27796   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27797     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetFormalCharge" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const *""'");  }
27798    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (int)(*arg1)->GetFormalCharge();
27799   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_GetAtomicNum(SEXP self,SEXP s_swig_copy)27800 SWIGEXPORT SEXP R_swig_OBMolAtomIter_GetAtomicNum ( SEXP self, SEXP s_swig_copy) { unsigned int result;
27801   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27802   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27803   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27804     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetAtomicNum" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const *""'");  }
27805    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (unsigned int)(*arg1)->GetAtomicNum();
27806   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_GetIsotope(SEXP self,SEXP s_swig_copy)27807 SWIGEXPORT SEXP R_swig_OBMolAtomIter_GetIsotope ( SEXP self, SEXP s_swig_copy) { unsigned short result;
27808   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27809   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27810   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27811     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetIsotope" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const *""'");  }
27812    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (unsigned short)(*arg1)->GetIsotope();
27813   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_GetSpinMultiplicity(SEXP self,SEXP s_swig_copy)27814 SWIGEXPORT SEXP R_swig_OBMolAtomIter_GetSpinMultiplicity ( SEXP self, SEXP s_swig_copy) { int result;
27815   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27816   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27817   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27818     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetSpinMultiplicity" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const *""'");  }
27819    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (int)(*arg1)->GetSpinMultiplicity();
27820   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_GetAtomicMass(SEXP self,SEXP s_swig_copy)27821 SWIGEXPORT SEXP R_swig_OBMolAtomIter_GetAtomicMass ( SEXP self, SEXP s_swig_copy) { double result;
27822   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27823   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27824   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27825     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetAtomicMass" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const *""'");  }
27826    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (double)(*arg1)->GetAtomicMass();
27827   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
27828   return r_ans; }
R_swig_OBMolAtomIter_GetExactMass(SEXP self,SEXP s_swig_copy)27829 SWIGEXPORT SEXP R_swig_OBMolAtomIter_GetExactMass ( SEXP self, SEXP s_swig_copy) { double result;
27830   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27831   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27832   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27833     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetExactMass" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const *""'");  }
27834    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (double)(*arg1)->GetExactMass();
27835   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
27836   return r_ans; }
R_swig_OBMolAtomIter_GetIdx(SEXP self,SEXP s_swig_copy)27837 SWIGEXPORT SEXP R_swig_OBMolAtomIter_GetIdx ( SEXP self, SEXP s_swig_copy) { unsigned int result;
27838   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27839   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27840   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27841     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetIdx" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const *""'");  }
27842    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (unsigned int)(*arg1)->GetIdx();
27843   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_GetIndex(SEXP self,SEXP s_swig_copy)27844 SWIGEXPORT SEXP R_swig_OBMolAtomIter_GetIndex ( SEXP self, SEXP s_swig_copy) { unsigned int result;
27845   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27846   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27847   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27848     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetIndex" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const *""'");  }
27849    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (unsigned int)(*arg1)->GetIndex();
27850   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_GetId(SEXP self,SEXP s_swig_copy)27851 SWIGEXPORT SEXP R_swig_OBMolAtomIter_GetId ( SEXP self, SEXP s_swig_copy) { unsigned long result;
27852   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27853   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27854   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27855     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetId" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const *""'");  }
27856    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (unsigned long)(*arg1)->GetId();
27857   r_ans = SWIG_From_long(static_cast< long >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_GetCoordinateIdx(SEXP self,SEXP s_swig_copy)27858 SWIGEXPORT SEXP R_swig_OBMolAtomIter_GetCoordinateIdx ( SEXP self, SEXP s_swig_copy) { unsigned int result;
27859   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27860   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27861   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27862     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetCoordinateIdx" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const *""'");  }
27863    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (unsigned int)(*arg1)->GetCoordinateIdx();
27864   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_GetCIdx(SEXP self,SEXP s_swig_copy)27865 SWIGEXPORT SEXP R_swig_OBMolAtomIter_GetCIdx ( SEXP self, SEXP s_swig_copy) { unsigned int result;
27866   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27867   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27868   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27869     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetCIdx" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const *""'");  }
27870    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (unsigned int)(*arg1)->GetCIdx();
27871   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_GetValence(SEXP self,SEXP s_swig_copy)27872 SWIGEXPORT SEXP R_swig_OBMolAtomIter_GetValence ( SEXP self, SEXP s_swig_copy) { unsigned int result;
27873   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27874   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27875   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27876     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetValence" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const *""'");  }
27877    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (unsigned int)(*arg1)->GetValence();
27878   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_GetHyb(SEXP self,SEXP s_swig_copy)27879 SWIGEXPORT SEXP R_swig_OBMolAtomIter_GetHyb ( SEXP self, SEXP s_swig_copy) { unsigned int result;
27880   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27881   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27882   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27883     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetHyb" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const *""'");  }
27884    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (unsigned int)(*arg1)->GetHyb();
27885   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_GetImplicitValence(SEXP self,SEXP s_swig_copy)27886 SWIGEXPORT SEXP R_swig_OBMolAtomIter_GetImplicitValence ( SEXP self, SEXP s_swig_copy) { unsigned int result;
27887   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27888   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27889   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27890     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetImplicitValence" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const *""'");  }
27891    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (unsigned int)(*arg1)->GetImplicitValence();
27892   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_GetHvyValence(SEXP self,SEXP s_swig_copy)27893 SWIGEXPORT SEXP R_swig_OBMolAtomIter_GetHvyValence ( SEXP self, SEXP s_swig_copy) { unsigned int result;
27894   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27895   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27896   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27897     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetHvyValence" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const *""'");  }
27898    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (unsigned int)(*arg1)->GetHvyValence();
27899   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_GetHeteroValence(SEXP self,SEXP s_swig_copy)27900 SWIGEXPORT SEXP R_swig_OBMolAtomIter_GetHeteroValence ( SEXP self, SEXP s_swig_copy) { unsigned int result;
27901   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27902   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27903   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27904     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetHeteroValence" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const *""'");  }
27905    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (unsigned int)(*arg1)->GetHeteroValence();
27906   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_GetType(SEXP self)27907 SWIGEXPORT SEXP R_swig_OBMolAtomIter_GetType ( SEXP self) { char *result = 0 ;
27908   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27909   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27910   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27911     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetType" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
27912    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (char *)(*arg1)->GetType();
27913   r_ans = result ? Rf_mkString(reinterpret_cast< char * >(result)) : R_NilValue; vmaxset(r_vmax);
27914   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_GetX(SEXP self,SEXP s_swig_copy)27915 SWIGEXPORT SEXP R_swig_OBMolAtomIter_GetX ( SEXP self, SEXP s_swig_copy) { double result;
27916   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27917   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27918   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27919     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetX" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const *""'");  }
27920    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (double)(*arg1)->GetX();
27921   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
27922   return r_ans; }
R_swig_OBMolAtomIter_GetY(SEXP self,SEXP s_swig_copy)27923 SWIGEXPORT SEXP R_swig_OBMolAtomIter_GetY ( SEXP self, SEXP s_swig_copy) { double result;
27924   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27925   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27926   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27927     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetY" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const *""'");  }
27928    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (double)(*arg1)->GetY();
27929   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
27930   return r_ans; }
R_swig_OBMolAtomIter_GetZ(SEXP self,SEXP s_swig_copy)27931 SWIGEXPORT SEXP R_swig_OBMolAtomIter_GetZ ( SEXP self, SEXP s_swig_copy) { double result;
27932   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27933   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27934   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27935     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetZ" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const *""'");  }
27936    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (double)(*arg1)->GetZ();
27937   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
27938   return r_ans; }
R_swig_OBMolAtomIter_x(SEXP self,SEXP s_swig_copy)27939 SWIGEXPORT SEXP R_swig_OBMolAtomIter_x ( SEXP self, SEXP s_swig_copy) { double result;
27940   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27941   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27942   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27943     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_x" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const *""'");  }
27944    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (double)(*arg1)->x();
27945   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
27946   return r_ans; }
R_swig_OBMolAtomIter_y(SEXP self,SEXP s_swig_copy)27947 SWIGEXPORT SEXP R_swig_OBMolAtomIter_y ( SEXP self, SEXP s_swig_copy) { double result;
27948   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27949   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27950   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27951     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_y" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const *""'");  }
27952    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (double)(*arg1)->y();
27953   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
27954   return r_ans; }
R_swig_OBMolAtomIter_z(SEXP self,SEXP s_swig_copy)27955 SWIGEXPORT SEXP R_swig_OBMolAtomIter_z ( SEXP self, SEXP s_swig_copy) { double result;
27956   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27957   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27958   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27959     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_z" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const *""'");  }
27960    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (double)(*arg1)->z();
27961   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
27962   return r_ans; }
R_swig_OBMolAtomIter_GetCoordinate(SEXP self)27963 SWIGEXPORT SEXP R_swig_OBMolAtomIter_GetCoordinate ( SEXP self) { double *result = 0 ;
27964   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27965   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27966   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27967     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetCoordinate" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
27968    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (double *)(*arg1)->GetCoordinate();
27969   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_double, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
27970   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_GetVector(SEXP self,SEXP s_swig_copy)27971 SWIGEXPORT SEXP R_swig_OBMolAtomIter_GetVector ( SEXP self, SEXP s_swig_copy) { OpenBabel::vector3 *result = 0 ;
27972   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27973   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27974   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27975     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetVector" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
27976    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (OpenBabel::vector3 *) &(*arg1)->GetVector();
27977   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__vector3, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
27978   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_GetPartialCharge(SEXP self,SEXP s_swig_copy)27979 SWIGEXPORT SEXP R_swig_OBMolAtomIter_GetPartialCharge ( SEXP self, SEXP s_swig_copy) { double result;
27980   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27981   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27982   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27983     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetPartialCharge" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
27984    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (double)(*arg1)->GetPartialCharge();
27985   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
27986   return r_ans; }
R_swig_OBMolAtomIter_GetResidue__SWIG_0(SEXP self)27987 SWIGEXPORT SEXP R_swig_OBMolAtomIter_GetResidue__SWIG_0 ( SEXP self) { OpenBabel::OBResidue *result = 0 ;
27988   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
27989   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27990   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27991     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetResidue" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
27992    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (OpenBabel::OBResidue *)(*arg1)->GetResidue();
27993   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBResidue, R_SWIG_EXTERNAL |  0 );
27994   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_GetResidue__SWIG_1(SEXP self,SEXP perception)27995 SWIGEXPORT SEXP R_swig_OBMolAtomIter_GetResidue__SWIG_1 ( SEXP self, SEXP perception) { OpenBabel::OBResidue *result = 0 ;
27996   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
27997   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
27998   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
27999     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetResidue" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28000    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); arg2 = LOGICAL(perception)[0] ? true : false;
28001   result = (OpenBabel::OBResidue *)(*arg1)->GetResidue(arg2);
28002   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBResidue, R_SWIG_EXTERNAL |  0 );
28003   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_GetParent(SEXP self)28004 SWIGEXPORT SEXP R_swig_OBMolAtomIter_GetParent ( SEXP self) { OpenBabel::OBMol *result = 0 ;
28005   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28006   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28007   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28008     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetParent" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28009    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (OpenBabel::OBMol *)(*arg1)->GetParent();
28010   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMol, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
28011   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_GetNewBondVector(SEXP self,SEXP v,SEXP length,SEXP s_swig_copy)28012 SWIGEXPORT SEXP R_swig_OBMolAtomIter_GetNewBondVector ( SEXP self, SEXP v, SEXP length, SEXP s_swig_copy) { bool result;
28013   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; OpenBabel::vector3 *arg2 = 0 ; double arg3 ;
28014   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
28015   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 );
28016   if (!SWIG_IsOK(res1)) {
28017     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetNewBondVector" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28018    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1);
28019   res2 = SWIG_R_ConvertPtr(v, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
28020     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_GetNewBondVector" "', argument " "2"" of type '" "OpenBabel::vector3 &""'");  }
28021    if (!argp2) {
28022     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomIter_GetNewBondVector" "', argument " "2"" of type '" "OpenBabel::vector3 &""'"); }
28023    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2); arg3 = static_cast< double >(REAL(length)[0]);
28024   result = (bool)(*arg1)->GetNewBondVector(*arg2,arg3); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
28025   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_GetBond(SEXP self,SEXP s_arg2)28026 SWIGEXPORT SEXP R_swig_OBMolAtomIter_GetBond ( SEXP self, SEXP s_arg2) { OpenBabel::OBBond *result = 0 ;
28027   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
28028   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
28029   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 );
28030   if (!SWIG_IsOK(res1)) {
28031     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28032    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1);
28033   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
28034     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_GetBond" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
28035    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (OpenBabel::OBBond *)(*arg1)->GetBond(arg2);
28036   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
28037   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_GetNextAtom(SEXP self)28038 SWIGEXPORT SEXP R_swig_OBMolAtomIter_GetNextAtom ( SEXP self) { OpenBabel::OBAtom *result = 0 ;
28039   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28040   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28041   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28042     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetNextAtom" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28043    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (OpenBabel::OBAtom *)(*arg1)->GetNextAtom();
28044   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
28045   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_BeginBonds(SEXP self,SEXP s_swig_copy)28046 SWIGEXPORT SEXP R_swig_OBMolAtomIter_BeginBonds ( SEXP self, SEXP s_swig_copy) {
28047   SwigValueWrapper< std::vector< OpenBabel::OBBond *,std::allocator< OpenBabel::OBBond * > >::iterator > result;
28048   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28049   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28050   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28051     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_BeginBonds" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28052    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (*arg1)->BeginBonds();
28053   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBBondIterator(static_cast< const OpenBabel::OBBondIterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
28054   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_EndBonds(SEXP self,SEXP s_swig_copy)28055 SWIGEXPORT SEXP R_swig_OBMolAtomIter_EndBonds ( SEXP self, SEXP s_swig_copy) {
28056   SwigValueWrapper< std::vector< OpenBabel::OBBond *,std::allocator< OpenBabel::OBBond * > >::iterator > result;
28057   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28058   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28059   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28060     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_EndBonds" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28061    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (*arg1)->EndBonds();
28062   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBBondIterator(static_cast< const OpenBabel::OBBondIterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
28063   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_BeginBond(SEXP self,SEXP i)28064 SWIGEXPORT SEXP R_swig_OBMolAtomIter_BeginBond ( SEXP self, SEXP i) { OpenBabel::OBBond *result = 0 ;
28065   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; OpenBabel::OBBondIterator *arg2 = 0 ; void *argp1 = 0 ;
28066   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
28067   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 );
28068   if (!SWIG_IsOK(res1)) {
28069     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_BeginBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28070    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1);
28071   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator,  0 );
28072   if (!SWIG_IsOK(res2)) {
28073     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_BeginBond" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'");  }
28074    if (!argp2) {
28075     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomIter_BeginBond" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'"); }
28076    arg2 = reinterpret_cast< OpenBabel::OBBondIterator * >(argp2); result = (OpenBabel::OBBond *)(*arg1)->BeginBond(*arg2);
28077   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
28078   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_NextBond(SEXP self,SEXP i)28079 SWIGEXPORT SEXP R_swig_OBMolAtomIter_NextBond ( SEXP self, SEXP i) { OpenBabel::OBBond *result = 0 ;
28080   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; OpenBabel::OBBondIterator *arg2 = 0 ; void *argp1 = 0 ;
28081   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
28082   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 );
28083   if (!SWIG_IsOK(res1)) {
28084     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_NextBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28085    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1);
28086   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator,  0 );
28087   if (!SWIG_IsOK(res2)) {
28088     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_NextBond" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'");  }
28089    if (!argp2) {
28090     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomIter_NextBond" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'"); }
28091    arg2 = reinterpret_cast< OpenBabel::OBBondIterator * >(argp2); result = (OpenBabel::OBBond *)(*arg1)->NextBond(*arg2);
28092   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
28093   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_BeginNbrAtom(SEXP self,SEXP i)28094 SWIGEXPORT SEXP R_swig_OBMolAtomIter_BeginNbrAtom ( SEXP self, SEXP i) { OpenBabel::OBAtom *result = 0 ;
28095   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; OpenBabel::OBBondIterator *arg2 = 0 ; void *argp1 = 0 ;
28096   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
28097   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 );
28098   if (!SWIG_IsOK(res1)) {
28099     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_BeginNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28100    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1);
28101   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator,  0 );
28102   if (!SWIG_IsOK(res2)) {
28103     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_BeginNbrAtom" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'");  }
28104    if (!argp2) {
28105     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomIter_BeginNbrAtom" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'"); }
28106    arg2 = reinterpret_cast< OpenBabel::OBBondIterator * >(argp2); result = (OpenBabel::OBAtom *)(*arg1)->BeginNbrAtom(*arg2);
28107   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
28108   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_NextNbrAtom(SEXP self,SEXP i)28109 SWIGEXPORT SEXP R_swig_OBMolAtomIter_NextNbrAtom ( SEXP self, SEXP i) { OpenBabel::OBAtom *result = 0 ;
28110   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; OpenBabel::OBBondIterator *arg2 = 0 ; void *argp1 = 0 ;
28111   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
28112   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 );
28113   if (!SWIG_IsOK(res1)) {
28114     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_NextNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28115    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1);
28116   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator,  0 );
28117   if (!SWIG_IsOK(res2)) {
28118     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_NextNbrAtom" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'");  }
28119    if (!argp2) {
28120     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomIter_NextNbrAtom" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'"); }
28121    arg2 = reinterpret_cast< OpenBabel::OBBondIterator * >(argp2); result = (OpenBabel::OBAtom *)(*arg1)->NextNbrAtom(*arg2);
28122   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
28123   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_GetDistance__SWIG_0(SEXP self,SEXP index,SEXP s_swig_copy)28124 SWIGEXPORT SEXP R_swig_OBMolAtomIter_GetDistance__SWIG_0 ( SEXP self, SEXP index, SEXP s_swig_copy) { double result;
28125   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
28126   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28127   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28128     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetDistance" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28129    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); arg2 = static_cast< int >(INTEGER(index)[0]);
28130   result = (double)(*arg1)->GetDistance(arg2); r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax);
28131   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_GetDistance__SWIG_1(SEXP self,SEXP s_arg2,SEXP s_swig_copy)28132 SWIGEXPORT SEXP R_swig_OBMolAtomIter_GetDistance__SWIG_1 ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { double result;
28133   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
28134   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
28135   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 );
28136   if (!SWIG_IsOK(res1)) {
28137     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetDistance" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28138    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1);
28139   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
28140     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_GetDistance" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
28141    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (double)(*arg1)->GetDistance(arg2);
28142   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
28143   return r_ans; }
R_swig_OBMolAtomIter_GetDistance__SWIG_2(SEXP self,SEXP v,SEXP s_swig_copy)28144 SWIGEXPORT SEXP R_swig_OBMolAtomIter_GetDistance__SWIG_2 ( SEXP self, SEXP v, SEXP s_swig_copy) { double result;
28145   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; OpenBabel::vector3 *arg2 = (OpenBabel::vector3 *) 0 ;
28146   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
28147   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 );
28148   if (!SWIG_IsOK(res1)) {
28149     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetDistance" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28150    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1);
28151   res2 = SWIG_R_ConvertPtr(v, &argp2, SWIGTYPE_p_OpenBabel__vector3, 0 |  0 ); if (!SWIG_IsOK(res2)) {
28152     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_GetDistance" "', argument " "2"" of type '" "OpenBabel::vector3 *""'");  }
28153    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2); result = (double)(*arg1)->GetDistance(arg2);
28154   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
28155   return r_ans; }
R_swig_OBMolAtomIter_GetAngle__SWIG_0(SEXP self,SEXP b,SEXP c,SEXP s_swig_copy)28156 SWIGEXPORT SEXP R_swig_OBMolAtomIter_GetAngle__SWIG_0 ( SEXP self, SEXP b, SEXP c, SEXP s_swig_copy) { double result;
28157   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; int arg2 ; int arg3 ; void *argp1 = 0 ; int res1 = 0 ;
28158   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28159   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28160     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetAngle" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28161    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); arg2 = static_cast< int >(INTEGER(b)[0]);
28162   arg3 = static_cast< int >(INTEGER(c)[0]); result = (double)(*arg1)->GetAngle(arg2,arg3);
28163   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
28164   return r_ans; }
R_swig_OBMolAtomIter_GetAngle__SWIG_1(SEXP self,SEXP b,SEXP c,SEXP s_swig_copy)28165 SWIGEXPORT SEXP R_swig_OBMolAtomIter_GetAngle__SWIG_1 ( SEXP self, SEXP b, SEXP c, SEXP s_swig_copy) { double result;
28166   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
28167   OpenBabel::OBAtom *arg3 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
28168   void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28169   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28170     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetAngle" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28171    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1);
28172   res2 = SWIG_R_ConvertPtr(b, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
28173     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_GetAngle" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
28174    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2);
28175   res3 = SWIG_R_ConvertPtr(c, &argp3, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res3)) {
28176     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBMolAtomIter_GetAngle" "', argument " "3"" of type '" "OpenBabel::OBAtom *""'");  }
28177    arg3 = reinterpret_cast< OpenBabel::OBAtom * >(argp3); result = (double)(*arg1)->GetAngle(arg2,arg3);
28178   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
28179   return r_ans; }
R_swig_OBMolAtomIter_NewResidue(SEXP self)28180 SWIGEXPORT SEXP R_swig_OBMolAtomIter_NewResidue ( SEXP self) { OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ;
28181   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28182   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28183     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_NewResidue" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28184    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); (*arg1)->NewResidue(); r_ans = R_NilValue; vmaxset(r_vmax);
28185   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_AddResidue(SEXP self,SEXP res)28186 SWIGEXPORT SEXP R_swig_OBMolAtomIter_AddResidue ( SEXP self, SEXP res) {
28187   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; OpenBabel::OBResidue *arg2 = (OpenBabel::OBResidue *) 0 ;
28188   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
28189   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 );
28190   if (!SWIG_IsOK(res1)) {
28191     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_AddResidue" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28192    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1);
28193   res2 = SWIG_R_ConvertPtr(res, &argp2, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 ); if (!SWIG_IsOK(res2)) {
28194     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_AddResidue" "', argument " "2"" of type '" "OpenBabel::OBResidue *""'");  }
28195    arg2 = reinterpret_cast< OpenBabel::OBResidue * >(argp2); (*arg1)->AddResidue(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
28196   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_DeleteResidue(SEXP self)28197 SWIGEXPORT SEXP R_swig_OBMolAtomIter_DeleteResidue ( SEXP self) {
28198   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28199   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28200   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28201     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_DeleteResidue" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28202    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); (*arg1)->DeleteResidue(); r_ans = R_NilValue; vmaxset(r_vmax);
28203   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_AddBond(SEXP self,SEXP bond)28204 SWIGEXPORT SEXP R_swig_OBMolAtomIter_AddBond ( SEXP self, SEXP bond) {
28205   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; OpenBabel::OBBond *arg2 = (OpenBabel::OBBond *) 0 ;
28206   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
28207   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 );
28208   if (!SWIG_IsOK(res1)) {
28209     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_AddBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28210    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1);
28211   res2 = SWIG_R_ConvertPtr(bond, &argp2, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res2)) {
28212     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_AddBond" "', argument " "2"" of type '" "OpenBabel::OBBond *""'");  }
28213    arg2 = reinterpret_cast< OpenBabel::OBBond * >(argp2); (*arg1)->AddBond(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
28214   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_InsertBond(SEXP self,SEXP i,SEXP bond)28215 SWIGEXPORT SEXP R_swig_OBMolAtomIter_InsertBond ( SEXP self, SEXP i, SEXP bond) {
28216   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; OpenBabel::OBBondIterator *arg2 = 0 ;
28217   OpenBabel::OBBond *arg3 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
28218   void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28219   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28220     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_InsertBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28221    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1);
28222   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator,  0 );
28223   if (!SWIG_IsOK(res2)) {
28224     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_InsertBond" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'");  }
28225    if (!argp2) {
28226     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomIter_InsertBond" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'"); }
28227    arg2 = reinterpret_cast< OpenBabel::OBBondIterator * >(argp2);
28228   res3 = SWIG_R_ConvertPtr(bond, &argp3, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res3)) {
28229     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBMolAtomIter_InsertBond" "', argument " "3"" of type '" "OpenBabel::OBBond *""'");  }
28230    arg3 = reinterpret_cast< OpenBabel::OBBond * >(argp3); (*arg1)->InsertBond(*arg2,arg3); r_ans = R_NilValue; vmaxset(r_vmax);
28231   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_DeleteBond(SEXP self,SEXP bond,SEXP s_swig_copy)28232 SWIGEXPORT SEXP R_swig_OBMolAtomIter_DeleteBond ( SEXP self, SEXP bond, SEXP s_swig_copy) { bool result;
28233   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; OpenBabel::OBBond *arg2 = (OpenBabel::OBBond *) 0 ;
28234   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
28235   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 );
28236   if (!SWIG_IsOK(res1)) {
28237     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_DeleteBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28238    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1);
28239   res2 = SWIG_R_ConvertPtr(bond, &argp2, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res2)) {
28240     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_DeleteBond" "', argument " "2"" of type '" "OpenBabel::OBBond *""'");  }
28241    arg2 = reinterpret_cast< OpenBabel::OBBond * >(argp2); result = (bool)(*arg1)->DeleteBond(arg2);
28242   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_ClearBond(SEXP self)28243 SWIGEXPORT SEXP R_swig_OBMolAtomIter_ClearBond ( SEXP self) { OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ;
28244   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28245   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28246     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_ClearBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28247    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); (*arg1)->ClearBond(); r_ans = R_NilValue; vmaxset(r_vmax);
28248   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_HtoMethyl(SEXP self,SEXP s_swig_copy)28249 SWIGEXPORT SEXP R_swig_OBMolAtomIter_HtoMethyl ( SEXP self, SEXP s_swig_copy) { bool result;
28250   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28251   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28252   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28253     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_HtoMethyl" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28254    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (bool)(*arg1)->HtoMethyl();
28255   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_SetHybAndGeom(SEXP self,SEXP s_arg2,SEXP s_swig_copy)28256 SWIGEXPORT SEXP R_swig_OBMolAtomIter_SetHybAndGeom ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
28257   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
28258   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28259   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28260     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_SetHybAndGeom" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28261    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
28262   result = (bool)(*arg1)->SetHybAndGeom(arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
28263   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_ForceNoH(SEXP self)28264 SWIGEXPORT SEXP R_swig_OBMolAtomIter_ForceNoH ( SEXP self) { OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ;
28265   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28266   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28267     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_ForceNoH" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28268    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); (*arg1)->ForceNoH(); r_ans = R_NilValue; vmaxset(r_vmax);
28269   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_HasNoHForced(SEXP self,SEXP s_swig_copy)28270 SWIGEXPORT SEXP R_swig_OBMolAtomIter_HasNoHForced ( SEXP self, SEXP s_swig_copy) { bool result;
28271   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28272   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28273   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28274     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_HasNoHForced" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28275    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (bool)(*arg1)->HasNoHForced();
28276   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_ForceImplH(SEXP self)28277 SWIGEXPORT SEXP R_swig_OBMolAtomIter_ForceImplH ( SEXP self) { OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ;
28278   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28279   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28280     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_ForceImplH" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28281    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); (*arg1)->ForceImplH(); r_ans = R_NilValue; vmaxset(r_vmax);
28282   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_HasImplHForced(SEXP self,SEXP s_swig_copy)28283 SWIGEXPORT SEXP R_swig_OBMolAtomIter_HasImplHForced ( SEXP self, SEXP s_swig_copy) { bool result;
28284   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28285   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28286   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28287     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_HasImplHForced" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28288    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (bool)(*arg1)->HasImplHForced();
28289   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_CountFreeOxygens(SEXP self,SEXP s_swig_copy)28290 SWIGEXPORT SEXP R_swig_OBMolAtomIter_CountFreeOxygens ( SEXP self, SEXP s_swig_copy) { unsigned int result;
28291   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28292   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28293   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28294     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_CountFreeOxygens" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const *""'");  }
28295    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (unsigned int)(*arg1)->CountFreeOxygens();
28296   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_CountFreeSulfurs(SEXP self,SEXP s_swig_copy)28297 SWIGEXPORT SEXP R_swig_OBMolAtomIter_CountFreeSulfurs ( SEXP self, SEXP s_swig_copy) { unsigned int result;
28298   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28299   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28300   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28301     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_CountFreeSulfurs" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const *""'");  }
28302    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (unsigned int)(*arg1)->CountFreeSulfurs();
28303   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_ImplicitHydrogenCount(SEXP self,SEXP s_swig_copy)28304 SWIGEXPORT SEXP R_swig_OBMolAtomIter_ImplicitHydrogenCount ( SEXP self, SEXP s_swig_copy) { unsigned int result;
28305   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28306   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28307   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28308     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_ImplicitHydrogenCount" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const *""'");  }
28309    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (unsigned int)(*arg1)->ImplicitHydrogenCount();
28310   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_ExplicitHydrogenCount__SWIG_0(SEXP self,SEXP ExcludeIsotopes,SEXP s_swig_copy)28311 SWIGEXPORT SEXP R_swig_OBMolAtomIter_ExplicitHydrogenCount__SWIG_0 ( SEXP self, SEXP ExcludeIsotopes, SEXP s_swig_copy) {
28312   unsigned int result; OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; bool arg2 ; void *argp1 = 0 ;
28313   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28314   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28315     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_ExplicitHydrogenCount" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const *""'");  }
28316    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); arg2 = LOGICAL(ExcludeIsotopes)[0] ? true : false;
28317   result = (unsigned int)(*arg1)->ExplicitHydrogenCount(arg2); r_ans = SWIG_From_int(static_cast< int >(result));
28318   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_ExplicitHydrogenCount__SWIG_1(SEXP self,SEXP s_swig_copy)28319 SWIGEXPORT SEXP R_swig_OBMolAtomIter_ExplicitHydrogenCount__SWIG_1 ( SEXP self, SEXP s_swig_copy) { unsigned int result;
28320   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28321   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28322   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28323     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_ExplicitHydrogenCount" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const *""'");  }
28324    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (unsigned int)(*arg1)->ExplicitHydrogenCount();
28325   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_MemberOfRingCount(SEXP self,SEXP s_swig_copy)28326 SWIGEXPORT SEXP R_swig_OBMolAtomIter_MemberOfRingCount ( SEXP self, SEXP s_swig_copy) { unsigned int result;
28327   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28328   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28329   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28330     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_MemberOfRingCount" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const *""'");  }
28331    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (unsigned int)(*arg1)->MemberOfRingCount();
28332   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_MemberOfRingSize(SEXP self,SEXP s_swig_copy)28333 SWIGEXPORT SEXP R_swig_OBMolAtomIter_MemberOfRingSize ( SEXP self, SEXP s_swig_copy) { unsigned int result;
28334   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28335   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28336   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28337     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_MemberOfRingSize" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const *""'");  }
28338    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (unsigned int)(*arg1)->MemberOfRingSize();
28339   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_CountRingBonds(SEXP self,SEXP s_swig_copy)28340 SWIGEXPORT SEXP R_swig_OBMolAtomIter_CountRingBonds ( SEXP self, SEXP s_swig_copy) { unsigned int result;
28341   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28342   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28343   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28344     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_CountRingBonds" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const *""'");  }
28345    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (unsigned int)(*arg1)->CountRingBonds();
28346   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_SmallestBondAngle(SEXP self,SEXP s_swig_copy)28347 SWIGEXPORT SEXP R_swig_OBMolAtomIter_SmallestBondAngle ( SEXP self, SEXP s_swig_copy) { double result;
28348   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28349   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28350   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28351     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_SmallestBondAngle" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28352    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (double)(*arg1)->SmallestBondAngle();
28353   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
28354   return r_ans; }
R_swig_OBMolAtomIter_AverageBondAngle(SEXP self,SEXP s_swig_copy)28355 SWIGEXPORT SEXP R_swig_OBMolAtomIter_AverageBondAngle ( SEXP self, SEXP s_swig_copy) { double result;
28356   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28357   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28358   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28359     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_AverageBondAngle" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28360    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (double)(*arg1)->AverageBondAngle();
28361   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
28362   return r_ans; }
R_swig_OBMolAtomIter_BOSum(SEXP self,SEXP s_swig_copy)28363 SWIGEXPORT SEXP R_swig_OBMolAtomIter_BOSum ( SEXP self, SEXP s_swig_copy) { unsigned int result;
28364   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28365   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28366   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28367     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_BOSum" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const *""'");  }
28368    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (unsigned int)(*arg1)->BOSum();
28369   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_KBOSum(SEXP self,SEXP s_swig_copy)28370 SWIGEXPORT SEXP R_swig_OBMolAtomIter_KBOSum ( SEXP self, SEXP s_swig_copy) { unsigned int result;
28371   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28372   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28373   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28374     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_KBOSum" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const *""'");  }
28375    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (unsigned int)(*arg1)->KBOSum();
28376   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_LewisAcidBaseCounts(SEXP self,SEXP s_swig_copy)28377 SWIGEXPORT SEXP R_swig_OBMolAtomIter_LewisAcidBaseCounts ( SEXP self, SEXP s_swig_copy) {
28378   SwigValueWrapper< std::pair< int,int > > result; OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ;
28379   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28380   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28381     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_LewisAcidBaseCounts" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const *""'");  }
28382    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (*arg1)->LewisAcidBaseCounts();
28383   r_ans = SWIG_R_NewPointerObj((new std::pair< int,int >(static_cast< const std::pair< int,int >& >(result))), SWIGTYPE_p_std__pairT_int_int_t, SWIG_POINTER_OWN |  0 );
28384   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_HasResidue(SEXP self,SEXP s_swig_copy)28385 SWIGEXPORT SEXP R_swig_OBMolAtomIter_HasResidue ( SEXP self, SEXP s_swig_copy) { bool result;
28386   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28387   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28388   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28389     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_HasResidue" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28390    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (bool)(*arg1)->HasResidue();
28391   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_IsCarbon(SEXP self,SEXP s_swig_copy)28392 SWIGEXPORT SEXP R_swig_OBMolAtomIter_IsCarbon ( SEXP self, SEXP s_swig_copy) { bool result;
28393   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28394   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28395   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28396     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_IsCarbon" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28397    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (bool)(*arg1)->IsCarbon();
28398   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_IsNitrogen(SEXP self,SEXP s_swig_copy)28399 SWIGEXPORT SEXP R_swig_OBMolAtomIter_IsNitrogen ( SEXP self, SEXP s_swig_copy) { bool result;
28400   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28401   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28402   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28403     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_IsNitrogen" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28404    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (bool)(*arg1)->IsNitrogen();
28405   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_IsOxygen(SEXP self,SEXP s_swig_copy)28406 SWIGEXPORT SEXP R_swig_OBMolAtomIter_IsOxygen ( SEXP self, SEXP s_swig_copy) { bool result;
28407   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28408   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28409   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28410     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_IsOxygen" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28411    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (bool)(*arg1)->IsOxygen();
28412   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_IsSulfur(SEXP self,SEXP s_swig_copy)28413 SWIGEXPORT SEXP R_swig_OBMolAtomIter_IsSulfur ( SEXP self, SEXP s_swig_copy) { bool result;
28414   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28415   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28416   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28417     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_IsSulfur" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28418    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (bool)(*arg1)->IsSulfur();
28419   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_IsPhosphorus(SEXP self,SEXP s_swig_copy)28420 SWIGEXPORT SEXP R_swig_OBMolAtomIter_IsPhosphorus ( SEXP self, SEXP s_swig_copy) { bool result;
28421   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28422   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28423   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28424     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_IsPhosphorus" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28425    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (bool)(*arg1)->IsPhosphorus();
28426   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_IsAromatic(SEXP self,SEXP s_swig_copy)28427 SWIGEXPORT SEXP R_swig_OBMolAtomIter_IsAromatic ( SEXP self, SEXP s_swig_copy) { bool result;
28428   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28429   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28430   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28431     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_IsAromatic" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const *""'");  }
28432    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (bool)(*arg1)->IsAromatic();
28433   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_IsInRing(SEXP self,SEXP s_swig_copy)28434 SWIGEXPORT SEXP R_swig_OBMolAtomIter_IsInRing ( SEXP self, SEXP s_swig_copy) { bool result;
28435   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28436   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28437   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28438     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_IsInRing" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const *""'");  }
28439    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (bool)(*arg1)->IsInRing();
28440   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_IsInRingSize(SEXP self,SEXP s_arg2,SEXP s_swig_copy)28441 SWIGEXPORT SEXP R_swig_OBMolAtomIter_IsInRingSize ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
28442   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
28443   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28444   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28445     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_IsInRingSize" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const *""'");  }
28446    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
28447   result = (bool)(*arg1)->IsInRingSize(arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
28448   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_IsHeteroatom(SEXP self,SEXP s_swig_copy)28449 SWIGEXPORT SEXP R_swig_OBMolAtomIter_IsHeteroatom ( SEXP self, SEXP s_swig_copy) { bool result;
28450   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28451   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28452   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28453     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_IsHeteroatom" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28454    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (bool)(*arg1)->IsHeteroatom();
28455   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_IsNotCorH(SEXP self,SEXP s_swig_copy)28456 SWIGEXPORT SEXP R_swig_OBMolAtomIter_IsNotCorH ( SEXP self, SEXP s_swig_copy) { bool result;
28457   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28458   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28459   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28460     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_IsNotCorH" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28461    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (bool)(*arg1)->IsNotCorH();
28462   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_IsConnected(SEXP self,SEXP s_arg2,SEXP s_swig_copy)28463 SWIGEXPORT SEXP R_swig_OBMolAtomIter_IsConnected ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
28464   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
28465   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
28466   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 );
28467   if (!SWIG_IsOK(res1)) {
28468     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_IsConnected" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28469    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1);
28470   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
28471     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_IsConnected" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
28472    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (bool)(*arg1)->IsConnected(arg2);
28473   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_IsOneThree(SEXP self,SEXP s_arg2,SEXP s_swig_copy)28474 SWIGEXPORT SEXP R_swig_OBMolAtomIter_IsOneThree ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
28475   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
28476   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
28477   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 );
28478   if (!SWIG_IsOK(res1)) {
28479     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_IsOneThree" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28480    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1);
28481   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
28482     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_IsOneThree" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
28483    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (bool)(*arg1)->IsOneThree(arg2);
28484   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_IsOneFour(SEXP self,SEXP s_arg2,SEXP s_swig_copy)28485 SWIGEXPORT SEXP R_swig_OBMolAtomIter_IsOneFour ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
28486   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
28487   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
28488   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 );
28489   if (!SWIG_IsOK(res1)) {
28490     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_IsOneFour" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28491    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1);
28492   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
28493     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_IsOneFour" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
28494    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (bool)(*arg1)->IsOneFour(arg2);
28495   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_IsCarboxylOxygen(SEXP self,SEXP s_swig_copy)28496 SWIGEXPORT SEXP R_swig_OBMolAtomIter_IsCarboxylOxygen ( SEXP self, SEXP s_swig_copy) { bool result;
28497   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28498   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28499   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28500     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_IsCarboxylOxygen" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28501    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (bool)(*arg1)->IsCarboxylOxygen();
28502   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_IsThiocarboxylSulfur(SEXP self,SEXP s_swig_copy)28503 SWIGEXPORT SEXP R_swig_OBMolAtomIter_IsThiocarboxylSulfur ( SEXP self, SEXP s_swig_copy) { bool result;
28504   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28505   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28506   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28507     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_IsThiocarboxylSulfur" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28508    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (bool)(*arg1)->IsThiocarboxylSulfur();
28509   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_IsPhosphateOxygen(SEXP self,SEXP s_swig_copy)28510 SWIGEXPORT SEXP R_swig_OBMolAtomIter_IsPhosphateOxygen ( SEXP self, SEXP s_swig_copy) { bool result;
28511   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28512   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28513   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28514     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_IsPhosphateOxygen" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28515    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (bool)(*arg1)->IsPhosphateOxygen();
28516   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_IsSulfateOxygen(SEXP self,SEXP s_swig_copy)28517 SWIGEXPORT SEXP R_swig_OBMolAtomIter_IsSulfateOxygen ( SEXP self, SEXP s_swig_copy) { bool result;
28518   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28519   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28520   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28521     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_IsSulfateOxygen" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28522    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (bool)(*arg1)->IsSulfateOxygen();
28523   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_IsNitroOxygen(SEXP self,SEXP s_swig_copy)28524 SWIGEXPORT SEXP R_swig_OBMolAtomIter_IsNitroOxygen ( SEXP self, SEXP s_swig_copy) { bool result;
28525   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28526   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28527   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28528     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_IsNitroOxygen" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28529    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (bool)(*arg1)->IsNitroOxygen();
28530   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_IsAmideNitrogen(SEXP self,SEXP s_swig_copy)28531 SWIGEXPORT SEXP R_swig_OBMolAtomIter_IsAmideNitrogen ( SEXP self, SEXP s_swig_copy) { bool result;
28532   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28533   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28534   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28535     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_IsAmideNitrogen" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28536    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (bool)(*arg1)->IsAmideNitrogen();
28537   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_IsPolarHydrogen(SEXP self,SEXP s_swig_copy)28538 SWIGEXPORT SEXP R_swig_OBMolAtomIter_IsPolarHydrogen ( SEXP self, SEXP s_swig_copy) { bool result;
28539   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28540   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28541   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28542     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_IsPolarHydrogen" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28543    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (bool)(*arg1)->IsPolarHydrogen();
28544   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_IsNonPolarHydrogen(SEXP self,SEXP s_swig_copy)28545 SWIGEXPORT SEXP R_swig_OBMolAtomIter_IsNonPolarHydrogen ( SEXP self, SEXP s_swig_copy) { bool result;
28546   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28547   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28548   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28549     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_IsNonPolarHydrogen" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28550    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (bool)(*arg1)->IsNonPolarHydrogen();
28551   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_IsAromaticNOxide(SEXP self,SEXP s_swig_copy)28552 SWIGEXPORT SEXP R_swig_OBMolAtomIter_IsAromaticNOxide ( SEXP self, SEXP s_swig_copy) { bool result;
28553   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28554   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28555   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28556     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_IsAromaticNOxide" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28557    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (bool)(*arg1)->IsAromaticNOxide();
28558   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_IsChiral(SEXP self,SEXP s_swig_copy)28559 SWIGEXPORT SEXP R_swig_OBMolAtomIter_IsChiral ( SEXP self, SEXP s_swig_copy) { bool result;
28560   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28561   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28562   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28563     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_IsChiral" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28564    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (bool)(*arg1)->IsChiral();
28565   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_IsAxial(SEXP self,SEXP s_swig_copy)28566 SWIGEXPORT SEXP R_swig_OBMolAtomIter_IsAxial ( SEXP self, SEXP s_swig_copy) { bool result;
28567   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28568   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28569   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28570     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_IsAxial" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28571    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (bool)(*arg1)->IsAxial();
28572   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_IsClockwise(SEXP self,SEXP s_swig_copy)28573 SWIGEXPORT SEXP R_swig_OBMolAtomIter_IsClockwise ( SEXP self, SEXP s_swig_copy) { bool result;
28574   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28575   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28576   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28577     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_IsClockwise" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28578    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (bool)(*arg1)->IsClockwise();
28579   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_IsAntiClockwise(SEXP self,SEXP s_swig_copy)28580 SWIGEXPORT SEXP R_swig_OBMolAtomIter_IsAntiClockwise ( SEXP self, SEXP s_swig_copy) { bool result;
28581   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28582   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28583   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28584     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_IsAntiClockwise" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28585    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (bool)(*arg1)->IsAntiClockwise();
28586   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_IsPositiveStereo(SEXP self,SEXP s_swig_copy)28587 SWIGEXPORT SEXP R_swig_OBMolAtomIter_IsPositiveStereo ( SEXP self, SEXP s_swig_copy) { bool result;
28588   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28589   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28590   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28591     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_IsPositiveStereo" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28592    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (bool)(*arg1)->IsPositiveStereo();
28593   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_IsNegativeStereo(SEXP self,SEXP s_swig_copy)28594 SWIGEXPORT SEXP R_swig_OBMolAtomIter_IsNegativeStereo ( SEXP self, SEXP s_swig_copy) { bool result;
28595   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28596   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28597   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28598     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_IsNegativeStereo" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28599    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (bool)(*arg1)->IsNegativeStereo();
28600   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_HasChiralitySpecified(SEXP self,SEXP s_swig_copy)28601 SWIGEXPORT SEXP R_swig_OBMolAtomIter_HasChiralitySpecified ( SEXP self, SEXP s_swig_copy) { bool result;
28602   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28603   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28604   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28605     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_HasChiralitySpecified" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28606    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (bool)(*arg1)->HasChiralitySpecified();
28607   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_HasChiralVolume(SEXP self,SEXP s_swig_copy)28608 SWIGEXPORT SEXP R_swig_OBMolAtomIter_HasChiralVolume ( SEXP self, SEXP s_swig_copy) { bool result;
28609   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28610   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28611   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28612     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_HasChiralVolume" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28613    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (bool)(*arg1)->HasChiralVolume();
28614   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_IsHbondAcceptor(SEXP self,SEXP s_swig_copy)28615 SWIGEXPORT SEXP R_swig_OBMolAtomIter_IsHbondAcceptor ( SEXP self, SEXP s_swig_copy) { bool result;
28616   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28617   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28618   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28619     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_IsHbondAcceptor" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28620    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (bool)(*arg1)->IsHbondAcceptor();
28621   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_IsHbondDonor(SEXP self,SEXP s_swig_copy)28622 SWIGEXPORT SEXP R_swig_OBMolAtomIter_IsHbondDonor ( SEXP self, SEXP s_swig_copy) { bool result;
28623   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28624   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28625   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28626     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_IsHbondDonor" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28627    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (bool)(*arg1)->IsHbondDonor();
28628   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_IsHbondDonorH(SEXP self,SEXP s_swig_copy)28629 SWIGEXPORT SEXP R_swig_OBMolAtomIter_IsHbondDonorH ( SEXP self, SEXP s_swig_copy) { bool result;
28630   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28631   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28632   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28633     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_IsHbondDonorH" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28634    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (bool)(*arg1)->IsHbondDonorH();
28635   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_IsMetal(SEXP self,SEXP s_swig_copy)28636 SWIGEXPORT SEXP R_swig_OBMolAtomIter_IsMetal ( SEXP self, SEXP s_swig_copy) { bool result;
28637   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28638   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28639   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28640     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_IsMetal" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28641    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (bool)(*arg1)->IsMetal();
28642   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_HasAlphaBetaUnsat__SWIG_0(SEXP self,SEXP includePandS,SEXP s_swig_copy)28643 SWIGEXPORT SEXP R_swig_OBMolAtomIter_HasAlphaBetaUnsat__SWIG_0 ( SEXP self, SEXP includePandS, SEXP s_swig_copy) { bool result;
28644   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
28645   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28646   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28647     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_HasAlphaBetaUnsat" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28648    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); arg2 = LOGICAL(includePandS)[0] ? true : false;
28649   result = (bool)(*arg1)->HasAlphaBetaUnsat(arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
28650   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_HasAlphaBetaUnsat__SWIG_1(SEXP self,SEXP s_swig_copy)28651 SWIGEXPORT SEXP R_swig_OBMolAtomIter_HasAlphaBetaUnsat__SWIG_1 ( SEXP self, SEXP s_swig_copy) { bool result;
28652   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28653   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28654   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28655     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_HasAlphaBetaUnsat" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28656    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (bool)(*arg1)->HasAlphaBetaUnsat();
28657   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_HasBondOfOrder(SEXP self,SEXP bo,SEXP s_swig_copy)28658 SWIGEXPORT SEXP R_swig_OBMolAtomIter_HasBondOfOrder ( SEXP self, SEXP bo, SEXP s_swig_copy) { bool result;
28659   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
28660   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28661   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28662     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_HasBondOfOrder" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28663    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); ecode2 = SWIG_AsVal_int(bo, &val2); if (!SWIG_IsOK(ecode2)) {
28664     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomIter_HasBondOfOrder" "', argument " "2"" of type '" "unsigned int""'"); }
28665     arg2 = static_cast< unsigned int >(val2); result = (bool)(*arg1)->HasBondOfOrder(arg2); r_ans = Rf_ScalarLogical(result);
28666   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_CountBondsOfOrder(SEXP self,SEXP bo,SEXP s_swig_copy)28667 SWIGEXPORT SEXP R_swig_OBMolAtomIter_CountBondsOfOrder ( SEXP self, SEXP bo, SEXP s_swig_copy) { int result;
28668   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
28669   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28670   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28671     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_CountBondsOfOrder" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28672    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); ecode2 = SWIG_AsVal_int(bo, &val2); if (!SWIG_IsOK(ecode2)) {
28673     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomIter_CountBondsOfOrder" "', argument " "2"" of type '" "unsigned int""'"); }
28674     arg2 = static_cast< unsigned int >(val2); result = (int)(*arg1)->CountBondsOfOrder(arg2); r_ans = Rf_ScalarInteger(result);
28675   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_HasNonSingleBond(SEXP self,SEXP s_swig_copy)28676 SWIGEXPORT SEXP R_swig_OBMolAtomIter_HasNonSingleBond ( SEXP self, SEXP s_swig_copy) { bool result;
28677   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28678   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28679   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28680     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_HasNonSingleBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28681    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (bool)(*arg1)->HasNonSingleBond();
28682   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_HasSingleBond(SEXP self,SEXP s_swig_copy)28683 SWIGEXPORT SEXP R_swig_OBMolAtomIter_HasSingleBond ( SEXP self, SEXP s_swig_copy) { bool result;
28684   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28685   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28686   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28687     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_HasSingleBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28688    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (bool)(*arg1)->HasSingleBond();
28689   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_HasDoubleBond(SEXP self,SEXP s_swig_copy)28690 SWIGEXPORT SEXP R_swig_OBMolAtomIter_HasDoubleBond ( SEXP self, SEXP s_swig_copy) { bool result;
28691   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28692   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28693   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28694     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_HasDoubleBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28695    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (bool)(*arg1)->HasDoubleBond();
28696   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_HasAromaticBond(SEXP self,SEXP s_swig_copy)28697 SWIGEXPORT SEXP R_swig_OBMolAtomIter_HasAromaticBond ( SEXP self, SEXP s_swig_copy) { bool result;
28698   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28699   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28700   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28701     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_HasAromaticBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28702    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (bool)(*arg1)->HasAromaticBond();
28703   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_MatchesSMARTS(SEXP self,SEXP s_arg2,SEXP s_swig_copy)28704 SWIGEXPORT SEXP R_swig_OBMolAtomIter_MatchesSMARTS ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
28705   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; char *arg2 = (char *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28706   int res2 ; char *buf2 = 0 ; int alloc2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
28707   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 );
28708   if (!SWIG_IsOK(res1)) {
28709     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_MatchesSMARTS" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28710    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); res2 = SWIG_AsCharPtrAndSize(s_arg2, &buf2, NULL, &alloc2);
28711   if (!SWIG_IsOK(res2)) {
28712     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_MatchesSMARTS" "', argument " "2"" of type '" "char const *""'"); }
28713    arg2 = reinterpret_cast< char * >(buf2); result = (bool)(*arg1)->MatchesSMARTS((char const *)arg2);
28714   r_ans = Rf_ScalarLogical(result); if (alloc2 == SWIG_NEWOBJ) delete[] buf2; vmaxset(r_vmax);
28715   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_Clear(SEXP self,SEXP s_swig_copy)28716 SWIGEXPORT SEXP R_swig_OBMolAtomIter_Clear ( SEXP self, SEXP s_swig_copy) { bool result;
28717   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28718   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28719   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28720     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_Clear" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28721    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (bool)(*arg1)->Clear();
28722   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_DoTransformations(SEXP self,SEXP s_arg2,SEXP s_arg3)28723 SWIGEXPORT SEXP R_swig_OBMolAtomIter_DoTransformations ( SEXP self, SEXP s_arg2, SEXP s_arg3) { OpenBabel::OBBase *result = 0 ;
28724   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ;
28725   std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > *arg2 = (std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > *) 0 ;
28726   OpenBabel::OBConversion *arg3 = (OpenBabel::OBConversion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
28727   int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
28728   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 );
28729   if (!SWIG_IsOK(res1)) {
28730     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_DoTransformations" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28731    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1);
28732   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_std__mapT_std__string_std__string_std__lessT_std__string_t_std__allocatorT_std__pairT_std__string_const_std__string_t_t_t, 0 |  0 );
28733   if (!SWIG_IsOK(res2)) {
28734     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_DoTransformations" "', argument " "2"" of type '" "std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > const *""'");  }
28735 
28736   arg2 = reinterpret_cast< std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > * >(argp2);
28737   res3 = SWIG_R_ConvertPtr(s_arg3, &argp3, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res3)) {
28738     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBMolAtomIter_DoTransformations" "', argument " "3"" of type '" "OpenBabel::OBConversion *""'");  }
28739    arg3 = reinterpret_cast< OpenBabel::OBConversion * >(argp3);
28740   result = (OpenBabel::OBBase *)(*arg1)->DoTransformations((std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > const *)arg2,arg3);
28741   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBase, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
28742   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_ClassDescription(SEXP self)28743 SWIGEXPORT SEXP R_swig_OBMolAtomIter_ClassDescription ( SEXP self) { char *result = 0 ;
28744   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28745   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28746   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28747     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_ClassDescription" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28748    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (char *)(*arg1)->ClassDescription();
28749   r_ans = SWIG_FromCharPtr((const char *)result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_GetTitle__SWIG_0(SEXP self,SEXP replaceNewlines)28750 SWIGEXPORT SEXP R_swig_OBMolAtomIter_GetTitle__SWIG_0 ( SEXP self, SEXP replaceNewlines) { char *result = 0 ;
28751   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
28752   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28753   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28754     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetTitle" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const *""'");  }
28755    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); arg2 = LOGICAL(replaceNewlines)[0] ? true : false;
28756   result = (char *)(*arg1)->GetTitle(arg2); r_ans = SWIG_FromCharPtr((const char *)result); vmaxset(r_vmax);
28757   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_GetTitle__SWIG_1(SEXP self)28758 SWIGEXPORT SEXP R_swig_OBMolAtomIter_GetTitle__SWIG_1 ( SEXP self) { char *result = 0 ;
28759   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28760   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28761   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28762     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetTitle" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const *""'");  }
28763    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (char *)(*arg1)->GetTitle();
28764   r_ans = SWIG_FromCharPtr((const char *)result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_SetTitle(SEXP self,SEXP s_arg2)28765 SWIGEXPORT SEXP R_swig_OBMolAtomIter_SetTitle ( SEXP self, SEXP s_arg2) {
28766   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; char *arg2 = (char *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28767   int res2 ; char *buf2 = 0 ; int alloc2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
28768   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 );
28769   if (!SWIG_IsOK(res1)) {
28770     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_SetTitle" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28771    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); res2 = SWIG_AsCharPtrAndSize(s_arg2, &buf2, NULL, &alloc2);
28772   if (!SWIG_IsOK(res2)) {
28773     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_SetTitle" "', argument " "2"" of type '" "char const *""'"); }
28774    arg2 = reinterpret_cast< char * >(buf2); (*arg1)->SetTitle((char const *)arg2); r_ans = R_NilValue;
28775   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_HasData__SWIG_0(SEXP self,SEXP s_arg2,SEXP s_swig_copy)28776 SWIGEXPORT SEXP R_swig_OBMolAtomIter_HasData__SWIG_0 ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
28777   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
28778   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28779   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28780     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_HasData" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28781    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); { std::string *ptr = (std::string *)0;
28782     res2 = SWIG_AsPtr_std_string(s_arg2, &ptr); if (!SWIG_IsOK(res2)) {
28783       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_HasData" "', argument " "2"" of type '" "std::string const &""'"); }
28784      if (!ptr) {
28785       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomIter_HasData" "', argument " "2"" of type '" "std::string const &""'"); }
28786      arg2 = ptr; }  result = (bool)(*arg1)->HasData((std::string const &)*arg2); r_ans = Rf_ScalarLogical(result);
28787   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_HasData__SWIG_1(SEXP self,SEXP type,SEXP s_swig_copy)28788 SWIGEXPORT SEXP R_swig_OBMolAtomIter_HasData__SWIG_1 ( SEXP self, SEXP type, SEXP s_swig_copy) { bool result;
28789   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
28790   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28791   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28792     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_HasData" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28793    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); ecode2 = SWIG_AsVal_int(type, &val2); if (!SWIG_IsOK(ecode2)) {
28794     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomIter_HasData" "', argument " "2"" of type '" "unsigned int""'"); }
28795     arg2 = static_cast< unsigned int >(val2); result = (bool)(*arg1)->HasData(arg2); r_ans = Rf_ScalarLogical(result);
28796   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_DeleteData__SWIG_0(SEXP self,SEXP type)28797 SWIGEXPORT SEXP R_swig_OBMolAtomIter_DeleteData__SWIG_0 ( SEXP self, SEXP type) {
28798   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
28799   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28800   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28801     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_DeleteData" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28802    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); ecode2 = SWIG_AsVal_int(type, &val2); if (!SWIG_IsOK(ecode2)) {
28803     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomIter_DeleteData" "', argument " "2"" of type '" "unsigned int""'"); }
28804     arg2 = static_cast< unsigned int >(val2); (*arg1)->DeleteData(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
28805   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_DeleteData__SWIG_1(SEXP self,SEXP s_arg2)28806 SWIGEXPORT SEXP R_swig_OBMolAtomIter_DeleteData__SWIG_1 ( SEXP self, SEXP s_arg2) {
28807   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ;
28808   OpenBabel::OBGenericData *arg2 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
28809   int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28810   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28811     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_DeleteData" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28812    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1);
28813   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res2)) {
28814     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_DeleteData" "', argument " "2"" of type '" "OpenBabel::OBGenericData *""'");  }
28815    arg2 = reinterpret_cast< OpenBabel::OBGenericData * >(argp2); (*arg1)->DeleteData(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
28816   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_DeleteData__SWIG_2(SEXP self,SEXP s_arg2)28817 SWIGEXPORT SEXP R_swig_OBMolAtomIter_DeleteData__SWIG_2 ( SEXP self, SEXP s_arg2) {
28818   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ;
28819   std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > *arg2 = 0 ; void *argp1 = 0 ;
28820   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
28821   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 );
28822   if (!SWIG_IsOK(res1)) {
28823     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_DeleteData" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28824    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1);
28825   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t,  0 );
28826   if (!SWIG_IsOK(res2)) {
28827     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_DeleteData" "', argument " "2"" of type '" "std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > &""'");  }
28828    if (!argp2) {
28829     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomIter_DeleteData" "', argument " "2"" of type '" "std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > &""'"); }
28830    arg2 = reinterpret_cast< std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > * >(argp2);
28831   (*arg1)->DeleteData(*arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_DeleteData__SWIG_3(SEXP self,SEXP s,SEXP s_swig_copy)28832 SWIGEXPORT SEXP R_swig_OBMolAtomIter_DeleteData__SWIG_3 ( SEXP self, SEXP s, SEXP s_swig_copy) { bool result;
28833   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
28834   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28835   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28836     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_DeleteData" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28837    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); { std::string *ptr = (std::string *)0;
28838     res2 = SWIG_AsPtr_std_string(s, &ptr); if (!SWIG_IsOK(res2)) {
28839       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_DeleteData" "', argument " "2"" of type '" "std::string const &""'"); }
28840      if (!ptr) {
28841       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomIter_DeleteData" "', argument " "2"" of type '" "std::string const &""'"); }
28842      arg2 = ptr; }  result = (bool)(*arg1)->DeleteData((std::string const &)*arg2); r_ans = Rf_ScalarLogical(result);
28843   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_CloneData(SEXP self,SEXP d)28844 SWIGEXPORT SEXP R_swig_OBMolAtomIter_CloneData ( SEXP self, SEXP d) {
28845   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ;
28846   OpenBabel::OBGenericData *arg2 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
28847   int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28848   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28849     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_CloneData" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28850    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1);
28851   res2 = SWIG_R_ConvertPtr(d, &argp2, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res2)) {
28852     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_CloneData" "', argument " "2"" of type '" "OpenBabel::OBGenericData *""'");  }
28853    arg2 = reinterpret_cast< OpenBabel::OBGenericData * >(argp2); (*arg1)->CloneData(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
28854   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_DataSize(SEXP self,SEXP s_swig_copy)28855 SWIGEXPORT SEXP R_swig_OBMolAtomIter_DataSize ( SEXP self, SEXP s_swig_copy) { size_t result;
28856   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28857   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28858   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28859     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_DataSize" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter const *""'");  }
28860    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (*arg1)->DataSize();
28861   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_GetData__SWIG_0(SEXP self,SEXP type)28862 SWIGEXPORT SEXP R_swig_OBMolAtomIter_GetData__SWIG_0 ( SEXP self, SEXP type) { OpenBabel::OBGenericData *result = 0 ;
28863   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
28864   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28865   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28866     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetData" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28867    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); ecode2 = SWIG_AsVal_int(type, &val2); if (!SWIG_IsOK(ecode2)) {
28868     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomIter_GetData" "', argument " "2"" of type '" "unsigned int""'"); }
28869     arg2 = static_cast< unsigned int >(val2); result = (OpenBabel::OBGenericData *)(*arg1)->GetData(arg2);
28870   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGenericData, R_SWIG_EXTERNAL |  0 );
28871   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_GetData__SWIG_1(SEXP self,SEXP s_arg2)28872 SWIGEXPORT SEXP R_swig_OBMolAtomIter_GetData__SWIG_1 ( SEXP self, SEXP s_arg2) { OpenBabel::OBGenericData *result = 0 ;
28873   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
28874   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28875   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28876     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetData" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28877    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); { std::string *ptr = (std::string *)0;
28878     res2 = SWIG_AsPtr_std_string(s_arg2, &ptr); if (!SWIG_IsOK(res2)) {
28879       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomIter_GetData" "', argument " "2"" of type '" "std::string const &""'"); }
28880      if (!ptr) {
28881       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomIter_GetData" "', argument " "2"" of type '" "std::string const &""'"); }
28882      arg2 = ptr; }  result = (OpenBabel::OBGenericData *)(*arg1)->GetData((std::string const &)*arg2);
28883   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGenericData, R_SWIG_EXTERNAL |  0 );
28884   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_GetData__SWIG_2(SEXP self,SEXP s_swig_copy)28885 SWIGEXPORT SEXP R_swig_OBMolAtomIter_GetData__SWIG_2 ( SEXP self, SEXP s_swig_copy) {
28886   std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > *result = 0 ;
28887   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28888   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28889   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28890     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetData" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28891    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1);
28892   result = (std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > *) &(*arg1)->GetData();
28893   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t, R_SWIG_EXTERNAL |  0 );
28894   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_GetData__SWIG_3(SEXP self,SEXP source,SEXP s_swig_copy)28895 SWIGEXPORT SEXP R_swig_OBMolAtomIter_GetData__SWIG_3 ( SEXP self, SEXP source, SEXP s_swig_copy) {
28896   std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > result;
28897   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; OpenBabel::DataOrigin arg2 ; void *argp1 = 0 ;
28898   int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
28899   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 );
28900   if (!SWIG_IsOK(res1)) {
28901     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetData" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28902    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); ecode2 = SWIG_AsVal_int(source, &val2);
28903   if (!SWIG_IsOK(ecode2)) {
28904     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomIter_GetData" "', argument " "2"" of type '" "OpenBabel::DataOrigin""'"); }
28905     arg2 = static_cast< OpenBabel::DataOrigin >(val2); result = (*arg1)->GetData(arg2);
28906   r_ans = swig::from(static_cast< std::vector<OpenBabel::OBGenericData*,std::allocator< OpenBabel::OBGenericData * > > >(result));
28907   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_GetAllData(SEXP self,SEXP type,SEXP s_swig_copy)28908 SWIGEXPORT SEXP R_swig_OBMolAtomIter_GetAllData ( SEXP self, SEXP type, SEXP s_swig_copy) {
28909   std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > result;
28910   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
28911   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28912   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28913     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_GetAllData" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28914    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); ecode2 = SWIG_AsVal_int(type, &val2); if (!SWIG_IsOK(ecode2)) {
28915     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomIter_GetAllData" "', argument " "2"" of type '" "unsigned int""'"); }
28916     arg2 = static_cast< unsigned int >(val2); result = (*arg1)->GetAllData(arg2);
28917   r_ans = swig::from(static_cast< std::vector<OpenBabel::OBGenericData*,std::allocator< OpenBabel::OBGenericData * > > >(result));
28918   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_BeginData(SEXP self,SEXP s_swig_copy)28919 SWIGEXPORT SEXP R_swig_OBMolAtomIter_BeginData ( SEXP self, SEXP s_swig_copy) {
28920   SwigValueWrapper< std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > >::iterator > result;
28921   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28922   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28923   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28924     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_BeginData" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28925    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (*arg1)->BeginData();
28926   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBDataIterator(static_cast< const OpenBabel::OBDataIterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
28927   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomIter_EndData(SEXP self,SEXP s_swig_copy)28928 SWIGEXPORT SEXP R_swig_OBMolAtomIter_EndData ( SEXP self, SEXP s_swig_copy) {
28929   SwigValueWrapper< std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > >::iterator > result;
28930   OpenBabel::OBMolAtomIter *arg1 = (OpenBabel::OBMolAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28931   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28932   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28933     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomIter_EndData" "', argument " "1"" of type '" "OpenBabel::OBMolAtomIter *""'");  }
28934    arg1 = reinterpret_cast< OpenBabel::OBMolAtomIter * >(argp1); result = (*arg1)->EndData();
28935   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBDataIterator(static_cast< const OpenBabel::OBDataIterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
28936   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBMolAtomDFSIter__SWIG_0()28937 SWIGEXPORT SEXP R_swig_new_OBMolAtomDFSIter__SWIG_0 ( ) { OpenBabel::OBMolAtomDFSIter *result = 0 ; unsigned int r_nprotect = 0;
28938   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28939   result = (OpenBabel::OBMolAtomDFSIter *)new OpenBabel::OBMolAtomDFSIter();
28940   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, R_SWIG_OWNER |  0 );
28941   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBMolAtomDFSIter__SWIG_1(SEXP mol,SEXP StartIndex)28942 SWIGEXPORT SEXP R_swig_new_OBMolAtomDFSIter__SWIG_1 ( SEXP mol, SEXP StartIndex) { OpenBabel::OBMolAtomDFSIter *result = 0 ;
28943   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
28944   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28945   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28946     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBMolAtomDFSIter" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
28947    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = static_cast< int >(INTEGER(StartIndex)[0]);
28948   result = (OpenBabel::OBMolAtomDFSIter *)new OpenBabel::OBMolAtomDFSIter(arg1,arg2);
28949   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, R_SWIG_OWNER |  0 );
28950   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBMolAtomDFSIter__SWIG_2(SEXP mol)28951 SWIGEXPORT SEXP R_swig_new_OBMolAtomDFSIter__SWIG_2 ( SEXP mol) { OpenBabel::OBMolAtomDFSIter *result = 0 ;
28952   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
28953   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28954   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28955     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBMolAtomDFSIter" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
28956    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
28957   result = (OpenBabel::OBMolAtomDFSIter *)new OpenBabel::OBMolAtomDFSIter(arg1);
28958   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, R_SWIG_OWNER |  0 );
28959   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBMolAtomDFSIter__SWIG_3(SEXP ai)28960 SWIGEXPORT SEXP R_swig_new_OBMolAtomDFSIter__SWIG_3 ( SEXP ai) { OpenBabel::OBMolAtomDFSIter *result = 0 ;
28961   OpenBabel::OBMolAtomDFSIter *arg1 = 0 ; void *argp1 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
28962   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(ai, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter,  0 );
28963   if (!SWIG_IsOK(res1)) {
28964     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBMolAtomDFSIter" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const &""'");  }
28965    if (!argp1) {
28966     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBMolAtomDFSIter" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const &""'"); }
28967    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1);
28968   result = (OpenBabel::OBMolAtomDFSIter *)new OpenBabel::OBMolAtomDFSIter((OpenBabel::OBMolAtomDFSIter const &)*arg1);
28969   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, R_SWIG_OWNER |  0 );
28970   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBMolAtomDFSIter(SEXP self)28971 SWIGEXPORT SEXP R_swig_delete_OBMolAtomDFSIter ( SEXP self) {
28972   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28973   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28974   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, SWIG_POINTER_DISOWN |  0 );
28975   if (!SWIG_IsOK(res1)) {
28976     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBMolAtomDFSIter" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
28977    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
28978   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBMolAtomDFSIter_HasMore(SEXP self,SEXP s_swig_copy)28979 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_HasMore ( SEXP self, SEXP s_swig_copy) { bool result;
28980   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28981   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28982   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28983     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_HasMore" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const *""'");  }
28984    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1);
28985   result = (bool)((OpenBabel::OBMolAtomDFSIter const *)arg1)->operator bool(); r_ans = Rf_ScalarLogical(result);
28986   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_inc__SWIG_0(SEXP self,SEXP s_swig_copy)28987 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_inc__SWIG_0 ( SEXP self, SEXP s_swig_copy) { OpenBabel::OBMolAtomDFSIter *result = 0 ;
28988   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
28989   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28990   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
28991     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_inc" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
28992    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1);
28993   result = (OpenBabel::OBMolAtomDFSIter *) &(arg1)->operator ++();
28994   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, R_SWIG_EXTERNAL |  0 );
28995   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_inc__SWIG_1(SEXP self,SEXP s_arg2,SEXP s_swig_copy)28996 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_inc__SWIG_1 ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) {
28997   OpenBabel::OBMolAtomDFSIter result; OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; int arg2 ;
28998   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
28999   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29000     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_inc" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29001    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
29002   result = (arg1)->operator ++(arg2);
29003   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBMolAtomDFSIter(static_cast< const OpenBabel::OBMolAtomDFSIter& >(result))), SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, SWIG_POINTER_OWN |  0 );
29004   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter___deref__(SEXP self)29005 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter___deref__ ( SEXP self) { OpenBabel::OBAtom *result = 0 ;
29006   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29007   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29008   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29009     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter___deref__" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const *""'");  }
29010    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1);
29011   result = (OpenBabel::OBAtom *)((OpenBabel::OBMolAtomDFSIter const *)arg1)->operator ->();
29012   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
29013   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter___ref__(SEXP self,SEXP s_swig_copy)29014 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter___ref__ ( SEXP self, SEXP s_swig_copy) { OpenBabel::OBAtom *result = 0 ;
29015   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29016   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29017   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29018     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter___ref__" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const *""'");  }
29019    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1);
29020   result = (OpenBabel::OBAtom *) &((OpenBabel::OBMolAtomDFSIter const *)arg1)->operator *();
29021   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
29022   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter__next(SEXP self)29023 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter__next ( SEXP self) { OpenBabel::OBAtom *result = 0 ;
29024   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29025   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29026   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29027     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter__next" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29028    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (OpenBabel::OBAtom *)(arg1)->next();
29029   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
29030   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_Visit_set(SEXP self,SEXP s_Visit)29031 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_Visit_set ( SEXP self, SEXP s_Visit) {
29032   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
29033   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29034   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29035     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29036    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); arg2 = LOGICAL(s_Visit)[0] ? true : false;
29037   if (arg1) (*arg1)->Visit = arg2; r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_Visit_get(SEXP self,SEXP s_swig_copy)29038 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_Visit_get ( SEXP self, SEXP s_swig_copy) { bool result;
29039   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29040   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29041   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29042     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29043    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (bool) ((*arg1)->Visit);
29044   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_Duplicate(SEXP self,SEXP s_arg2)29045 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_Duplicate ( SEXP self, SEXP s_arg2) {
29046   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
29047   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
29048   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 );
29049   if (!SWIG_IsOK(res1)) {
29050     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_Duplicate" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29051    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1);
29052   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
29053     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_Duplicate" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
29054    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); (*arg1)->Duplicate(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
29055   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_SetIdx(SEXP self,SEXP idx)29056 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_SetIdx ( SEXP self, SEXP idx) {
29057   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
29058   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29059   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29060     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_SetIdx" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29061    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); arg2 = static_cast< int >(INTEGER(idx)[0]);
29062   (*arg1)->SetIdx(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_SetId(SEXP self,SEXP id)29063 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_SetId ( SEXP self, SEXP id) {
29064   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; unsigned long arg2 ; void *argp1 = 0 ; int res1 = 0 ;
29065   long val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29066   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29067     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_SetId" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29068    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); ecode2 = SWIG_AsVal_long(id, &val2);
29069   if (!SWIG_IsOK(ecode2)) {
29070     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomDFSIter_SetId" "', argument " "2"" of type '" "unsigned long""'"); }
29071     arg2 = static_cast< unsigned long >(val2); (*arg1)->SetId(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
29072   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_SetHyb(SEXP self,SEXP hyb)29073 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_SetHyb ( SEXP self, SEXP hyb) {
29074   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
29075   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29076   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29077     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_SetHyb" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29078    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); arg2 = static_cast< int >(INTEGER(hyb)[0]);
29079   (*arg1)->SetHyb(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_SetAtomicNum(SEXP self,SEXP atomicnum)29080 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_SetAtomicNum ( SEXP self, SEXP atomicnum) {
29081   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
29082   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29083   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29084     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_SetAtomicNum" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29085    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); arg2 = static_cast< int >(INTEGER(atomicnum)[0]);
29086   (*arg1)->SetAtomicNum(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_SetIsotope(SEXP self,SEXP iso)29087 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_SetIsotope ( SEXP self, SEXP iso) {
29088   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
29089   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29090   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29091     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_SetIsotope" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29092    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); ecode2 = SWIG_AsVal_int(iso, &val2);
29093   if (!SWIG_IsOK(ecode2)) {
29094     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomDFSIter_SetIsotope" "', argument " "2"" of type '" "unsigned int""'"); }
29095     arg2 = static_cast< unsigned int >(val2); (*arg1)->SetIsotope(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
29096   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_SetImplicitValence(SEXP self,SEXP val)29097 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_SetImplicitValence ( SEXP self, SEXP val) {
29098   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
29099   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29100   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29101     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_SetImplicitValence" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29102    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); arg2 = static_cast< int >(INTEGER(val)[0]);
29103   (*arg1)->SetImplicitValence(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
29104   return r_ans; }
R_swig_OBMolAtomDFSIter_IncrementImplicitValence(SEXP self)29105 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_IncrementImplicitValence ( SEXP self) {
29106   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29107   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29108   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29109     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_IncrementImplicitValence" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29110    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); (*arg1)->IncrementImplicitValence(); r_ans = R_NilValue;
29111   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_DecrementImplicitValence(SEXP self)29112 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_DecrementImplicitValence ( SEXP self) {
29113   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29114   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29115   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29116     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_DecrementImplicitValence" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29117    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); (*arg1)->DecrementImplicitValence(); r_ans = R_NilValue;
29118   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_SetFormalCharge(SEXP self,SEXP fcharge)29119 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_SetFormalCharge ( SEXP self, SEXP fcharge) {
29120   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
29121   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29122   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29123     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_SetFormalCharge" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29124    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); arg2 = static_cast< int >(INTEGER(fcharge)[0]);
29125   (*arg1)->SetFormalCharge(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_SetSpinMultiplicity(SEXP self,SEXP spin)29126 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_SetSpinMultiplicity ( SEXP self, SEXP spin) {
29127   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; short arg2 ; void *argp1 = 0 ; int res1 = 0 ;
29128   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29129   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29130     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_SetSpinMultiplicity" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29131    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); ecode2 = SWIG_AsVal_int(spin, &val2);
29132   if (!SWIG_IsOK(ecode2)) {
29133     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomDFSIter_SetSpinMultiplicity" "', argument " "2"" of type '" "short""'"); }
29134     arg2 = static_cast< short >(val2); (*arg1)->SetSpinMultiplicity(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
29135   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_SetType(SEXP self,SEXP type)29136 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_SetType ( SEXP self, SEXP type) {
29137   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ;
29138   int res1 = 0 ; int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29139   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29140     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_SetType" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29141    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); { std::string *ptr = (std::string *)0;
29142     res2 = SWIG_AsPtr_std_string(type, &ptr); if (!SWIG_IsOK(res2)) {
29143       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_SetType" "', argument " "2"" of type '" "std::string const &""'"); }
29144      if (!ptr) {
29145       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomDFSIter_SetType" "', argument " "2"" of type '" "std::string const &""'"); }
29146      arg2 = ptr; }  (*arg1)->SetType((std::string const &)*arg2); r_ans = R_NilValue; if (SWIG_IsNewObj(res2)) delete arg2;
29147   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_SetPartialCharge(SEXP self,SEXP pcharge)29148 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_SetPartialCharge ( SEXP self, SEXP pcharge) {
29149   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; double arg2 ; void *argp1 = 0 ; int res1 = 0 ;
29150   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29151   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29152     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_SetPartialCharge" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29153    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); arg2 = static_cast< double >(REAL(pcharge)[0]);
29154   (*arg1)->SetPartialCharge(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_SetVector__SWIG_0(SEXP self,SEXP v)29155 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_SetVector__SWIG_0 ( SEXP self, SEXP v) {
29156   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; OpenBabel::vector3 *arg2 = 0 ; void *argp1 = 0 ;
29157   int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
29158   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 );
29159   if (!SWIG_IsOK(res1)) {
29160     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_SetVector" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29161    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1);
29162   res2 = SWIG_R_ConvertPtr(v, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
29163     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_SetVector" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'");  }
29164    if (!argp2) {
29165     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomDFSIter_SetVector" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'"); }
29166    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2); (*arg1)->SetVector((OpenBabel::vector3 const &)*arg2);
29167   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_SetVector__SWIG_1(SEXP self,SEXP x,SEXP y,SEXP z)29168 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_SetVector__SWIG_1 ( SEXP self, SEXP x, SEXP y, SEXP z) {
29169   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; double arg2 ; double arg3 ; double arg4 ;
29170   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29171   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29172     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_SetVector" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29173    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); arg2 = static_cast< double >(REAL(x)[0]);
29174   arg3 = static_cast< double >(REAL(y)[0]); arg4 = static_cast< double >(REAL(z)[0]); (*arg1)->SetVector(arg2,arg3,arg4);
29175   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_SetVector__SWIG_2(SEXP self)29176 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_SetVector__SWIG_2 ( SEXP self) {
29177   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29178   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29179   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29180     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_SetVector" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29181    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); (*arg1)->SetVector(); r_ans = R_NilValue; vmaxset(r_vmax);
29182   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_SetCoordPtr(SEXP self,SEXP c)29183 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_SetCoordPtr ( SEXP self, SEXP c) {
29184   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; double **arg2 = (double **) 0 ; void *argp1 = 0 ;
29185   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
29186   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 );
29187   if (!SWIG_IsOK(res1)) {
29188     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_SetCoordPtr" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29189    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1);
29190   res2 = SWIG_R_ConvertPtr(c, &argp2, SWIGTYPE_p_p_double, 0 |  0 ); if (!SWIG_IsOK(res2)) {
29191     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_SetCoordPtr" "', argument " "2"" of type '" "double **""'");  }
29192    arg2 = reinterpret_cast< double ** >(argp2); (*arg1)->SetCoordPtr(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
29193   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_SetResidue(SEXP self,SEXP res)29194 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_SetResidue ( SEXP self, SEXP res) {
29195   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ;
29196   OpenBabel::OBResidue *arg2 = (OpenBabel::OBResidue *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
29197   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29198   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29199     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_SetResidue" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29200    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1);
29201   res2 = SWIG_R_ConvertPtr(res, &argp2, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 ); if (!SWIG_IsOK(res2)) {
29202     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_SetResidue" "', argument " "2"" of type '" "OpenBabel::OBResidue *""'");  }
29203    arg2 = reinterpret_cast< OpenBabel::OBResidue * >(argp2); (*arg1)->SetResidue(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
29204   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_SetParent(SEXP self,SEXP ptr)29205 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_SetParent ( SEXP self, SEXP ptr) {
29206   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ;
29207   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
29208   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 );
29209   if (!SWIG_IsOK(res1)) {
29210     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_SetParent" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29211    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1);
29212   res2 = SWIG_R_ConvertPtr(ptr, &argp2, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res2)) {
29213     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_SetParent" "', argument " "2"" of type '" "OpenBabel::OBMol *""'");  }
29214    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); (*arg1)->SetParent(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
29215   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_SetAromatic(SEXP self)29216 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_SetAromatic ( SEXP self) {
29217   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29218   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29219   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29220     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_SetAromatic" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29221    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); (*arg1)->SetAromatic(); r_ans = R_NilValue; vmaxset(r_vmax);
29222   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_UnsetAromatic(SEXP self)29223 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_UnsetAromatic ( SEXP self) {
29224   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29225   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29226   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29227     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_UnsetAromatic" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29228    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); (*arg1)->UnsetAromatic(); r_ans = R_NilValue;
29229   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_SetClockwiseStereo(SEXP self)29230 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_SetClockwiseStereo ( SEXP self) {
29231   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29232   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29233   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29234     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_SetClockwiseStereo" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29235    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); (*arg1)->SetClockwiseStereo(); r_ans = R_NilValue;
29236   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_SetAntiClockwiseStereo(SEXP self)29237 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_SetAntiClockwiseStereo ( SEXP self) {
29238   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29239   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29240   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29241     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_SetAntiClockwiseStereo" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29242    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); (*arg1)->SetAntiClockwiseStereo(); r_ans = R_NilValue;
29243   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_SetPositiveStereo(SEXP self)29244 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_SetPositiveStereo ( SEXP self) {
29245   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29246   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29247   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29248     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_SetPositiveStereo" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29249    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); (*arg1)->SetPositiveStereo(); r_ans = R_NilValue;
29250   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_SetNegativeStereo(SEXP self)29251 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_SetNegativeStereo ( SEXP self) {
29252   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29253   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29254   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29255     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_SetNegativeStereo" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29256    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); (*arg1)->SetNegativeStereo(); r_ans = R_NilValue;
29257   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_UnsetStereo(SEXP self)29258 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_UnsetStereo ( SEXP self) {
29259   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29260   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29261   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29262     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_UnsetStereo" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29263    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); (*arg1)->UnsetStereo(); r_ans = R_NilValue; vmaxset(r_vmax);
29264   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_SetInRing(SEXP self)29265 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_SetInRing ( SEXP self) {
29266   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29267   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29268   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29269     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_SetInRing" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29270    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); (*arg1)->SetInRing(); r_ans = R_NilValue; vmaxset(r_vmax);
29271   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_SetChiral(SEXP self)29272 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_SetChiral ( SEXP self) {
29273   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29274   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29275   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29276     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_SetChiral" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29277    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); (*arg1)->SetChiral(); r_ans = R_NilValue; vmaxset(r_vmax);
29278   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_ClearCoordPtr(SEXP self)29279 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_ClearCoordPtr ( SEXP self) {
29280   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29281   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29282   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29283     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_ClearCoordPtr" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29284    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); (*arg1)->ClearCoordPtr(); r_ans = R_NilValue;
29285   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_GetFormalCharge(SEXP self,SEXP s_swig_copy)29286 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_GetFormalCharge ( SEXP self, SEXP s_swig_copy) { int result;
29287   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29288   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29289   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29290     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetFormalCharge" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const *""'");  }
29291    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (int)(*arg1)->GetFormalCharge();
29292   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_GetAtomicNum(SEXP self,SEXP s_swig_copy)29293 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_GetAtomicNum ( SEXP self, SEXP s_swig_copy) { unsigned int result;
29294   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29295   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29296   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29297     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetAtomicNum" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const *""'");  }
29298    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (unsigned int)(*arg1)->GetAtomicNum();
29299   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_GetIsotope(SEXP self,SEXP s_swig_copy)29300 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_GetIsotope ( SEXP self, SEXP s_swig_copy) { unsigned short result;
29301   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29302   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29303   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29304     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetIsotope" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const *""'");  }
29305    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (unsigned short)(*arg1)->GetIsotope();
29306   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_GetSpinMultiplicity(SEXP self,SEXP s_swig_copy)29307 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_GetSpinMultiplicity ( SEXP self, SEXP s_swig_copy) { int result;
29308   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29309   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29310   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29311     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetSpinMultiplicity" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const *""'");  }
29312    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (int)(*arg1)->GetSpinMultiplicity();
29313   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_GetAtomicMass(SEXP self,SEXP s_swig_copy)29314 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_GetAtomicMass ( SEXP self, SEXP s_swig_copy) { double result;
29315   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29316   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29317   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29318     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetAtomicMass" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const *""'");  }
29319    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (double)(*arg1)->GetAtomicMass();
29320   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
29321   return r_ans; }
R_swig_OBMolAtomDFSIter_GetExactMass(SEXP self,SEXP s_swig_copy)29322 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_GetExactMass ( SEXP self, SEXP s_swig_copy) { double result;
29323   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29324   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29325   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29326     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetExactMass" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const *""'");  }
29327    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (double)(*arg1)->GetExactMass();
29328   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
29329   return r_ans; }
R_swig_OBMolAtomDFSIter_GetIdx(SEXP self,SEXP s_swig_copy)29330 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_GetIdx ( SEXP self, SEXP s_swig_copy) { unsigned int result;
29331   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29332   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29333   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29334     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetIdx" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const *""'");  }
29335    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (unsigned int)(*arg1)->GetIdx();
29336   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_GetIndex(SEXP self,SEXP s_swig_copy)29337 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_GetIndex ( SEXP self, SEXP s_swig_copy) { unsigned int result;
29338   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29339   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29340   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29341     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetIndex" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const *""'");  }
29342    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (unsigned int)(*arg1)->GetIndex();
29343   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_GetId(SEXP self,SEXP s_swig_copy)29344 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_GetId ( SEXP self, SEXP s_swig_copy) { unsigned long result;
29345   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29346   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29347   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29348     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetId" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const *""'");  }
29349    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (unsigned long)(*arg1)->GetId();
29350   r_ans = SWIG_From_long(static_cast< long >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_GetCoordinateIdx(SEXP self,SEXP s_swig_copy)29351 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_GetCoordinateIdx ( SEXP self, SEXP s_swig_copy) { unsigned int result;
29352   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29353   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29354   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29355     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetCoordinateIdx" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const *""'");  }
29356    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (unsigned int)(*arg1)->GetCoordinateIdx();
29357   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_GetCIdx(SEXP self,SEXP s_swig_copy)29358 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_GetCIdx ( SEXP self, SEXP s_swig_copy) { unsigned int result;
29359   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29360   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29361   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29362     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetCIdx" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const *""'");  }
29363    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (unsigned int)(*arg1)->GetCIdx();
29364   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_GetValence(SEXP self,SEXP s_swig_copy)29365 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_GetValence ( SEXP self, SEXP s_swig_copy) { unsigned int result;
29366   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29367   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29368   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29369     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetValence" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const *""'");  }
29370    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (unsigned int)(*arg1)->GetValence();
29371   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_GetHyb(SEXP self,SEXP s_swig_copy)29372 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_GetHyb ( SEXP self, SEXP s_swig_copy) { unsigned int result;
29373   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29374   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29375   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29376     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetHyb" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const *""'");  }
29377    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (unsigned int)(*arg1)->GetHyb();
29378   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_GetImplicitValence(SEXP self,SEXP s_swig_copy)29379 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_GetImplicitValence ( SEXP self, SEXP s_swig_copy) { unsigned int result;
29380   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29381   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29382   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29383     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetImplicitValence" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const *""'");  }
29384    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (unsigned int)(*arg1)->GetImplicitValence();
29385   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_GetHvyValence(SEXP self,SEXP s_swig_copy)29386 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_GetHvyValence ( SEXP self, SEXP s_swig_copy) { unsigned int result;
29387   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29388   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29389   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29390     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetHvyValence" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const *""'");  }
29391    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (unsigned int)(*arg1)->GetHvyValence();
29392   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_GetHeteroValence(SEXP self,SEXP s_swig_copy)29393 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_GetHeteroValence ( SEXP self, SEXP s_swig_copy) { unsigned int result;
29394   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29395   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29396   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29397     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetHeteroValence" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const *""'");  }
29398    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (unsigned int)(*arg1)->GetHeteroValence();
29399   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_GetType(SEXP self)29400 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_GetType ( SEXP self) { char *result = 0 ;
29401   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29402   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29403   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29404     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetType" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29405    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (char *)(*arg1)->GetType();
29406   r_ans = result ? Rf_mkString(reinterpret_cast< char * >(result)) : R_NilValue; vmaxset(r_vmax);
29407   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_GetX(SEXP self,SEXP s_swig_copy)29408 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_GetX ( SEXP self, SEXP s_swig_copy) { double result;
29409   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29410   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29411   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29412     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetX" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const *""'");  }
29413    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (double)(*arg1)->GetX();
29414   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
29415   return r_ans; }
R_swig_OBMolAtomDFSIter_GetY(SEXP self,SEXP s_swig_copy)29416 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_GetY ( SEXP self, SEXP s_swig_copy) { double result;
29417   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29418   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29419   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29420     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetY" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const *""'");  }
29421    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (double)(*arg1)->GetY();
29422   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
29423   return r_ans; }
R_swig_OBMolAtomDFSIter_GetZ(SEXP self,SEXP s_swig_copy)29424 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_GetZ ( SEXP self, SEXP s_swig_copy) { double result;
29425   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29426   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29427   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29428     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetZ" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const *""'");  }
29429    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (double)(*arg1)->GetZ();
29430   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
29431   return r_ans; }
R_swig_OBMolAtomDFSIter_x(SEXP self,SEXP s_swig_copy)29432 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_x ( SEXP self, SEXP s_swig_copy) { double result;
29433   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29434   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29435   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29436     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_x" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const *""'");  }
29437    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (double)(*arg1)->x();
29438   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
29439   return r_ans; }
R_swig_OBMolAtomDFSIter_y(SEXP self,SEXP s_swig_copy)29440 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_y ( SEXP self, SEXP s_swig_copy) { double result;
29441   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29442   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29443   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29444     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_y" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const *""'");  }
29445    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (double)(*arg1)->y();
29446   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
29447   return r_ans; }
R_swig_OBMolAtomDFSIter_z(SEXP self,SEXP s_swig_copy)29448 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_z ( SEXP self, SEXP s_swig_copy) { double result;
29449   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29450   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29451   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29452     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_z" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const *""'");  }
29453    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (double)(*arg1)->z();
29454   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
29455   return r_ans; }
R_swig_OBMolAtomDFSIter_GetCoordinate(SEXP self)29456 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_GetCoordinate ( SEXP self) { double *result = 0 ;
29457   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29458   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29459   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29460     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetCoordinate" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29461    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (double *)(*arg1)->GetCoordinate();
29462   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_double, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
29463   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_GetVector(SEXP self,SEXP s_swig_copy)29464 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_GetVector ( SEXP self, SEXP s_swig_copy) { OpenBabel::vector3 *result = 0 ;
29465   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29466   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29467   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29468     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetVector" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29469    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (OpenBabel::vector3 *) &(*arg1)->GetVector();
29470   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__vector3, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
29471   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_GetPartialCharge(SEXP self,SEXP s_swig_copy)29472 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_GetPartialCharge ( SEXP self, SEXP s_swig_copy) { double result;
29473   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29474   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29475   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29476     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetPartialCharge" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29477    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (double)(*arg1)->GetPartialCharge();
29478   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
29479   return r_ans; }
R_swig_OBMolAtomDFSIter_GetResidue__SWIG_0(SEXP self)29480 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_GetResidue__SWIG_0 ( SEXP self) { OpenBabel::OBResidue *result = 0 ;
29481   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29482   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29483   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29484     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetResidue" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29485    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (OpenBabel::OBResidue *)(*arg1)->GetResidue();
29486   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBResidue, R_SWIG_EXTERNAL |  0 );
29487   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_GetResidue__SWIG_1(SEXP self,SEXP perception)29488 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_GetResidue__SWIG_1 ( SEXP self, SEXP perception) { OpenBabel::OBResidue *result = 0 ;
29489   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
29490   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29491   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29492     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetResidue" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29493    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); arg2 = LOGICAL(perception)[0] ? true : false;
29494   result = (OpenBabel::OBResidue *)(*arg1)->GetResidue(arg2);
29495   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBResidue, R_SWIG_EXTERNAL |  0 );
29496   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_GetParent(SEXP self)29497 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_GetParent ( SEXP self) { OpenBabel::OBMol *result = 0 ;
29498   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29499   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29500   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29501     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetParent" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29502    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (OpenBabel::OBMol *)(*arg1)->GetParent();
29503   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMol, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
29504   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_GetNewBondVector(SEXP self,SEXP v,SEXP length,SEXP s_swig_copy)29505 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_GetNewBondVector ( SEXP self, SEXP v, SEXP length, SEXP s_swig_copy) { bool result;
29506   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; OpenBabel::vector3 *arg2 = 0 ; double arg3 ;
29507   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
29508   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 );
29509   if (!SWIG_IsOK(res1)) {
29510     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetNewBondVector" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29511    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1);
29512   res2 = SWIG_R_ConvertPtr(v, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
29513     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_GetNewBondVector" "', argument " "2"" of type '" "OpenBabel::vector3 &""'");  }
29514    if (!argp2) {
29515     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomDFSIter_GetNewBondVector" "', argument " "2"" of type '" "OpenBabel::vector3 &""'"); }
29516    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2); arg3 = static_cast< double >(REAL(length)[0]);
29517   result = (bool)(*arg1)->GetNewBondVector(*arg2,arg3); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
29518   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_GetBond(SEXP self,SEXP s_arg2)29519 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_GetBond ( SEXP self, SEXP s_arg2) { OpenBabel::OBBond *result = 0 ;
29520   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
29521   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
29522   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 );
29523   if (!SWIG_IsOK(res1)) {
29524     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29525    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1);
29526   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
29527     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_GetBond" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
29528    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (OpenBabel::OBBond *)(*arg1)->GetBond(arg2);
29529   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
29530   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_GetNextAtom(SEXP self)29531 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_GetNextAtom ( SEXP self) { OpenBabel::OBAtom *result = 0 ;
29532   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29533   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29534   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29535     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetNextAtom" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29536    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (OpenBabel::OBAtom *)(*arg1)->GetNextAtom();
29537   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
29538   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_BeginBonds(SEXP self,SEXP s_swig_copy)29539 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_BeginBonds ( SEXP self, SEXP s_swig_copy) {
29540   SwigValueWrapper< std::vector< OpenBabel::OBBond *,std::allocator< OpenBabel::OBBond * > >::iterator > result;
29541   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29542   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29543   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29544     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_BeginBonds" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29545    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (*arg1)->BeginBonds();
29546   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBBondIterator(static_cast< const OpenBabel::OBBondIterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
29547   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_EndBonds(SEXP self,SEXP s_swig_copy)29548 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_EndBonds ( SEXP self, SEXP s_swig_copy) {
29549   SwigValueWrapper< std::vector< OpenBabel::OBBond *,std::allocator< OpenBabel::OBBond * > >::iterator > result;
29550   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29551   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29552   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29553     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_EndBonds" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29554    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (*arg1)->EndBonds();
29555   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBBondIterator(static_cast< const OpenBabel::OBBondIterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
29556   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_BeginBond(SEXP self,SEXP i)29557 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_BeginBond ( SEXP self, SEXP i) { OpenBabel::OBBond *result = 0 ;
29558   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; OpenBabel::OBBondIterator *arg2 = 0 ;
29559   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
29560   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 );
29561   if (!SWIG_IsOK(res1)) {
29562     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_BeginBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29563    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1);
29564   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator,  0 );
29565   if (!SWIG_IsOK(res2)) {
29566     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_BeginBond" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'");  }
29567    if (!argp2) {
29568     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomDFSIter_BeginBond" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'"); }
29569    arg2 = reinterpret_cast< OpenBabel::OBBondIterator * >(argp2); result = (OpenBabel::OBBond *)(*arg1)->BeginBond(*arg2);
29570   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
29571   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_NextBond(SEXP self,SEXP i)29572 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_NextBond ( SEXP self, SEXP i) { OpenBabel::OBBond *result = 0 ;
29573   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; OpenBabel::OBBondIterator *arg2 = 0 ;
29574   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
29575   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 );
29576   if (!SWIG_IsOK(res1)) {
29577     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_NextBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29578    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1);
29579   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator,  0 );
29580   if (!SWIG_IsOK(res2)) {
29581     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_NextBond" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'");  }
29582    if (!argp2) {
29583     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomDFSIter_NextBond" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'"); }
29584    arg2 = reinterpret_cast< OpenBabel::OBBondIterator * >(argp2); result = (OpenBabel::OBBond *)(*arg1)->NextBond(*arg2);
29585   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
29586   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_BeginNbrAtom(SEXP self,SEXP i)29587 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_BeginNbrAtom ( SEXP self, SEXP i) { OpenBabel::OBAtom *result = 0 ;
29588   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; OpenBabel::OBBondIterator *arg2 = 0 ;
29589   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
29590   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 );
29591   if (!SWIG_IsOK(res1)) {
29592     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_BeginNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29593    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1);
29594   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator,  0 );
29595   if (!SWIG_IsOK(res2)) {
29596     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_BeginNbrAtom" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'");  }
29597    if (!argp2) {
29598     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomDFSIter_BeginNbrAtom" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'"); }
29599    arg2 = reinterpret_cast< OpenBabel::OBBondIterator * >(argp2); result = (OpenBabel::OBAtom *)(*arg1)->BeginNbrAtom(*arg2);
29600   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
29601   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_NextNbrAtom(SEXP self,SEXP i)29602 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_NextNbrAtom ( SEXP self, SEXP i) { OpenBabel::OBAtom *result = 0 ;
29603   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; OpenBabel::OBBondIterator *arg2 = 0 ;
29604   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
29605   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 );
29606   if (!SWIG_IsOK(res1)) {
29607     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_NextNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29608    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1);
29609   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator,  0 );
29610   if (!SWIG_IsOK(res2)) {
29611     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_NextNbrAtom" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'");  }
29612    if (!argp2) {
29613     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomDFSIter_NextNbrAtom" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'"); }
29614    arg2 = reinterpret_cast< OpenBabel::OBBondIterator * >(argp2); result = (OpenBabel::OBAtom *)(*arg1)->NextNbrAtom(*arg2);
29615   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
29616   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_GetDistance__SWIG_0(SEXP self,SEXP index,SEXP s_swig_copy)29617 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_GetDistance__SWIG_0 ( SEXP self, SEXP index, SEXP s_swig_copy) { double result;
29618   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
29619   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29620   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29621     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetDistance" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29622    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); arg2 = static_cast< int >(INTEGER(index)[0]);
29623   result = (double)(*arg1)->GetDistance(arg2); r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax);
29624   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_GetDistance__SWIG_1(SEXP self,SEXP s_arg2,SEXP s_swig_copy)29625 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_GetDistance__SWIG_1 ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { double result;
29626   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
29627   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
29628   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 );
29629   if (!SWIG_IsOK(res1)) {
29630     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetDistance" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29631    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1);
29632   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
29633     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_GetDistance" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
29634    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (double)(*arg1)->GetDistance(arg2);
29635   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
29636   return r_ans; }
R_swig_OBMolAtomDFSIter_GetDistance__SWIG_2(SEXP self,SEXP v,SEXP s_swig_copy)29637 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_GetDistance__SWIG_2 ( SEXP self, SEXP v, SEXP s_swig_copy) { double result;
29638   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; OpenBabel::vector3 *arg2 = (OpenBabel::vector3 *) 0 ;
29639   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
29640   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 );
29641   if (!SWIG_IsOK(res1)) {
29642     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetDistance" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29643    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1);
29644   res2 = SWIG_R_ConvertPtr(v, &argp2, SWIGTYPE_p_OpenBabel__vector3, 0 |  0 ); if (!SWIG_IsOK(res2)) {
29645     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_GetDistance" "', argument " "2"" of type '" "OpenBabel::vector3 *""'");  }
29646    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2); result = (double)(*arg1)->GetDistance(arg2);
29647   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
29648   return r_ans; }
R_swig_OBMolAtomDFSIter_GetAngle__SWIG_0(SEXP self,SEXP b,SEXP c,SEXP s_swig_copy)29649 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_GetAngle__SWIG_0 ( SEXP self, SEXP b, SEXP c, SEXP s_swig_copy) { double result;
29650   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; int arg2 ; int arg3 ; void *argp1 = 0 ; int res1 = 0 ;
29651   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29652   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29653     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetAngle" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29654    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); arg2 = static_cast< int >(INTEGER(b)[0]);
29655   arg3 = static_cast< int >(INTEGER(c)[0]); result = (double)(*arg1)->GetAngle(arg2,arg3);
29656   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
29657   return r_ans; }
R_swig_OBMolAtomDFSIter_GetAngle__SWIG_1(SEXP self,SEXP b,SEXP c,SEXP s_swig_copy)29658 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_GetAngle__SWIG_1 ( SEXP self, SEXP b, SEXP c, SEXP s_swig_copy) { double result;
29659   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
29660   OpenBabel::OBAtom *arg3 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
29661   void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29662   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29663     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetAngle" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29664    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1);
29665   res2 = SWIG_R_ConvertPtr(b, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
29666     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_GetAngle" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
29667    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2);
29668   res3 = SWIG_R_ConvertPtr(c, &argp3, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res3)) {
29669     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBMolAtomDFSIter_GetAngle" "', argument " "3"" of type '" "OpenBabel::OBAtom *""'");  }
29670    arg3 = reinterpret_cast< OpenBabel::OBAtom * >(argp3); result = (double)(*arg1)->GetAngle(arg2,arg3);
29671   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
29672   return r_ans; }
R_swig_OBMolAtomDFSIter_NewResidue(SEXP self)29673 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_NewResidue ( SEXP self) {
29674   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29675   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29676   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29677     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_NewResidue" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29678    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); (*arg1)->NewResidue(); r_ans = R_NilValue; vmaxset(r_vmax);
29679   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_AddResidue(SEXP self,SEXP res)29680 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_AddResidue ( SEXP self, SEXP res) {
29681   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ;
29682   OpenBabel::OBResidue *arg2 = (OpenBabel::OBResidue *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
29683   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29684   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29685     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_AddResidue" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29686    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1);
29687   res2 = SWIG_R_ConvertPtr(res, &argp2, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 ); if (!SWIG_IsOK(res2)) {
29688     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_AddResidue" "', argument " "2"" of type '" "OpenBabel::OBResidue *""'");  }
29689    arg2 = reinterpret_cast< OpenBabel::OBResidue * >(argp2); (*arg1)->AddResidue(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
29690   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_DeleteResidue(SEXP self)29691 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_DeleteResidue ( SEXP self) {
29692   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29693   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29694   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29695     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_DeleteResidue" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29696    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); (*arg1)->DeleteResidue(); r_ans = R_NilValue;
29697   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_AddBond(SEXP self,SEXP bond)29698 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_AddBond ( SEXP self, SEXP bond) {
29699   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; OpenBabel::OBBond *arg2 = (OpenBabel::OBBond *) 0 ;
29700   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
29701   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 );
29702   if (!SWIG_IsOK(res1)) {
29703     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_AddBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29704    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1);
29705   res2 = SWIG_R_ConvertPtr(bond, &argp2, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res2)) {
29706     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_AddBond" "', argument " "2"" of type '" "OpenBabel::OBBond *""'");  }
29707    arg2 = reinterpret_cast< OpenBabel::OBBond * >(argp2); (*arg1)->AddBond(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
29708   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_InsertBond(SEXP self,SEXP i,SEXP bond)29709 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_InsertBond ( SEXP self, SEXP i, SEXP bond) {
29710   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; OpenBabel::OBBondIterator *arg2 = 0 ;
29711   OpenBabel::OBBond *arg3 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
29712   void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29713   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29714     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_InsertBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29715    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1);
29716   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator,  0 );
29717   if (!SWIG_IsOK(res2)) {
29718     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_InsertBond" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'");  }
29719    if (!argp2) {
29720     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomDFSIter_InsertBond" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'"); }
29721    arg2 = reinterpret_cast< OpenBabel::OBBondIterator * >(argp2);
29722   res3 = SWIG_R_ConvertPtr(bond, &argp3, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res3)) {
29723     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBMolAtomDFSIter_InsertBond" "', argument " "3"" of type '" "OpenBabel::OBBond *""'");  }
29724    arg3 = reinterpret_cast< OpenBabel::OBBond * >(argp3); (*arg1)->InsertBond(*arg2,arg3); r_ans = R_NilValue; vmaxset(r_vmax);
29725   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_DeleteBond(SEXP self,SEXP bond,SEXP s_swig_copy)29726 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_DeleteBond ( SEXP self, SEXP bond, SEXP s_swig_copy) { bool result;
29727   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; OpenBabel::OBBond *arg2 = (OpenBabel::OBBond *) 0 ;
29728   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
29729   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 );
29730   if (!SWIG_IsOK(res1)) {
29731     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_DeleteBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29732    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1);
29733   res2 = SWIG_R_ConvertPtr(bond, &argp2, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res2)) {
29734     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_DeleteBond" "', argument " "2"" of type '" "OpenBabel::OBBond *""'");  }
29735    arg2 = reinterpret_cast< OpenBabel::OBBond * >(argp2); result = (bool)(*arg1)->DeleteBond(arg2);
29736   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_ClearBond(SEXP self)29737 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_ClearBond ( SEXP self) {
29738   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29739   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29740   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29741     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_ClearBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29742    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); (*arg1)->ClearBond(); r_ans = R_NilValue; vmaxset(r_vmax);
29743   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_HtoMethyl(SEXP self,SEXP s_swig_copy)29744 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_HtoMethyl ( SEXP self, SEXP s_swig_copy) { bool result;
29745   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29746   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29747   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29748     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_HtoMethyl" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29749    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (bool)(*arg1)->HtoMethyl();
29750   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_SetHybAndGeom(SEXP self,SEXP s_arg2,SEXP s_swig_copy)29751 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_SetHybAndGeom ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
29752   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
29753   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29754   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29755     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_SetHybAndGeom" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29756    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
29757   result = (bool)(*arg1)->SetHybAndGeom(arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
29758   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_ForceNoH(SEXP self)29759 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_ForceNoH ( SEXP self) {
29760   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29761   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29762   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29763     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_ForceNoH" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29764    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); (*arg1)->ForceNoH(); r_ans = R_NilValue; vmaxset(r_vmax);
29765   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_HasNoHForced(SEXP self,SEXP s_swig_copy)29766 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_HasNoHForced ( SEXP self, SEXP s_swig_copy) { bool result;
29767   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29768   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29769   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29770     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_HasNoHForced" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29771    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (bool)(*arg1)->HasNoHForced();
29772   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_ForceImplH(SEXP self)29773 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_ForceImplH ( SEXP self) {
29774   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29775   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29776   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29777     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_ForceImplH" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29778    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); (*arg1)->ForceImplH(); r_ans = R_NilValue; vmaxset(r_vmax);
29779   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_HasImplHForced(SEXP self,SEXP s_swig_copy)29780 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_HasImplHForced ( SEXP self, SEXP s_swig_copy) { bool result;
29781   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29782   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29783   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29784     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_HasImplHForced" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29785    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (bool)(*arg1)->HasImplHForced();
29786   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_CountFreeOxygens(SEXP self,SEXP s_swig_copy)29787 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_CountFreeOxygens ( SEXP self, SEXP s_swig_copy) { unsigned int result;
29788   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29789   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29790   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29791     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_CountFreeOxygens" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const *""'");  }
29792    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (unsigned int)(*arg1)->CountFreeOxygens();
29793   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_CountFreeSulfurs(SEXP self,SEXP s_swig_copy)29794 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_CountFreeSulfurs ( SEXP self, SEXP s_swig_copy) { unsigned int result;
29795   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29796   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29797   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29798     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_CountFreeSulfurs" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const *""'");  }
29799    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (unsigned int)(*arg1)->CountFreeSulfurs();
29800   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_ImplicitHydrogenCount(SEXP self,SEXP s_swig_copy)29801 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_ImplicitHydrogenCount ( SEXP self, SEXP s_swig_copy) { unsigned int result;
29802   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29803   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29804   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29805     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_ImplicitHydrogenCount" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const *""'");  }
29806    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (unsigned int)(*arg1)->ImplicitHydrogenCount();
29807   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_ExplicitHydrogenCount__SWIG_0(SEXP self,SEXP ExcludeIsotopes,SEXP s_swig_copy)29808 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_ExplicitHydrogenCount__SWIG_0 ( SEXP self, SEXP ExcludeIsotopes, SEXP s_swig_copy) {
29809   unsigned int result; OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; bool arg2 ; void *argp1 = 0 ;
29810   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29811   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29812     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_ExplicitHydrogenCount" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const *""'");  }
29813    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); arg2 = LOGICAL(ExcludeIsotopes)[0] ? true : false;
29814   result = (unsigned int)(*arg1)->ExplicitHydrogenCount(arg2); r_ans = SWIG_From_int(static_cast< int >(result));
29815   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_ExplicitHydrogenCount__SWIG_1(SEXP self,SEXP s_swig_copy)29816 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_ExplicitHydrogenCount__SWIG_1 ( SEXP self, SEXP s_swig_copy) { unsigned int result;
29817   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29818   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29819   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29820     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_ExplicitHydrogenCount" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const *""'");  }
29821    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (unsigned int)(*arg1)->ExplicitHydrogenCount();
29822   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_MemberOfRingCount(SEXP self,SEXP s_swig_copy)29823 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_MemberOfRingCount ( SEXP self, SEXP s_swig_copy) { unsigned int result;
29824   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29825   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29826   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29827     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_MemberOfRingCount" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const *""'");  }
29828    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (unsigned int)(*arg1)->MemberOfRingCount();
29829   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_MemberOfRingSize(SEXP self,SEXP s_swig_copy)29830 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_MemberOfRingSize ( SEXP self, SEXP s_swig_copy) { unsigned int result;
29831   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29832   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29833   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29834     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_MemberOfRingSize" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const *""'");  }
29835    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (unsigned int)(*arg1)->MemberOfRingSize();
29836   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_CountRingBonds(SEXP self,SEXP s_swig_copy)29837 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_CountRingBonds ( SEXP self, SEXP s_swig_copy) { unsigned int result;
29838   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29839   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29840   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29841     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_CountRingBonds" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const *""'");  }
29842    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (unsigned int)(*arg1)->CountRingBonds();
29843   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_SmallestBondAngle(SEXP self,SEXP s_swig_copy)29844 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_SmallestBondAngle ( SEXP self, SEXP s_swig_copy) { double result;
29845   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29846   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29847   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29848     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_SmallestBondAngle" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29849    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (double)(*arg1)->SmallestBondAngle();
29850   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
29851   return r_ans; }
R_swig_OBMolAtomDFSIter_AverageBondAngle(SEXP self,SEXP s_swig_copy)29852 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_AverageBondAngle ( SEXP self, SEXP s_swig_copy) { double result;
29853   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29854   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29855   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29856     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_AverageBondAngle" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29857    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (double)(*arg1)->AverageBondAngle();
29858   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
29859   return r_ans; }
R_swig_OBMolAtomDFSIter_BOSum(SEXP self,SEXP s_swig_copy)29860 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_BOSum ( SEXP self, SEXP s_swig_copy) { unsigned int result;
29861   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29862   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29863   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29864     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_BOSum" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const *""'");  }
29865    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (unsigned int)(*arg1)->BOSum();
29866   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_KBOSum(SEXP self,SEXP s_swig_copy)29867 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_KBOSum ( SEXP self, SEXP s_swig_copy) { unsigned int result;
29868   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29869   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29870   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29871     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_KBOSum" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const *""'");  }
29872    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (unsigned int)(*arg1)->KBOSum();
29873   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_LewisAcidBaseCounts(SEXP self,SEXP s_swig_copy)29874 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_LewisAcidBaseCounts ( SEXP self, SEXP s_swig_copy) {
29875   SwigValueWrapper< std::pair< int,int > > result; OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ;
29876   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29877   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29878     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_LewisAcidBaseCounts" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const *""'");  }
29879    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (*arg1)->LewisAcidBaseCounts();
29880   r_ans = SWIG_R_NewPointerObj((new std::pair< int,int >(static_cast< const std::pair< int,int >& >(result))), SWIGTYPE_p_std__pairT_int_int_t, SWIG_POINTER_OWN |  0 );
29881   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_HasResidue(SEXP self,SEXP s_swig_copy)29882 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_HasResidue ( SEXP self, SEXP s_swig_copy) { bool result;
29883   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29884   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29885   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29886     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_HasResidue" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29887    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (bool)(*arg1)->HasResidue();
29888   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_IsCarbon(SEXP self,SEXP s_swig_copy)29889 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_IsCarbon ( SEXP self, SEXP s_swig_copy) { bool result;
29890   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29891   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29892   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29893     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_IsCarbon" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29894    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (bool)(*arg1)->IsCarbon();
29895   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_IsNitrogen(SEXP self,SEXP s_swig_copy)29896 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_IsNitrogen ( SEXP self, SEXP s_swig_copy) { bool result;
29897   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29898   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29899   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29900     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_IsNitrogen" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29901    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (bool)(*arg1)->IsNitrogen();
29902   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_IsOxygen(SEXP self,SEXP s_swig_copy)29903 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_IsOxygen ( SEXP self, SEXP s_swig_copy) { bool result;
29904   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29905   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29906   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29907     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_IsOxygen" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29908    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (bool)(*arg1)->IsOxygen();
29909   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_IsSulfur(SEXP self,SEXP s_swig_copy)29910 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_IsSulfur ( SEXP self, SEXP s_swig_copy) { bool result;
29911   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29912   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29913   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29914     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_IsSulfur" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29915    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (bool)(*arg1)->IsSulfur();
29916   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_IsPhosphorus(SEXP self,SEXP s_swig_copy)29917 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_IsPhosphorus ( SEXP self, SEXP s_swig_copy) { bool result;
29918   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29919   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29920   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29921     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_IsPhosphorus" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29922    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (bool)(*arg1)->IsPhosphorus();
29923   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_IsAromatic(SEXP self,SEXP s_swig_copy)29924 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_IsAromatic ( SEXP self, SEXP s_swig_copy) { bool result;
29925   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29926   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29927   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29928     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_IsAromatic" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const *""'");  }
29929    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (bool)(*arg1)->IsAromatic();
29930   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_IsInRing(SEXP self,SEXP s_swig_copy)29931 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_IsInRing ( SEXP self, SEXP s_swig_copy) { bool result;
29932   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29933   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29934   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29935     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_IsInRing" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const *""'");  }
29936    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (bool)(*arg1)->IsInRing();
29937   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_IsInRingSize(SEXP self,SEXP s_arg2,SEXP s_swig_copy)29938 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_IsInRingSize ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
29939   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
29940   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29941   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29942     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_IsInRingSize" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const *""'");  }
29943    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
29944   result = (bool)(*arg1)->IsInRingSize(arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
29945   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_IsHeteroatom(SEXP self,SEXP s_swig_copy)29946 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_IsHeteroatom ( SEXP self, SEXP s_swig_copy) { bool result;
29947   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29948   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29949   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29950     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_IsHeteroatom" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29951    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (bool)(*arg1)->IsHeteroatom();
29952   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_IsNotCorH(SEXP self,SEXP s_swig_copy)29953 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_IsNotCorH ( SEXP self, SEXP s_swig_copy) { bool result;
29954   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29955   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29956   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29957     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_IsNotCorH" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29958    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (bool)(*arg1)->IsNotCorH();
29959   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_IsConnected(SEXP self,SEXP s_arg2,SEXP s_swig_copy)29960 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_IsConnected ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
29961   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
29962   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
29963   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 );
29964   if (!SWIG_IsOK(res1)) {
29965     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_IsConnected" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29966    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1);
29967   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
29968     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_IsConnected" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
29969    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (bool)(*arg1)->IsConnected(arg2);
29970   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_IsOneThree(SEXP self,SEXP s_arg2,SEXP s_swig_copy)29971 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_IsOneThree ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
29972   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
29973   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
29974   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 );
29975   if (!SWIG_IsOK(res1)) {
29976     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_IsOneThree" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29977    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1);
29978   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
29979     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_IsOneThree" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
29980    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (bool)(*arg1)->IsOneThree(arg2);
29981   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_IsOneFour(SEXP self,SEXP s_arg2,SEXP s_swig_copy)29982 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_IsOneFour ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
29983   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
29984   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
29985   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 );
29986   if (!SWIG_IsOK(res1)) {
29987     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_IsOneFour" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29988    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1);
29989   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
29990     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_IsOneFour" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
29991    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (bool)(*arg1)->IsOneFour(arg2);
29992   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_IsCarboxylOxygen(SEXP self,SEXP s_swig_copy)29993 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_IsCarboxylOxygen ( SEXP self, SEXP s_swig_copy) { bool result;
29994   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
29995   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
29996   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
29997     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_IsCarboxylOxygen" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
29998    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (bool)(*arg1)->IsCarboxylOxygen();
29999   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_IsThiocarboxylSulfur(SEXP self,SEXP s_swig_copy)30000 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_IsThiocarboxylSulfur ( SEXP self, SEXP s_swig_copy) { bool result;
30001   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30002   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30003   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30004     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_IsThiocarboxylSulfur" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30005    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (bool)(*arg1)->IsThiocarboxylSulfur();
30006   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_IsPhosphateOxygen(SEXP self,SEXP s_swig_copy)30007 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_IsPhosphateOxygen ( SEXP self, SEXP s_swig_copy) { bool result;
30008   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30009   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30010   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30011     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_IsPhosphateOxygen" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30012    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (bool)(*arg1)->IsPhosphateOxygen();
30013   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_IsSulfateOxygen(SEXP self,SEXP s_swig_copy)30014 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_IsSulfateOxygen ( SEXP self, SEXP s_swig_copy) { bool result;
30015   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30016   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30017   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30018     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_IsSulfateOxygen" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30019    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (bool)(*arg1)->IsSulfateOxygen();
30020   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_IsNitroOxygen(SEXP self,SEXP s_swig_copy)30021 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_IsNitroOxygen ( SEXP self, SEXP s_swig_copy) { bool result;
30022   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30023   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30024   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30025     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_IsNitroOxygen" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30026    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (bool)(*arg1)->IsNitroOxygen();
30027   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_IsAmideNitrogen(SEXP self,SEXP s_swig_copy)30028 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_IsAmideNitrogen ( SEXP self, SEXP s_swig_copy) { bool result;
30029   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30030   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30031   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30032     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_IsAmideNitrogen" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30033    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (bool)(*arg1)->IsAmideNitrogen();
30034   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_IsPolarHydrogen(SEXP self,SEXP s_swig_copy)30035 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_IsPolarHydrogen ( SEXP self, SEXP s_swig_copy) { bool result;
30036   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30037   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30038   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30039     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_IsPolarHydrogen" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30040    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (bool)(*arg1)->IsPolarHydrogen();
30041   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_IsNonPolarHydrogen(SEXP self,SEXP s_swig_copy)30042 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_IsNonPolarHydrogen ( SEXP self, SEXP s_swig_copy) { bool result;
30043   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30044   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30045   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30046     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_IsNonPolarHydrogen" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30047    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (bool)(*arg1)->IsNonPolarHydrogen();
30048   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_IsAromaticNOxide(SEXP self,SEXP s_swig_copy)30049 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_IsAromaticNOxide ( SEXP self, SEXP s_swig_copy) { bool result;
30050   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30051   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30052   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30053     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_IsAromaticNOxide" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30054    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (bool)(*arg1)->IsAromaticNOxide();
30055   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_IsChiral(SEXP self,SEXP s_swig_copy)30056 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_IsChiral ( SEXP self, SEXP s_swig_copy) { bool result;
30057   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30058   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30059   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30060     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_IsChiral" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30061    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (bool)(*arg1)->IsChiral();
30062   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_IsAxial(SEXP self,SEXP s_swig_copy)30063 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_IsAxial ( SEXP self, SEXP s_swig_copy) { bool result;
30064   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30065   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30066   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30067     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_IsAxial" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30068    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (bool)(*arg1)->IsAxial();
30069   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_IsClockwise(SEXP self,SEXP s_swig_copy)30070 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_IsClockwise ( SEXP self, SEXP s_swig_copy) { bool result;
30071   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30072   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30073   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30074     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_IsClockwise" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30075    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (bool)(*arg1)->IsClockwise();
30076   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_IsAntiClockwise(SEXP self,SEXP s_swig_copy)30077 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_IsAntiClockwise ( SEXP self, SEXP s_swig_copy) { bool result;
30078   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30079   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30080   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30081     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_IsAntiClockwise" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30082    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (bool)(*arg1)->IsAntiClockwise();
30083   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_IsPositiveStereo(SEXP self,SEXP s_swig_copy)30084 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_IsPositiveStereo ( SEXP self, SEXP s_swig_copy) { bool result;
30085   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30086   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30087   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30088     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_IsPositiveStereo" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30089    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (bool)(*arg1)->IsPositiveStereo();
30090   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_IsNegativeStereo(SEXP self,SEXP s_swig_copy)30091 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_IsNegativeStereo ( SEXP self, SEXP s_swig_copy) { bool result;
30092   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30093   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30094   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30095     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_IsNegativeStereo" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30096    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (bool)(*arg1)->IsNegativeStereo();
30097   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_HasChiralitySpecified(SEXP self,SEXP s_swig_copy)30098 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_HasChiralitySpecified ( SEXP self, SEXP s_swig_copy) { bool result;
30099   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30100   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30101   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30102     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_HasChiralitySpecified" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30103    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (bool)(*arg1)->HasChiralitySpecified();
30104   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_HasChiralVolume(SEXP self,SEXP s_swig_copy)30105 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_HasChiralVolume ( SEXP self, SEXP s_swig_copy) { bool result;
30106   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30107   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30108   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30109     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_HasChiralVolume" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30110    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (bool)(*arg1)->HasChiralVolume();
30111   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_IsHbondAcceptor(SEXP self,SEXP s_swig_copy)30112 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_IsHbondAcceptor ( SEXP self, SEXP s_swig_copy) { bool result;
30113   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30114   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30115   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30116     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_IsHbondAcceptor" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30117    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (bool)(*arg1)->IsHbondAcceptor();
30118   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_IsHbondDonor(SEXP self,SEXP s_swig_copy)30119 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_IsHbondDonor ( SEXP self, SEXP s_swig_copy) { bool result;
30120   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30121   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30122   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30123     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_IsHbondDonor" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30124    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (bool)(*arg1)->IsHbondDonor();
30125   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_IsHbondDonorH(SEXP self,SEXP s_swig_copy)30126 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_IsHbondDonorH ( SEXP self, SEXP s_swig_copy) { bool result;
30127   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30128   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30129   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30130     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_IsHbondDonorH" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30131    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (bool)(*arg1)->IsHbondDonorH();
30132   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_IsMetal(SEXP self,SEXP s_swig_copy)30133 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_IsMetal ( SEXP self, SEXP s_swig_copy) { bool result;
30134   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30135   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30136   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30137     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_IsMetal" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30138    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (bool)(*arg1)->IsMetal();
30139   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_HasAlphaBetaUnsat__SWIG_0(SEXP self,SEXP includePandS,SEXP s_swig_copy)30140 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_HasAlphaBetaUnsat__SWIG_0 ( SEXP self, SEXP includePandS, SEXP s_swig_copy) {
30141   bool result; OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; bool arg2 ; void *argp1 = 0 ;
30142   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30143   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30144     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_HasAlphaBetaUnsat" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30145    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); arg2 = LOGICAL(includePandS)[0] ? true : false;
30146   result = (bool)(*arg1)->HasAlphaBetaUnsat(arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
30147   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_HasAlphaBetaUnsat__SWIG_1(SEXP self,SEXP s_swig_copy)30148 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_HasAlphaBetaUnsat__SWIG_1 ( SEXP self, SEXP s_swig_copy) { bool result;
30149   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30150   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30151   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30152     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_HasAlphaBetaUnsat" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30153    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (bool)(*arg1)->HasAlphaBetaUnsat();
30154   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_HasBondOfOrder(SEXP self,SEXP bo,SEXP s_swig_copy)30155 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_HasBondOfOrder ( SEXP self, SEXP bo, SEXP s_swig_copy) { bool result;
30156   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
30157   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30158   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30159     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_HasBondOfOrder" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30160    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); ecode2 = SWIG_AsVal_int(bo, &val2);
30161   if (!SWIG_IsOK(ecode2)) {
30162     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomDFSIter_HasBondOfOrder" "', argument " "2"" of type '" "unsigned int""'"); }
30163     arg2 = static_cast< unsigned int >(val2); result = (bool)(*arg1)->HasBondOfOrder(arg2); r_ans = Rf_ScalarLogical(result);
30164   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_CountBondsOfOrder(SEXP self,SEXP bo,SEXP s_swig_copy)30165 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_CountBondsOfOrder ( SEXP self, SEXP bo, SEXP s_swig_copy) { int result;
30166   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
30167   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30168   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30169     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_CountBondsOfOrder" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30170    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); ecode2 = SWIG_AsVal_int(bo, &val2);
30171   if (!SWIG_IsOK(ecode2)) {
30172     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomDFSIter_CountBondsOfOrder" "', argument " "2"" of type '" "unsigned int""'"); }
30173     arg2 = static_cast< unsigned int >(val2); result = (int)(*arg1)->CountBondsOfOrder(arg2); r_ans = Rf_ScalarInteger(result);
30174   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_HasNonSingleBond(SEXP self,SEXP s_swig_copy)30175 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_HasNonSingleBond ( SEXP self, SEXP s_swig_copy) { bool result;
30176   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30177   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30178   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30179     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_HasNonSingleBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30180    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (bool)(*arg1)->HasNonSingleBond();
30181   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_HasSingleBond(SEXP self,SEXP s_swig_copy)30182 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_HasSingleBond ( SEXP self, SEXP s_swig_copy) { bool result;
30183   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30184   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30185   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30186     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_HasSingleBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30187    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (bool)(*arg1)->HasSingleBond();
30188   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_HasDoubleBond(SEXP self,SEXP s_swig_copy)30189 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_HasDoubleBond ( SEXP self, SEXP s_swig_copy) { bool result;
30190   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30191   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30192   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30193     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_HasDoubleBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30194    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (bool)(*arg1)->HasDoubleBond();
30195   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_HasAromaticBond(SEXP self,SEXP s_swig_copy)30196 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_HasAromaticBond ( SEXP self, SEXP s_swig_copy) { bool result;
30197   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30198   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30199   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30200     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_HasAromaticBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30201    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (bool)(*arg1)->HasAromaticBond();
30202   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_MatchesSMARTS(SEXP self,SEXP s_arg2,SEXP s_swig_copy)30203 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_MatchesSMARTS ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
30204   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; char *arg2 = (char *) 0 ; void *argp1 = 0 ;
30205   int res1 = 0 ; int res2 ; char *buf2 = 0 ; int alloc2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
30206   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 );
30207   if (!SWIG_IsOK(res1)) {
30208     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_MatchesSMARTS" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30209    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); res2 = SWIG_AsCharPtrAndSize(s_arg2, &buf2, NULL, &alloc2);
30210   if (!SWIG_IsOK(res2)) {
30211     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_MatchesSMARTS" "', argument " "2"" of type '" "char const *""'"); }
30212    arg2 = reinterpret_cast< char * >(buf2); result = (bool)(*arg1)->MatchesSMARTS((char const *)arg2);
30213   r_ans = Rf_ScalarLogical(result); if (alloc2 == SWIG_NEWOBJ) delete[] buf2; vmaxset(r_vmax);
30214   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_Clear(SEXP self,SEXP s_swig_copy)30215 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_Clear ( SEXP self, SEXP s_swig_copy) { bool result;
30216   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30217   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30218   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30219     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_Clear" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30220    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (bool)(*arg1)->Clear();
30221   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_DoTransformations(SEXP self,SEXP s_arg2,SEXP s_arg3)30222 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_DoTransformations ( SEXP self, SEXP s_arg2, SEXP s_arg3) {
30223   OpenBabel::OBBase *result = 0 ; OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ;
30224   std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > *arg2 = (std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > *) 0 ;
30225   OpenBabel::OBConversion *arg3 = (OpenBabel::OBConversion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
30226   int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
30227   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 );
30228   if (!SWIG_IsOK(res1)) {
30229     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_DoTransformations" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30230    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1);
30231   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_std__mapT_std__string_std__string_std__lessT_std__string_t_std__allocatorT_std__pairT_std__string_const_std__string_t_t_t, 0 |  0 );
30232   if (!SWIG_IsOK(res2)) {
30233     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_DoTransformations" "', argument " "2"" of type '" "std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > const *""'");  }
30234 
30235   arg2 = reinterpret_cast< std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > * >(argp2);
30236   res3 = SWIG_R_ConvertPtr(s_arg3, &argp3, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res3)) {
30237     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBMolAtomDFSIter_DoTransformations" "', argument " "3"" of type '" "OpenBabel::OBConversion *""'");  }
30238    arg3 = reinterpret_cast< OpenBabel::OBConversion * >(argp3);
30239   result = (OpenBabel::OBBase *)(*arg1)->DoTransformations((std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > const *)arg2,arg3);
30240   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBase, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
30241   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_ClassDescription(SEXP self)30242 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_ClassDescription ( SEXP self) { char *result = 0 ;
30243   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30244   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30245   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30246     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_ClassDescription" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30247    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (char *)(*arg1)->ClassDescription();
30248   r_ans = SWIG_FromCharPtr((const char *)result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_GetTitle__SWIG_0(SEXP self,SEXP replaceNewlines)30249 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_GetTitle__SWIG_0 ( SEXP self, SEXP replaceNewlines) { char *result = 0 ;
30250   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
30251   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30252   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30253     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetTitle" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const *""'");  }
30254    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); arg2 = LOGICAL(replaceNewlines)[0] ? true : false;
30255   result = (char *)(*arg1)->GetTitle(arg2); r_ans = SWIG_FromCharPtr((const char *)result); vmaxset(r_vmax);
30256   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_GetTitle__SWIG_1(SEXP self)30257 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_GetTitle__SWIG_1 ( SEXP self) { char *result = 0 ;
30258   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30259   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30260   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30261     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetTitle" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const *""'");  }
30262    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (char *)(*arg1)->GetTitle();
30263   r_ans = SWIG_FromCharPtr((const char *)result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_SetTitle(SEXP self,SEXP s_arg2)30264 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_SetTitle ( SEXP self, SEXP s_arg2) {
30265   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; char *arg2 = (char *) 0 ; void *argp1 = 0 ;
30266   int res1 = 0 ; int res2 ; char *buf2 = 0 ; int alloc2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
30267   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 );
30268   if (!SWIG_IsOK(res1)) {
30269     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_SetTitle" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30270    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); res2 = SWIG_AsCharPtrAndSize(s_arg2, &buf2, NULL, &alloc2);
30271   if (!SWIG_IsOK(res2)) {
30272     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_SetTitle" "', argument " "2"" of type '" "char const *""'"); }
30273    arg2 = reinterpret_cast< char * >(buf2); (*arg1)->SetTitle((char const *)arg2); r_ans = R_NilValue;
30274   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_HasData__SWIG_0(SEXP self,SEXP s_arg2,SEXP s_swig_copy)30275 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_HasData__SWIG_0 ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
30276   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ;
30277   int res1 = 0 ; int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30278   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30279     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_HasData" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30280    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); { std::string *ptr = (std::string *)0;
30281     res2 = SWIG_AsPtr_std_string(s_arg2, &ptr); if (!SWIG_IsOK(res2)) {
30282       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_HasData" "', argument " "2"" of type '" "std::string const &""'"); }
30283      if (!ptr) {
30284       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomDFSIter_HasData" "', argument " "2"" of type '" "std::string const &""'"); }
30285      arg2 = ptr; }  result = (bool)(*arg1)->HasData((std::string const &)*arg2); r_ans = Rf_ScalarLogical(result);
30286   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_HasData__SWIG_1(SEXP self,SEXP type,SEXP s_swig_copy)30287 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_HasData__SWIG_1 ( SEXP self, SEXP type, SEXP s_swig_copy) { bool result;
30288   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
30289   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30290   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30291     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_HasData" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30292    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); ecode2 = SWIG_AsVal_int(type, &val2);
30293   if (!SWIG_IsOK(ecode2)) {
30294     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomDFSIter_HasData" "', argument " "2"" of type '" "unsigned int""'"); }
30295     arg2 = static_cast< unsigned int >(val2); result = (bool)(*arg1)->HasData(arg2); r_ans = Rf_ScalarLogical(result);
30296   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_DeleteData__SWIG_0(SEXP self,SEXP type)30297 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_DeleteData__SWIG_0 ( SEXP self, SEXP type) {
30298   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
30299   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30300   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30301     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_DeleteData" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30302    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); ecode2 = SWIG_AsVal_int(type, &val2);
30303   if (!SWIG_IsOK(ecode2)) {
30304     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomDFSIter_DeleteData" "', argument " "2"" of type '" "unsigned int""'"); }
30305     arg2 = static_cast< unsigned int >(val2); (*arg1)->DeleteData(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
30306   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_DeleteData__SWIG_1(SEXP self,SEXP s_arg2)30307 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_DeleteData__SWIG_1 ( SEXP self, SEXP s_arg2) {
30308   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ;
30309   OpenBabel::OBGenericData *arg2 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
30310   int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30311   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30312     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_DeleteData" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30313    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1);
30314   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res2)) {
30315     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_DeleteData" "', argument " "2"" of type '" "OpenBabel::OBGenericData *""'");  }
30316    arg2 = reinterpret_cast< OpenBabel::OBGenericData * >(argp2); (*arg1)->DeleteData(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
30317   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_DeleteData__SWIG_2(SEXP self,SEXP s_arg2)30318 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_DeleteData__SWIG_2 ( SEXP self, SEXP s_arg2) {
30319   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ;
30320   std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > *arg2 = 0 ; void *argp1 = 0 ;
30321   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
30322   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 );
30323   if (!SWIG_IsOK(res1)) {
30324     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_DeleteData" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30325    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1);
30326   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t,  0 );
30327   if (!SWIG_IsOK(res2)) {
30328     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_DeleteData" "', argument " "2"" of type '" "std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > &""'");  }
30329    if (!argp2) {
30330     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomDFSIter_DeleteData" "', argument " "2"" of type '" "std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > &""'"); }
30331    arg2 = reinterpret_cast< std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > * >(argp2);
30332   (*arg1)->DeleteData(*arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_DeleteData__SWIG_3(SEXP self,SEXP s,SEXP s_swig_copy)30333 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_DeleteData__SWIG_3 ( SEXP self, SEXP s, SEXP s_swig_copy) { bool result;
30334   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ;
30335   int res1 = 0 ; int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30336   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30337     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_DeleteData" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30338    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); { std::string *ptr = (std::string *)0;
30339     res2 = SWIG_AsPtr_std_string(s, &ptr); if (!SWIG_IsOK(res2)) {
30340       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_DeleteData" "', argument " "2"" of type '" "std::string const &""'"); }
30341      if (!ptr) {
30342       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomDFSIter_DeleteData" "', argument " "2"" of type '" "std::string const &""'"); }
30343      arg2 = ptr; }  result = (bool)(*arg1)->DeleteData((std::string const &)*arg2); r_ans = Rf_ScalarLogical(result);
30344   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_CloneData(SEXP self,SEXP d)30345 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_CloneData ( SEXP self, SEXP d) {
30346   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ;
30347   OpenBabel::OBGenericData *arg2 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
30348   int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30349   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30350     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_CloneData" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30351    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1);
30352   res2 = SWIG_R_ConvertPtr(d, &argp2, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res2)) {
30353     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_CloneData" "', argument " "2"" of type '" "OpenBabel::OBGenericData *""'");  }
30354    arg2 = reinterpret_cast< OpenBabel::OBGenericData * >(argp2); (*arg1)->CloneData(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
30355   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_DataSize(SEXP self,SEXP s_swig_copy)30356 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_DataSize ( SEXP self, SEXP s_swig_copy) { size_t result;
30357   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30358   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30359   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30360     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_DataSize" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter const *""'");  }
30361    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (*arg1)->DataSize();
30362   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_GetData__SWIG_0(SEXP self,SEXP type)30363 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_GetData__SWIG_0 ( SEXP self, SEXP type) { OpenBabel::OBGenericData *result = 0 ;
30364   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
30365   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30366   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30367     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetData" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30368    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); ecode2 = SWIG_AsVal_int(type, &val2);
30369   if (!SWIG_IsOK(ecode2)) {
30370     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomDFSIter_GetData" "', argument " "2"" of type '" "unsigned int""'"); }
30371     arg2 = static_cast< unsigned int >(val2); result = (OpenBabel::OBGenericData *)(*arg1)->GetData(arg2);
30372   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGenericData, R_SWIG_EXTERNAL |  0 );
30373   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_GetData__SWIG_1(SEXP self,SEXP s_arg2)30374 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_GetData__SWIG_1 ( SEXP self, SEXP s_arg2) { OpenBabel::OBGenericData *result = 0 ;
30375   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ;
30376   int res1 = 0 ; int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30377   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30378     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetData" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30379    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); { std::string *ptr = (std::string *)0;
30380     res2 = SWIG_AsPtr_std_string(s_arg2, &ptr); if (!SWIG_IsOK(res2)) {
30381       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomDFSIter_GetData" "', argument " "2"" of type '" "std::string const &""'"); }
30382      if (!ptr) {
30383       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomDFSIter_GetData" "', argument " "2"" of type '" "std::string const &""'"); }
30384      arg2 = ptr; }  result = (OpenBabel::OBGenericData *)(*arg1)->GetData((std::string const &)*arg2);
30385   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGenericData, R_SWIG_EXTERNAL |  0 );
30386   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_GetData__SWIG_2(SEXP self,SEXP s_swig_copy)30387 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_GetData__SWIG_2 ( SEXP self, SEXP s_swig_copy) {
30388   std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > *result = 0 ;
30389   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30390   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30391   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30392     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetData" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30393    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1);
30394   result = (std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > *) &(*arg1)->GetData();
30395   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t, R_SWIG_EXTERNAL |  0 );
30396   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_GetData__SWIG_3(SEXP self,SEXP source,SEXP s_swig_copy)30397 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_GetData__SWIG_3 ( SEXP self, SEXP source, SEXP s_swig_copy) {
30398   std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > result;
30399   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; OpenBabel::DataOrigin arg2 ; void *argp1 = 0 ;
30400   int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
30401   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 );
30402   if (!SWIG_IsOK(res1)) {
30403     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetData" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30404    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); ecode2 = SWIG_AsVal_int(source, &val2);
30405   if (!SWIG_IsOK(ecode2)) {
30406     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomDFSIter_GetData" "', argument " "2"" of type '" "OpenBabel::DataOrigin""'"); }
30407     arg2 = static_cast< OpenBabel::DataOrigin >(val2); result = (*arg1)->GetData(arg2);
30408   r_ans = swig::from(static_cast< std::vector<OpenBabel::OBGenericData*,std::allocator< OpenBabel::OBGenericData * > > >(result));
30409   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_GetAllData(SEXP self,SEXP type,SEXP s_swig_copy)30410 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_GetAllData ( SEXP self, SEXP type, SEXP s_swig_copy) {
30411   std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > result;
30412   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
30413   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30414   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30415     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_GetAllData" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30416    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); ecode2 = SWIG_AsVal_int(type, &val2);
30417   if (!SWIG_IsOK(ecode2)) {
30418     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomDFSIter_GetAllData" "', argument " "2"" of type '" "unsigned int""'"); }
30419     arg2 = static_cast< unsigned int >(val2); result = (*arg1)->GetAllData(arg2);
30420   r_ans = swig::from(static_cast< std::vector<OpenBabel::OBGenericData*,std::allocator< OpenBabel::OBGenericData * > > >(result));
30421   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_BeginData(SEXP self,SEXP s_swig_copy)30422 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_BeginData ( SEXP self, SEXP s_swig_copy) {
30423   SwigValueWrapper< std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > >::iterator > result;
30424   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30425   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30426   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30427     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_BeginData" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30428    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (*arg1)->BeginData();
30429   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBDataIterator(static_cast< const OpenBabel::OBDataIterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
30430   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomDFSIter_EndData(SEXP self,SEXP s_swig_copy)30431 SWIGEXPORT SEXP R_swig_OBMolAtomDFSIter_EndData ( SEXP self, SEXP s_swig_copy) {
30432   SwigValueWrapper< std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > >::iterator > result;
30433   OpenBabel::OBMolAtomDFSIter *arg1 = (OpenBabel::OBMolAtomDFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30434   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30435   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomDFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30436     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomDFSIter_EndData" "', argument " "1"" of type '" "OpenBabel::OBMolAtomDFSIter *""'");  }
30437    arg1 = reinterpret_cast< OpenBabel::OBMolAtomDFSIter * >(argp1); result = (*arg1)->EndData();
30438   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBDataIterator(static_cast< const OpenBabel::OBDataIterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
30439   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBMolAtomBFSIter__SWIG_0()30440 SWIGEXPORT SEXP R_swig_new_OBMolAtomBFSIter__SWIG_0 ( ) { OpenBabel::OBMolAtomBFSIter *result = 0 ; unsigned int r_nprotect = 0;
30441   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30442   result = (OpenBabel::OBMolAtomBFSIter *)new OpenBabel::OBMolAtomBFSIter();
30443   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, R_SWIG_OWNER |  0 );
30444   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBMolAtomBFSIter__SWIG_1(SEXP mol,SEXP StartIndex)30445 SWIGEXPORT SEXP R_swig_new_OBMolAtomBFSIter__SWIG_1 ( SEXP mol, SEXP StartIndex) { OpenBabel::OBMolAtomBFSIter *result = 0 ;
30446   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
30447   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30448   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30449     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBMolAtomBFSIter" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
30450    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = static_cast< int >(INTEGER(StartIndex)[0]);
30451   result = (OpenBabel::OBMolAtomBFSIter *)new OpenBabel::OBMolAtomBFSIter(arg1,arg2);
30452   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, R_SWIG_OWNER |  0 );
30453   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBMolAtomBFSIter__SWIG_2(SEXP mol)30454 SWIGEXPORT SEXP R_swig_new_OBMolAtomBFSIter__SWIG_2 ( SEXP mol) { OpenBabel::OBMolAtomBFSIter *result = 0 ;
30455   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
30456   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30457   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30458     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBMolAtomBFSIter" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
30459    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
30460   result = (OpenBabel::OBMolAtomBFSIter *)new OpenBabel::OBMolAtomBFSIter(arg1);
30461   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, R_SWIG_OWNER |  0 );
30462   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBMolAtomBFSIter__SWIG_3(SEXP ai)30463 SWIGEXPORT SEXP R_swig_new_OBMolAtomBFSIter__SWIG_3 ( SEXP ai) { OpenBabel::OBMolAtomBFSIter *result = 0 ;
30464   OpenBabel::OBMolAtomBFSIter *arg1 = 0 ; void *argp1 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
30465   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(ai, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter,  0 );
30466   if (!SWIG_IsOK(res1)) {
30467     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBMolAtomBFSIter" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const &""'");  }
30468    if (!argp1) {
30469     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBMolAtomBFSIter" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const &""'"); }
30470    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1);
30471   result = (OpenBabel::OBMolAtomBFSIter *)new OpenBabel::OBMolAtomBFSIter((OpenBabel::OBMolAtomBFSIter const &)*arg1);
30472   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, R_SWIG_OWNER |  0 );
30473   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBMolAtomBFSIter(SEXP self)30474 SWIGEXPORT SEXP R_swig_delete_OBMolAtomBFSIter ( SEXP self) {
30475   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30476   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30477   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, SWIG_POINTER_DISOWN |  0 );
30478   if (!SWIG_IsOK(res1)) {
30479     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBMolAtomBFSIter" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
30480    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
30481   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBMolAtomBFSIter_HasMore(SEXP self,SEXP s_swig_copy)30482 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_HasMore ( SEXP self, SEXP s_swig_copy) { bool result;
30483   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30484   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30485   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30486     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_HasMore" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'");  }
30487    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1);
30488   result = (bool)((OpenBabel::OBMolAtomBFSIter const *)arg1)->operator bool(); r_ans = Rf_ScalarLogical(result);
30489   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_inc__SWIG_0(SEXP self,SEXP s_swig_copy)30490 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_inc__SWIG_0 ( SEXP self, SEXP s_swig_copy) { OpenBabel::OBMolAtomBFSIter *result = 0 ;
30491   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30492   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30493   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30494     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_inc" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
30495    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1);
30496   result = (OpenBabel::OBMolAtomBFSIter *) &(arg1)->operator ++();
30497   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, R_SWIG_EXTERNAL |  0 );
30498   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_inc__SWIG_1(SEXP self,SEXP s_arg2,SEXP s_swig_copy)30499 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_inc__SWIG_1 ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) {
30500   OpenBabel::OBMolAtomBFSIter result; OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; int arg2 ;
30501   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30502   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30503     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_inc" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
30504    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
30505   result = (arg1)->operator ++(arg2);
30506   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBMolAtomBFSIter(static_cast< const OpenBabel::OBMolAtomBFSIter& >(result))), SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, SWIG_POINTER_OWN |  0 );
30507   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter___deref__(SEXP self)30508 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter___deref__ ( SEXP self) { OpenBabel::OBAtom *result = 0 ;
30509   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30510   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30511   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30512     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter___deref__" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'");  }
30513    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1);
30514   result = (OpenBabel::OBAtom *)((OpenBabel::OBMolAtomBFSIter const *)arg1)->operator ->();
30515   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
30516   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter___ref__(SEXP self,SEXP s_swig_copy)30517 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter___ref__ ( SEXP self, SEXP s_swig_copy) { OpenBabel::OBAtom *result = 0 ;
30518   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30519   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30520   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30521     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter___ref__" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'");  }
30522    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1);
30523   result = (OpenBabel::OBAtom *) &((OpenBabel::OBMolAtomBFSIter const *)arg1)->operator *();
30524   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
30525   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_CurrentDepth(SEXP self,SEXP s_swig_copy)30526 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_CurrentDepth ( SEXP self, SEXP s_swig_copy) { int result;
30527   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30528   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30529   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30530     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_CurrentDepth" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'");  }
30531    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1);
30532   result = (int)((OpenBabel::OBMolAtomBFSIter const *)arg1)->CurrentDepth(); r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax);
30533   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_Visit_set(SEXP self,SEXP s_Visit)30534 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_Visit_set ( SEXP self, SEXP s_Visit) {
30535   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
30536   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30537   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30538     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
30539    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); arg2 = LOGICAL(s_Visit)[0] ? true : false;
30540   if (arg1) (*arg1)->Visit = arg2; r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_Visit_get(SEXP self,SEXP s_swig_copy)30541 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_Visit_get ( SEXP self, SEXP s_swig_copy) { bool result;
30542   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30543   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30544   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30545     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
30546    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (bool) ((*arg1)->Visit);
30547   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_Duplicate(SEXP self,SEXP s_arg2)30548 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_Duplicate ( SEXP self, SEXP s_arg2) {
30549   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
30550   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
30551   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 );
30552   if (!SWIG_IsOK(res1)) {
30553     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_Duplicate" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
30554    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1);
30555   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
30556     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_Duplicate" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
30557    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); (*arg1)->Duplicate(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
30558   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_SetIdx(SEXP self,SEXP idx)30559 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_SetIdx ( SEXP self, SEXP idx) {
30560   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
30561   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30562   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30563     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_SetIdx" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
30564    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); arg2 = static_cast< int >(INTEGER(idx)[0]);
30565   (*arg1)->SetIdx(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_SetId(SEXP self,SEXP id)30566 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_SetId ( SEXP self, SEXP id) {
30567   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; unsigned long arg2 ; void *argp1 = 0 ; int res1 = 0 ;
30568   long val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30569   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30570     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_SetId" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
30571    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); ecode2 = SWIG_AsVal_long(id, &val2);
30572   if (!SWIG_IsOK(ecode2)) {
30573     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomBFSIter_SetId" "', argument " "2"" of type '" "unsigned long""'"); }
30574     arg2 = static_cast< unsigned long >(val2); (*arg1)->SetId(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
30575   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_SetHyb(SEXP self,SEXP hyb)30576 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_SetHyb ( SEXP self, SEXP hyb) {
30577   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
30578   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30579   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30580     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_SetHyb" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
30581    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); arg2 = static_cast< int >(INTEGER(hyb)[0]);
30582   (*arg1)->SetHyb(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_SetAtomicNum(SEXP self,SEXP atomicnum)30583 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_SetAtomicNum ( SEXP self, SEXP atomicnum) {
30584   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
30585   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30586   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30587     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_SetAtomicNum" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
30588    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); arg2 = static_cast< int >(INTEGER(atomicnum)[0]);
30589   (*arg1)->SetAtomicNum(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_SetIsotope(SEXP self,SEXP iso)30590 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_SetIsotope ( SEXP self, SEXP iso) {
30591   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
30592   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30593   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30594     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_SetIsotope" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
30595    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); ecode2 = SWIG_AsVal_int(iso, &val2);
30596   if (!SWIG_IsOK(ecode2)) {
30597     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomBFSIter_SetIsotope" "', argument " "2"" of type '" "unsigned int""'"); }
30598     arg2 = static_cast< unsigned int >(val2); (*arg1)->SetIsotope(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
30599   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_SetImplicitValence(SEXP self,SEXP val)30600 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_SetImplicitValence ( SEXP self, SEXP val) {
30601   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
30602   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30603   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30604     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_SetImplicitValence" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
30605    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); arg2 = static_cast< int >(INTEGER(val)[0]);
30606   (*arg1)->SetImplicitValence(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
30607   return r_ans; }
R_swig_OBMolAtomBFSIter_IncrementImplicitValence(SEXP self)30608 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_IncrementImplicitValence ( SEXP self) {
30609   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30610   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30611   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30612     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_IncrementImplicitValence" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
30613    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); (*arg1)->IncrementImplicitValence(); r_ans = R_NilValue;
30614   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_DecrementImplicitValence(SEXP self)30615 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_DecrementImplicitValence ( SEXP self) {
30616   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30617   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30618   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30619     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_DecrementImplicitValence" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
30620    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); (*arg1)->DecrementImplicitValence(); r_ans = R_NilValue;
30621   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_SetFormalCharge(SEXP self,SEXP fcharge)30622 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_SetFormalCharge ( SEXP self, SEXP fcharge) {
30623   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
30624   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30625   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30626     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_SetFormalCharge" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
30627    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); arg2 = static_cast< int >(INTEGER(fcharge)[0]);
30628   (*arg1)->SetFormalCharge(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_SetSpinMultiplicity(SEXP self,SEXP spin)30629 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_SetSpinMultiplicity ( SEXP self, SEXP spin) {
30630   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; short arg2 ; void *argp1 = 0 ; int res1 = 0 ;
30631   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30632   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30633     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_SetSpinMultiplicity" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
30634    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); ecode2 = SWIG_AsVal_int(spin, &val2);
30635   if (!SWIG_IsOK(ecode2)) {
30636     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomBFSIter_SetSpinMultiplicity" "', argument " "2"" of type '" "short""'"); }
30637     arg2 = static_cast< short >(val2); (*arg1)->SetSpinMultiplicity(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
30638   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_SetType(SEXP self,SEXP type)30639 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_SetType ( SEXP self, SEXP type) {
30640   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ;
30641   int res1 = 0 ; int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30642   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30643     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_SetType" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
30644    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); { std::string *ptr = (std::string *)0;
30645     res2 = SWIG_AsPtr_std_string(type, &ptr); if (!SWIG_IsOK(res2)) {
30646       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_SetType" "', argument " "2"" of type '" "std::string const &""'"); }
30647      if (!ptr) {
30648       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomBFSIter_SetType" "', argument " "2"" of type '" "std::string const &""'"); }
30649      arg2 = ptr; }  (*arg1)->SetType((std::string const &)*arg2); r_ans = R_NilValue; if (SWIG_IsNewObj(res2)) delete arg2;
30650   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_SetPartialCharge(SEXP self,SEXP pcharge)30651 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_SetPartialCharge ( SEXP self, SEXP pcharge) {
30652   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; double arg2 ; void *argp1 = 0 ; int res1 = 0 ;
30653   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30654   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30655     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_SetPartialCharge" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
30656    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); arg2 = static_cast< double >(REAL(pcharge)[0]);
30657   (*arg1)->SetPartialCharge(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_SetVector__SWIG_0(SEXP self,SEXP v)30658 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_SetVector__SWIG_0 ( SEXP self, SEXP v) {
30659   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; OpenBabel::vector3 *arg2 = 0 ; void *argp1 = 0 ;
30660   int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
30661   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 );
30662   if (!SWIG_IsOK(res1)) {
30663     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_SetVector" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
30664    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1);
30665   res2 = SWIG_R_ConvertPtr(v, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
30666     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_SetVector" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'");  }
30667    if (!argp2) {
30668     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomBFSIter_SetVector" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'"); }
30669    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2); (*arg1)->SetVector((OpenBabel::vector3 const &)*arg2);
30670   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_SetVector__SWIG_1(SEXP self,SEXP x,SEXP y,SEXP z)30671 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_SetVector__SWIG_1 ( SEXP self, SEXP x, SEXP y, SEXP z) {
30672   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; double arg2 ; double arg3 ; double arg4 ;
30673   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30674   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30675     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_SetVector" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
30676    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); arg2 = static_cast< double >(REAL(x)[0]);
30677   arg3 = static_cast< double >(REAL(y)[0]); arg4 = static_cast< double >(REAL(z)[0]); (*arg1)->SetVector(arg2,arg3,arg4);
30678   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_SetVector__SWIG_2(SEXP self)30679 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_SetVector__SWIG_2 ( SEXP self) {
30680   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30681   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30682   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30683     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_SetVector" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
30684    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); (*arg1)->SetVector(); r_ans = R_NilValue; vmaxset(r_vmax);
30685   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_SetCoordPtr(SEXP self,SEXP c)30686 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_SetCoordPtr ( SEXP self, SEXP c) {
30687   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; double **arg2 = (double **) 0 ; void *argp1 = 0 ;
30688   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
30689   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 );
30690   if (!SWIG_IsOK(res1)) {
30691     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_SetCoordPtr" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
30692    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1);
30693   res2 = SWIG_R_ConvertPtr(c, &argp2, SWIGTYPE_p_p_double, 0 |  0 ); if (!SWIG_IsOK(res2)) {
30694     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_SetCoordPtr" "', argument " "2"" of type '" "double **""'");  }
30695    arg2 = reinterpret_cast< double ** >(argp2); (*arg1)->SetCoordPtr(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
30696   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_SetResidue(SEXP self,SEXP res)30697 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_SetResidue ( SEXP self, SEXP res) {
30698   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ;
30699   OpenBabel::OBResidue *arg2 = (OpenBabel::OBResidue *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
30700   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30701   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30702     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_SetResidue" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
30703    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1);
30704   res2 = SWIG_R_ConvertPtr(res, &argp2, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 ); if (!SWIG_IsOK(res2)) {
30705     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_SetResidue" "', argument " "2"" of type '" "OpenBabel::OBResidue *""'");  }
30706    arg2 = reinterpret_cast< OpenBabel::OBResidue * >(argp2); (*arg1)->SetResidue(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
30707   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_SetParent(SEXP self,SEXP ptr)30708 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_SetParent ( SEXP self, SEXP ptr) {
30709   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ;
30710   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
30711   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 );
30712   if (!SWIG_IsOK(res1)) {
30713     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_SetParent" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
30714    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1);
30715   res2 = SWIG_R_ConvertPtr(ptr, &argp2, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res2)) {
30716     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_SetParent" "', argument " "2"" of type '" "OpenBabel::OBMol *""'");  }
30717    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); (*arg1)->SetParent(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
30718   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_SetAromatic(SEXP self)30719 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_SetAromatic ( SEXP self) {
30720   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30721   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30722   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30723     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_SetAromatic" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
30724    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); (*arg1)->SetAromatic(); r_ans = R_NilValue; vmaxset(r_vmax);
30725   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_UnsetAromatic(SEXP self)30726 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_UnsetAromatic ( SEXP self) {
30727   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30728   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30729   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30730     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_UnsetAromatic" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
30731    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); (*arg1)->UnsetAromatic(); r_ans = R_NilValue;
30732   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_SetClockwiseStereo(SEXP self)30733 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_SetClockwiseStereo ( SEXP self) {
30734   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30735   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30736   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30737     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_SetClockwiseStereo" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
30738    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); (*arg1)->SetClockwiseStereo(); r_ans = R_NilValue;
30739   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_SetAntiClockwiseStereo(SEXP self)30740 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_SetAntiClockwiseStereo ( SEXP self) {
30741   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30742   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30743   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30744     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_SetAntiClockwiseStereo" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
30745    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); (*arg1)->SetAntiClockwiseStereo(); r_ans = R_NilValue;
30746   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_SetPositiveStereo(SEXP self)30747 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_SetPositiveStereo ( SEXP self) {
30748   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30749   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30750   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30751     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_SetPositiveStereo" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
30752    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); (*arg1)->SetPositiveStereo(); r_ans = R_NilValue;
30753   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_SetNegativeStereo(SEXP self)30754 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_SetNegativeStereo ( SEXP self) {
30755   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30756   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30757   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30758     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_SetNegativeStereo" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
30759    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); (*arg1)->SetNegativeStereo(); r_ans = R_NilValue;
30760   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_UnsetStereo(SEXP self)30761 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_UnsetStereo ( SEXP self) {
30762   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30763   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30764   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30765     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_UnsetStereo" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
30766    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); (*arg1)->UnsetStereo(); r_ans = R_NilValue; vmaxset(r_vmax);
30767   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_SetInRing(SEXP self)30768 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_SetInRing ( SEXP self) {
30769   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30770   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30771   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30772     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_SetInRing" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
30773    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); (*arg1)->SetInRing(); r_ans = R_NilValue; vmaxset(r_vmax);
30774   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_SetChiral(SEXP self)30775 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_SetChiral ( SEXP self) {
30776   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30777   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30778   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30779     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_SetChiral" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
30780    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); (*arg1)->SetChiral(); r_ans = R_NilValue; vmaxset(r_vmax);
30781   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_ClearCoordPtr(SEXP self)30782 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_ClearCoordPtr ( SEXP self) {
30783   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30784   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30785   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30786     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_ClearCoordPtr" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
30787    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); (*arg1)->ClearCoordPtr(); r_ans = R_NilValue;
30788   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_GetFormalCharge(SEXP self,SEXP s_swig_copy)30789 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_GetFormalCharge ( SEXP self, SEXP s_swig_copy) { int result;
30790   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30791   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30792   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30793     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetFormalCharge" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'");  }
30794    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (int)(*arg1)->GetFormalCharge();
30795   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_GetAtomicNum(SEXP self,SEXP s_swig_copy)30796 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_GetAtomicNum ( SEXP self, SEXP s_swig_copy) { unsigned int result;
30797   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30798   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30799   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30800     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetAtomicNum" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'");  }
30801    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (unsigned int)(*arg1)->GetAtomicNum();
30802   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_GetIsotope(SEXP self,SEXP s_swig_copy)30803 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_GetIsotope ( SEXP self, SEXP s_swig_copy) { unsigned short result;
30804   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30805   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30806   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30807     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetIsotope" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'");  }
30808    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (unsigned short)(*arg1)->GetIsotope();
30809   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_GetSpinMultiplicity(SEXP self,SEXP s_swig_copy)30810 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_GetSpinMultiplicity ( SEXP self, SEXP s_swig_copy) { int result;
30811   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30812   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30813   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30814     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetSpinMultiplicity" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'");  }
30815    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (int)(*arg1)->GetSpinMultiplicity();
30816   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_GetAtomicMass(SEXP self,SEXP s_swig_copy)30817 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_GetAtomicMass ( SEXP self, SEXP s_swig_copy) { double result;
30818   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30819   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30820   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30821     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetAtomicMass" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'");  }
30822    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (double)(*arg1)->GetAtomicMass();
30823   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
30824   return r_ans; }
R_swig_OBMolAtomBFSIter_GetExactMass(SEXP self,SEXP s_swig_copy)30825 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_GetExactMass ( SEXP self, SEXP s_swig_copy) { double result;
30826   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30827   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30828   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30829     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetExactMass" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'");  }
30830    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (double)(*arg1)->GetExactMass();
30831   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
30832   return r_ans; }
R_swig_OBMolAtomBFSIter_GetIdx(SEXP self,SEXP s_swig_copy)30833 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_GetIdx ( SEXP self, SEXP s_swig_copy) { unsigned int result;
30834   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30835   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30836   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30837     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetIdx" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'");  }
30838    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (unsigned int)(*arg1)->GetIdx();
30839   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_GetIndex(SEXP self,SEXP s_swig_copy)30840 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_GetIndex ( SEXP self, SEXP s_swig_copy) { unsigned int result;
30841   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30842   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30843   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30844     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetIndex" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'");  }
30845    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (unsigned int)(*arg1)->GetIndex();
30846   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_GetId(SEXP self,SEXP s_swig_copy)30847 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_GetId ( SEXP self, SEXP s_swig_copy) { unsigned long result;
30848   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30849   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30850   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30851     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetId" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'");  }
30852    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (unsigned long)(*arg1)->GetId();
30853   r_ans = SWIG_From_long(static_cast< long >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_GetCoordinateIdx(SEXP self,SEXP s_swig_copy)30854 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_GetCoordinateIdx ( SEXP self, SEXP s_swig_copy) { unsigned int result;
30855   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30856   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30857   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30858     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetCoordinateIdx" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'");  }
30859    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (unsigned int)(*arg1)->GetCoordinateIdx();
30860   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_GetCIdx(SEXP self,SEXP s_swig_copy)30861 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_GetCIdx ( SEXP self, SEXP s_swig_copy) { unsigned int result;
30862   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30863   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30864   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30865     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetCIdx" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'");  }
30866    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (unsigned int)(*arg1)->GetCIdx();
30867   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_GetValence(SEXP self,SEXP s_swig_copy)30868 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_GetValence ( SEXP self, SEXP s_swig_copy) { unsigned int result;
30869   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30870   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30871   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30872     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetValence" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'");  }
30873    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (unsigned int)(*arg1)->GetValence();
30874   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_GetHyb(SEXP self,SEXP s_swig_copy)30875 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_GetHyb ( SEXP self, SEXP s_swig_copy) { unsigned int result;
30876   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30877   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30878   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30879     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetHyb" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'");  }
30880    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (unsigned int)(*arg1)->GetHyb();
30881   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_GetImplicitValence(SEXP self,SEXP s_swig_copy)30882 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_GetImplicitValence ( SEXP self, SEXP s_swig_copy) { unsigned int result;
30883   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30884   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30885   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30886     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetImplicitValence" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'");  }
30887    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (unsigned int)(*arg1)->GetImplicitValence();
30888   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_GetHvyValence(SEXP self,SEXP s_swig_copy)30889 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_GetHvyValence ( SEXP self, SEXP s_swig_copy) { unsigned int result;
30890   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30891   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30892   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30893     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetHvyValence" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'");  }
30894    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (unsigned int)(*arg1)->GetHvyValence();
30895   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_GetHeteroValence(SEXP self,SEXP s_swig_copy)30896 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_GetHeteroValence ( SEXP self, SEXP s_swig_copy) { unsigned int result;
30897   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30898   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30899   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30900     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetHeteroValence" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'");  }
30901    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (unsigned int)(*arg1)->GetHeteroValence();
30902   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_GetType(SEXP self)30903 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_GetType ( SEXP self) { char *result = 0 ;
30904   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30905   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30906   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30907     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetType" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
30908    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (char *)(*arg1)->GetType();
30909   r_ans = result ? Rf_mkString(reinterpret_cast< char * >(result)) : R_NilValue; vmaxset(r_vmax);
30910   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_GetX(SEXP self,SEXP s_swig_copy)30911 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_GetX ( SEXP self, SEXP s_swig_copy) { double result;
30912   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30913   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30914   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30915     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetX" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'");  }
30916    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (double)(*arg1)->GetX();
30917   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
30918   return r_ans; }
R_swig_OBMolAtomBFSIter_GetY(SEXP self,SEXP s_swig_copy)30919 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_GetY ( SEXP self, SEXP s_swig_copy) { double result;
30920   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30921   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30922   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30923     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetY" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'");  }
30924    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (double)(*arg1)->GetY();
30925   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
30926   return r_ans; }
R_swig_OBMolAtomBFSIter_GetZ(SEXP self,SEXP s_swig_copy)30927 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_GetZ ( SEXP self, SEXP s_swig_copy) { double result;
30928   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30929   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30930   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30931     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetZ" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'");  }
30932    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (double)(*arg1)->GetZ();
30933   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
30934   return r_ans; }
R_swig_OBMolAtomBFSIter_x(SEXP self,SEXP s_swig_copy)30935 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_x ( SEXP self, SEXP s_swig_copy) { double result;
30936   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30937   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30938   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30939     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_x" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'");  }
30940    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (double)(*arg1)->x();
30941   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
30942   return r_ans; }
R_swig_OBMolAtomBFSIter_y(SEXP self,SEXP s_swig_copy)30943 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_y ( SEXP self, SEXP s_swig_copy) { double result;
30944   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30945   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30946   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30947     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_y" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'");  }
30948    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (double)(*arg1)->y();
30949   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
30950   return r_ans; }
R_swig_OBMolAtomBFSIter_z(SEXP self,SEXP s_swig_copy)30951 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_z ( SEXP self, SEXP s_swig_copy) { double result;
30952   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30953   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30954   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30955     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_z" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'");  }
30956    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (double)(*arg1)->z();
30957   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
30958   return r_ans; }
R_swig_OBMolAtomBFSIter_GetCoordinate(SEXP self)30959 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_GetCoordinate ( SEXP self) { double *result = 0 ;
30960   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30961   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30962   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30963     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetCoordinate" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
30964    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (double *)(*arg1)->GetCoordinate();
30965   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_double, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
30966   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_GetVector(SEXP self,SEXP s_swig_copy)30967 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_GetVector ( SEXP self, SEXP s_swig_copy) { OpenBabel::vector3 *result = 0 ;
30968   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30969   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30970   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30971     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetVector" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
30972    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (OpenBabel::vector3 *) &(*arg1)->GetVector();
30973   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__vector3, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
30974   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_GetPartialCharge(SEXP self,SEXP s_swig_copy)30975 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_GetPartialCharge ( SEXP self, SEXP s_swig_copy) { double result;
30976   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30977   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30978   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30979     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetPartialCharge" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
30980    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (double)(*arg1)->GetPartialCharge();
30981   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
30982   return r_ans; }
R_swig_OBMolAtomBFSIter_GetResidue__SWIG_0(SEXP self)30983 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_GetResidue__SWIG_0 ( SEXP self) { OpenBabel::OBResidue *result = 0 ;
30984   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
30985   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30986   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30987     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetResidue" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
30988    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (OpenBabel::OBResidue *)(*arg1)->GetResidue();
30989   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBResidue, R_SWIG_EXTERNAL |  0 );
30990   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_GetResidue__SWIG_1(SEXP self,SEXP perception)30991 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_GetResidue__SWIG_1 ( SEXP self, SEXP perception) { OpenBabel::OBResidue *result = 0 ;
30992   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
30993   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
30994   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
30995     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetResidue" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
30996    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); arg2 = LOGICAL(perception)[0] ? true : false;
30997   result = (OpenBabel::OBResidue *)(*arg1)->GetResidue(arg2);
30998   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBResidue, R_SWIG_EXTERNAL |  0 );
30999   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_GetParent(SEXP self)31000 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_GetParent ( SEXP self) { OpenBabel::OBMol *result = 0 ;
31001   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31002   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31003   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31004     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetParent" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31005    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (OpenBabel::OBMol *)(*arg1)->GetParent();
31006   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMol, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
31007   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_GetNewBondVector(SEXP self,SEXP v,SEXP length,SEXP s_swig_copy)31008 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_GetNewBondVector ( SEXP self, SEXP v, SEXP length, SEXP s_swig_copy) { bool result;
31009   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; OpenBabel::vector3 *arg2 = 0 ; double arg3 ;
31010   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
31011   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 );
31012   if (!SWIG_IsOK(res1)) {
31013     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetNewBondVector" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31014    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1);
31015   res2 = SWIG_R_ConvertPtr(v, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
31016     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_GetNewBondVector" "', argument " "2"" of type '" "OpenBabel::vector3 &""'");  }
31017    if (!argp2) {
31018     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomBFSIter_GetNewBondVector" "', argument " "2"" of type '" "OpenBabel::vector3 &""'"); }
31019    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2); arg3 = static_cast< double >(REAL(length)[0]);
31020   result = (bool)(*arg1)->GetNewBondVector(*arg2,arg3); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
31021   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_GetBond(SEXP self,SEXP s_arg2)31022 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_GetBond ( SEXP self, SEXP s_arg2) { OpenBabel::OBBond *result = 0 ;
31023   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
31024   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
31025   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 );
31026   if (!SWIG_IsOK(res1)) {
31027     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31028    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1);
31029   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
31030     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_GetBond" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
31031    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (OpenBabel::OBBond *)(*arg1)->GetBond(arg2);
31032   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
31033   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_GetNextAtom(SEXP self)31034 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_GetNextAtom ( SEXP self) { OpenBabel::OBAtom *result = 0 ;
31035   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31036   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31037   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31038     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetNextAtom" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31039    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (OpenBabel::OBAtom *)(*arg1)->GetNextAtom();
31040   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
31041   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_BeginBonds(SEXP self,SEXP s_swig_copy)31042 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_BeginBonds ( SEXP self, SEXP s_swig_copy) {
31043   SwigValueWrapper< std::vector< OpenBabel::OBBond *,std::allocator< OpenBabel::OBBond * > >::iterator > result;
31044   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31045   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31046   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31047     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_BeginBonds" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31048    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (*arg1)->BeginBonds();
31049   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBBondIterator(static_cast< const OpenBabel::OBBondIterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
31050   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_EndBonds(SEXP self,SEXP s_swig_copy)31051 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_EndBonds ( SEXP self, SEXP s_swig_copy) {
31052   SwigValueWrapper< std::vector< OpenBabel::OBBond *,std::allocator< OpenBabel::OBBond * > >::iterator > result;
31053   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31054   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31055   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31056     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_EndBonds" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31057    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (*arg1)->EndBonds();
31058   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBBondIterator(static_cast< const OpenBabel::OBBondIterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
31059   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_BeginBond(SEXP self,SEXP i)31060 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_BeginBond ( SEXP self, SEXP i) { OpenBabel::OBBond *result = 0 ;
31061   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; OpenBabel::OBBondIterator *arg2 = 0 ;
31062   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
31063   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 );
31064   if (!SWIG_IsOK(res1)) {
31065     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_BeginBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31066    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1);
31067   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator,  0 );
31068   if (!SWIG_IsOK(res2)) {
31069     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_BeginBond" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'");  }
31070    if (!argp2) {
31071     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomBFSIter_BeginBond" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'"); }
31072    arg2 = reinterpret_cast< OpenBabel::OBBondIterator * >(argp2); result = (OpenBabel::OBBond *)(*arg1)->BeginBond(*arg2);
31073   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
31074   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_NextBond(SEXP self,SEXP i)31075 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_NextBond ( SEXP self, SEXP i) { OpenBabel::OBBond *result = 0 ;
31076   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; OpenBabel::OBBondIterator *arg2 = 0 ;
31077   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
31078   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 );
31079   if (!SWIG_IsOK(res1)) {
31080     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_NextBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31081    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1);
31082   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator,  0 );
31083   if (!SWIG_IsOK(res2)) {
31084     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_NextBond" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'");  }
31085    if (!argp2) {
31086     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomBFSIter_NextBond" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'"); }
31087    arg2 = reinterpret_cast< OpenBabel::OBBondIterator * >(argp2); result = (OpenBabel::OBBond *)(*arg1)->NextBond(*arg2);
31088   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
31089   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_BeginNbrAtom(SEXP self,SEXP i)31090 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_BeginNbrAtom ( SEXP self, SEXP i) { OpenBabel::OBAtom *result = 0 ;
31091   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; OpenBabel::OBBondIterator *arg2 = 0 ;
31092   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
31093   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 );
31094   if (!SWIG_IsOK(res1)) {
31095     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_BeginNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31096    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1);
31097   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator,  0 );
31098   if (!SWIG_IsOK(res2)) {
31099     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_BeginNbrAtom" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'");  }
31100    if (!argp2) {
31101     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomBFSIter_BeginNbrAtom" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'"); }
31102    arg2 = reinterpret_cast< OpenBabel::OBBondIterator * >(argp2); result = (OpenBabel::OBAtom *)(*arg1)->BeginNbrAtom(*arg2);
31103   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
31104   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_NextNbrAtom(SEXP self,SEXP i)31105 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_NextNbrAtom ( SEXP self, SEXP i) { OpenBabel::OBAtom *result = 0 ;
31106   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; OpenBabel::OBBondIterator *arg2 = 0 ;
31107   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
31108   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 );
31109   if (!SWIG_IsOK(res1)) {
31110     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_NextNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31111    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1);
31112   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator,  0 );
31113   if (!SWIG_IsOK(res2)) {
31114     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_NextNbrAtom" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'");  }
31115    if (!argp2) {
31116     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomBFSIter_NextNbrAtom" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'"); }
31117    arg2 = reinterpret_cast< OpenBabel::OBBondIterator * >(argp2); result = (OpenBabel::OBAtom *)(*arg1)->NextNbrAtom(*arg2);
31118   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
31119   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_GetDistance__SWIG_0(SEXP self,SEXP index,SEXP s_swig_copy)31120 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_GetDistance__SWIG_0 ( SEXP self, SEXP index, SEXP s_swig_copy) { double result;
31121   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
31122   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31123   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31124     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetDistance" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31125    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); arg2 = static_cast< int >(INTEGER(index)[0]);
31126   result = (double)(*arg1)->GetDistance(arg2); r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax);
31127   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_GetDistance__SWIG_1(SEXP self,SEXP s_arg2,SEXP s_swig_copy)31128 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_GetDistance__SWIG_1 ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { double result;
31129   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
31130   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
31131   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 );
31132   if (!SWIG_IsOK(res1)) {
31133     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetDistance" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31134    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1);
31135   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
31136     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_GetDistance" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
31137    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (double)(*arg1)->GetDistance(arg2);
31138   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
31139   return r_ans; }
R_swig_OBMolAtomBFSIter_GetDistance__SWIG_2(SEXP self,SEXP v,SEXP s_swig_copy)31140 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_GetDistance__SWIG_2 ( SEXP self, SEXP v, SEXP s_swig_copy) { double result;
31141   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; OpenBabel::vector3 *arg2 = (OpenBabel::vector3 *) 0 ;
31142   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
31143   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 );
31144   if (!SWIG_IsOK(res1)) {
31145     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetDistance" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31146    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1);
31147   res2 = SWIG_R_ConvertPtr(v, &argp2, SWIGTYPE_p_OpenBabel__vector3, 0 |  0 ); if (!SWIG_IsOK(res2)) {
31148     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_GetDistance" "', argument " "2"" of type '" "OpenBabel::vector3 *""'");  }
31149    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2); result = (double)(*arg1)->GetDistance(arg2);
31150   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
31151   return r_ans; }
R_swig_OBMolAtomBFSIter_GetAngle__SWIG_0(SEXP self,SEXP b,SEXP c,SEXP s_swig_copy)31152 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_GetAngle__SWIG_0 ( SEXP self, SEXP b, SEXP c, SEXP s_swig_copy) { double result;
31153   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; int arg2 ; int arg3 ; void *argp1 = 0 ; int res1 = 0 ;
31154   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31155   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31156     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetAngle" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31157    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); arg2 = static_cast< int >(INTEGER(b)[0]);
31158   arg3 = static_cast< int >(INTEGER(c)[0]); result = (double)(*arg1)->GetAngle(arg2,arg3);
31159   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
31160   return r_ans; }
R_swig_OBMolAtomBFSIter_GetAngle__SWIG_1(SEXP self,SEXP b,SEXP c,SEXP s_swig_copy)31161 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_GetAngle__SWIG_1 ( SEXP self, SEXP b, SEXP c, SEXP s_swig_copy) { double result;
31162   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
31163   OpenBabel::OBAtom *arg3 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
31164   void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31165   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31166     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetAngle" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31167    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1);
31168   res2 = SWIG_R_ConvertPtr(b, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
31169     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_GetAngle" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
31170    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2);
31171   res3 = SWIG_R_ConvertPtr(c, &argp3, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res3)) {
31172     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBMolAtomBFSIter_GetAngle" "', argument " "3"" of type '" "OpenBabel::OBAtom *""'");  }
31173    arg3 = reinterpret_cast< OpenBabel::OBAtom * >(argp3); result = (double)(*arg1)->GetAngle(arg2,arg3);
31174   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
31175   return r_ans; }
R_swig_OBMolAtomBFSIter_NewResidue(SEXP self)31176 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_NewResidue ( SEXP self) {
31177   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31178   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31179   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31180     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_NewResidue" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31181    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); (*arg1)->NewResidue(); r_ans = R_NilValue; vmaxset(r_vmax);
31182   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_AddResidue(SEXP self,SEXP res)31183 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_AddResidue ( SEXP self, SEXP res) {
31184   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ;
31185   OpenBabel::OBResidue *arg2 = (OpenBabel::OBResidue *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
31186   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31187   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31188     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_AddResidue" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31189    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1);
31190   res2 = SWIG_R_ConvertPtr(res, &argp2, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 ); if (!SWIG_IsOK(res2)) {
31191     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_AddResidue" "', argument " "2"" of type '" "OpenBabel::OBResidue *""'");  }
31192    arg2 = reinterpret_cast< OpenBabel::OBResidue * >(argp2); (*arg1)->AddResidue(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
31193   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_DeleteResidue(SEXP self)31194 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_DeleteResidue ( SEXP self) {
31195   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31196   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31197   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31198     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_DeleteResidue" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31199    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); (*arg1)->DeleteResidue(); r_ans = R_NilValue;
31200   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_AddBond(SEXP self,SEXP bond)31201 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_AddBond ( SEXP self, SEXP bond) {
31202   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; OpenBabel::OBBond *arg2 = (OpenBabel::OBBond *) 0 ;
31203   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
31204   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 );
31205   if (!SWIG_IsOK(res1)) {
31206     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_AddBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31207    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1);
31208   res2 = SWIG_R_ConvertPtr(bond, &argp2, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res2)) {
31209     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_AddBond" "', argument " "2"" of type '" "OpenBabel::OBBond *""'");  }
31210    arg2 = reinterpret_cast< OpenBabel::OBBond * >(argp2); (*arg1)->AddBond(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
31211   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_InsertBond(SEXP self,SEXP i,SEXP bond)31212 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_InsertBond ( SEXP self, SEXP i, SEXP bond) {
31213   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; OpenBabel::OBBondIterator *arg2 = 0 ;
31214   OpenBabel::OBBond *arg3 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
31215   void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31216   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31217     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_InsertBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31218    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1);
31219   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator,  0 );
31220   if (!SWIG_IsOK(res2)) {
31221     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_InsertBond" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'");  }
31222    if (!argp2) {
31223     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomBFSIter_InsertBond" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'"); }
31224    arg2 = reinterpret_cast< OpenBabel::OBBondIterator * >(argp2);
31225   res3 = SWIG_R_ConvertPtr(bond, &argp3, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res3)) {
31226     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBMolAtomBFSIter_InsertBond" "', argument " "3"" of type '" "OpenBabel::OBBond *""'");  }
31227    arg3 = reinterpret_cast< OpenBabel::OBBond * >(argp3); (*arg1)->InsertBond(*arg2,arg3); r_ans = R_NilValue; vmaxset(r_vmax);
31228   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_DeleteBond(SEXP self,SEXP bond,SEXP s_swig_copy)31229 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_DeleteBond ( SEXP self, SEXP bond, SEXP s_swig_copy) { bool result;
31230   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; OpenBabel::OBBond *arg2 = (OpenBabel::OBBond *) 0 ;
31231   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
31232   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 );
31233   if (!SWIG_IsOK(res1)) {
31234     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_DeleteBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31235    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1);
31236   res2 = SWIG_R_ConvertPtr(bond, &argp2, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res2)) {
31237     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_DeleteBond" "', argument " "2"" of type '" "OpenBabel::OBBond *""'");  }
31238    arg2 = reinterpret_cast< OpenBabel::OBBond * >(argp2); result = (bool)(*arg1)->DeleteBond(arg2);
31239   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_ClearBond(SEXP self)31240 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_ClearBond ( SEXP self) {
31241   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31242   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31243   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31244     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_ClearBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31245    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); (*arg1)->ClearBond(); r_ans = R_NilValue; vmaxset(r_vmax);
31246   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_HtoMethyl(SEXP self,SEXP s_swig_copy)31247 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_HtoMethyl ( SEXP self, SEXP s_swig_copy) { bool result;
31248   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31249   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31250   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31251     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_HtoMethyl" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31252    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (bool)(*arg1)->HtoMethyl();
31253   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_SetHybAndGeom(SEXP self,SEXP s_arg2,SEXP s_swig_copy)31254 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_SetHybAndGeom ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
31255   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
31256   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31257   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31258     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_SetHybAndGeom" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31259    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
31260   result = (bool)(*arg1)->SetHybAndGeom(arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
31261   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_ForceNoH(SEXP self)31262 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_ForceNoH ( SEXP self) {
31263   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31264   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31265   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31266     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_ForceNoH" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31267    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); (*arg1)->ForceNoH(); r_ans = R_NilValue; vmaxset(r_vmax);
31268   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_HasNoHForced(SEXP self,SEXP s_swig_copy)31269 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_HasNoHForced ( SEXP self, SEXP s_swig_copy) { bool result;
31270   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31271   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31272   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31273     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_HasNoHForced" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31274    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (bool)(*arg1)->HasNoHForced();
31275   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_ForceImplH(SEXP self)31276 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_ForceImplH ( SEXP self) {
31277   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31278   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31279   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31280     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_ForceImplH" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31281    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); (*arg1)->ForceImplH(); r_ans = R_NilValue; vmaxset(r_vmax);
31282   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_HasImplHForced(SEXP self,SEXP s_swig_copy)31283 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_HasImplHForced ( SEXP self, SEXP s_swig_copy) { bool result;
31284   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31285   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31286   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31287     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_HasImplHForced" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31288    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (bool)(*arg1)->HasImplHForced();
31289   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_CountFreeOxygens(SEXP self,SEXP s_swig_copy)31290 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_CountFreeOxygens ( SEXP self, SEXP s_swig_copy) { unsigned int result;
31291   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31292   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31293   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31294     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_CountFreeOxygens" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'");  }
31295    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (unsigned int)(*arg1)->CountFreeOxygens();
31296   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_CountFreeSulfurs(SEXP self,SEXP s_swig_copy)31297 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_CountFreeSulfurs ( SEXP self, SEXP s_swig_copy) { unsigned int result;
31298   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31299   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31300   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31301     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_CountFreeSulfurs" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'");  }
31302    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (unsigned int)(*arg1)->CountFreeSulfurs();
31303   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_ImplicitHydrogenCount(SEXP self,SEXP s_swig_copy)31304 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_ImplicitHydrogenCount ( SEXP self, SEXP s_swig_copy) { unsigned int result;
31305   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31306   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31307   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31308     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_ImplicitHydrogenCount" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'");  }
31309    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (unsigned int)(*arg1)->ImplicitHydrogenCount();
31310   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_ExplicitHydrogenCount__SWIG_0(SEXP self,SEXP ExcludeIsotopes,SEXP s_swig_copy)31311 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_ExplicitHydrogenCount__SWIG_0 ( SEXP self, SEXP ExcludeIsotopes, SEXP s_swig_copy) {
31312   unsigned int result; OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; bool arg2 ; void *argp1 = 0 ;
31313   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31314   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31315     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_ExplicitHydrogenCount" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'");  }
31316    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); arg2 = LOGICAL(ExcludeIsotopes)[0] ? true : false;
31317   result = (unsigned int)(*arg1)->ExplicitHydrogenCount(arg2); r_ans = SWIG_From_int(static_cast< int >(result));
31318   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_ExplicitHydrogenCount__SWIG_1(SEXP self,SEXP s_swig_copy)31319 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_ExplicitHydrogenCount__SWIG_1 ( SEXP self, SEXP s_swig_copy) { unsigned int result;
31320   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31321   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31322   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31323     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_ExplicitHydrogenCount" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'");  }
31324    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (unsigned int)(*arg1)->ExplicitHydrogenCount();
31325   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_MemberOfRingCount(SEXP self,SEXP s_swig_copy)31326 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_MemberOfRingCount ( SEXP self, SEXP s_swig_copy) { unsigned int result;
31327   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31328   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31329   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31330     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_MemberOfRingCount" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'");  }
31331    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (unsigned int)(*arg1)->MemberOfRingCount();
31332   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_MemberOfRingSize(SEXP self,SEXP s_swig_copy)31333 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_MemberOfRingSize ( SEXP self, SEXP s_swig_copy) { unsigned int result;
31334   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31335   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31336   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31337     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_MemberOfRingSize" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'");  }
31338    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (unsigned int)(*arg1)->MemberOfRingSize();
31339   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_CountRingBonds(SEXP self,SEXP s_swig_copy)31340 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_CountRingBonds ( SEXP self, SEXP s_swig_copy) { unsigned int result;
31341   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31342   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31343   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31344     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_CountRingBonds" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'");  }
31345    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (unsigned int)(*arg1)->CountRingBonds();
31346   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_SmallestBondAngle(SEXP self,SEXP s_swig_copy)31347 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_SmallestBondAngle ( SEXP self, SEXP s_swig_copy) { double result;
31348   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31349   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31350   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31351     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_SmallestBondAngle" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31352    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (double)(*arg1)->SmallestBondAngle();
31353   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
31354   return r_ans; }
R_swig_OBMolAtomBFSIter_AverageBondAngle(SEXP self,SEXP s_swig_copy)31355 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_AverageBondAngle ( SEXP self, SEXP s_swig_copy) { double result;
31356   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31357   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31358   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31359     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_AverageBondAngle" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31360    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (double)(*arg1)->AverageBondAngle();
31361   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
31362   return r_ans; }
R_swig_OBMolAtomBFSIter_BOSum(SEXP self,SEXP s_swig_copy)31363 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_BOSum ( SEXP self, SEXP s_swig_copy) { unsigned int result;
31364   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31365   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31366   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31367     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_BOSum" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'");  }
31368    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (unsigned int)(*arg1)->BOSum();
31369   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_KBOSum(SEXP self,SEXP s_swig_copy)31370 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_KBOSum ( SEXP self, SEXP s_swig_copy) { unsigned int result;
31371   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31372   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31373   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31374     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_KBOSum" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'");  }
31375    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (unsigned int)(*arg1)->KBOSum();
31376   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_LewisAcidBaseCounts(SEXP self,SEXP s_swig_copy)31377 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_LewisAcidBaseCounts ( SEXP self, SEXP s_swig_copy) {
31378   SwigValueWrapper< std::pair< int,int > > result; OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ;
31379   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31380   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31381     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_LewisAcidBaseCounts" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'");  }
31382    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (*arg1)->LewisAcidBaseCounts();
31383   r_ans = SWIG_R_NewPointerObj((new std::pair< int,int >(static_cast< const std::pair< int,int >& >(result))), SWIGTYPE_p_std__pairT_int_int_t, SWIG_POINTER_OWN |  0 );
31384   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_HasResidue(SEXP self,SEXP s_swig_copy)31385 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_HasResidue ( SEXP self, SEXP s_swig_copy) { bool result;
31386   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31387   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31388   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31389     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_HasResidue" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31390    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (bool)(*arg1)->HasResidue();
31391   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_IsCarbon(SEXP self,SEXP s_swig_copy)31392 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_IsCarbon ( SEXP self, SEXP s_swig_copy) { bool result;
31393   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31394   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31395   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31396     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_IsCarbon" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31397    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (bool)(*arg1)->IsCarbon();
31398   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_IsNitrogen(SEXP self,SEXP s_swig_copy)31399 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_IsNitrogen ( SEXP self, SEXP s_swig_copy) { bool result;
31400   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31401   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31402   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31403     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_IsNitrogen" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31404    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (bool)(*arg1)->IsNitrogen();
31405   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_IsOxygen(SEXP self,SEXP s_swig_copy)31406 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_IsOxygen ( SEXP self, SEXP s_swig_copy) { bool result;
31407   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31408   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31409   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31410     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_IsOxygen" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31411    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (bool)(*arg1)->IsOxygen();
31412   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_IsSulfur(SEXP self,SEXP s_swig_copy)31413 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_IsSulfur ( SEXP self, SEXP s_swig_copy) { bool result;
31414   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31415   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31416   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31417     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_IsSulfur" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31418    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (bool)(*arg1)->IsSulfur();
31419   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_IsPhosphorus(SEXP self,SEXP s_swig_copy)31420 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_IsPhosphorus ( SEXP self, SEXP s_swig_copy) { bool result;
31421   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31422   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31423   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31424     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_IsPhosphorus" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31425    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (bool)(*arg1)->IsPhosphorus();
31426   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_IsAromatic(SEXP self,SEXP s_swig_copy)31427 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_IsAromatic ( SEXP self, SEXP s_swig_copy) { bool result;
31428   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31429   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31430   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31431     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_IsAromatic" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'");  }
31432    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (bool)(*arg1)->IsAromatic();
31433   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_IsInRing(SEXP self,SEXP s_swig_copy)31434 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_IsInRing ( SEXP self, SEXP s_swig_copy) { bool result;
31435   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31436   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31437   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31438     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_IsInRing" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'");  }
31439    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (bool)(*arg1)->IsInRing();
31440   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_IsInRingSize(SEXP self,SEXP s_arg2,SEXP s_swig_copy)31441 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_IsInRingSize ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
31442   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
31443   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31444   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31445     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_IsInRingSize" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'");  }
31446    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
31447   result = (bool)(*arg1)->IsInRingSize(arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
31448   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_IsHeteroatom(SEXP self,SEXP s_swig_copy)31449 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_IsHeteroatom ( SEXP self, SEXP s_swig_copy) { bool result;
31450   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31451   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31452   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31453     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_IsHeteroatom" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31454    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (bool)(*arg1)->IsHeteroatom();
31455   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_IsNotCorH(SEXP self,SEXP s_swig_copy)31456 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_IsNotCorH ( SEXP self, SEXP s_swig_copy) { bool result;
31457   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31458   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31459   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31460     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_IsNotCorH" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31461    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (bool)(*arg1)->IsNotCorH();
31462   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_IsConnected(SEXP self,SEXP s_arg2,SEXP s_swig_copy)31463 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_IsConnected ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
31464   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
31465   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
31466   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 );
31467   if (!SWIG_IsOK(res1)) {
31468     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_IsConnected" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31469    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1);
31470   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
31471     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_IsConnected" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
31472    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (bool)(*arg1)->IsConnected(arg2);
31473   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_IsOneThree(SEXP self,SEXP s_arg2,SEXP s_swig_copy)31474 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_IsOneThree ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
31475   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
31476   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
31477   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 );
31478   if (!SWIG_IsOK(res1)) {
31479     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_IsOneThree" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31480    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1);
31481   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
31482     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_IsOneThree" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
31483    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (bool)(*arg1)->IsOneThree(arg2);
31484   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_IsOneFour(SEXP self,SEXP s_arg2,SEXP s_swig_copy)31485 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_IsOneFour ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
31486   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
31487   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
31488   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 );
31489   if (!SWIG_IsOK(res1)) {
31490     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_IsOneFour" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31491    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1);
31492   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
31493     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_IsOneFour" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
31494    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (bool)(*arg1)->IsOneFour(arg2);
31495   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_IsCarboxylOxygen(SEXP self,SEXP s_swig_copy)31496 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_IsCarboxylOxygen ( SEXP self, SEXP s_swig_copy) { bool result;
31497   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31498   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31499   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31500     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_IsCarboxylOxygen" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31501    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (bool)(*arg1)->IsCarboxylOxygen();
31502   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_IsThiocarboxylSulfur(SEXP self,SEXP s_swig_copy)31503 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_IsThiocarboxylSulfur ( SEXP self, SEXP s_swig_copy) { bool result;
31504   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31505   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31506   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31507     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_IsThiocarboxylSulfur" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31508    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (bool)(*arg1)->IsThiocarboxylSulfur();
31509   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_IsPhosphateOxygen(SEXP self,SEXP s_swig_copy)31510 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_IsPhosphateOxygen ( SEXP self, SEXP s_swig_copy) { bool result;
31511   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31512   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31513   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31514     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_IsPhosphateOxygen" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31515    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (bool)(*arg1)->IsPhosphateOxygen();
31516   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_IsSulfateOxygen(SEXP self,SEXP s_swig_copy)31517 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_IsSulfateOxygen ( SEXP self, SEXP s_swig_copy) { bool result;
31518   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31519   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31520   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31521     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_IsSulfateOxygen" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31522    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (bool)(*arg1)->IsSulfateOxygen();
31523   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_IsNitroOxygen(SEXP self,SEXP s_swig_copy)31524 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_IsNitroOxygen ( SEXP self, SEXP s_swig_copy) { bool result;
31525   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31526   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31527   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31528     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_IsNitroOxygen" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31529    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (bool)(*arg1)->IsNitroOxygen();
31530   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_IsAmideNitrogen(SEXP self,SEXP s_swig_copy)31531 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_IsAmideNitrogen ( SEXP self, SEXP s_swig_copy) { bool result;
31532   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31533   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31534   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31535     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_IsAmideNitrogen" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31536    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (bool)(*arg1)->IsAmideNitrogen();
31537   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_IsPolarHydrogen(SEXP self,SEXP s_swig_copy)31538 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_IsPolarHydrogen ( SEXP self, SEXP s_swig_copy) { bool result;
31539   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31540   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31541   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31542     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_IsPolarHydrogen" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31543    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (bool)(*arg1)->IsPolarHydrogen();
31544   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_IsNonPolarHydrogen(SEXP self,SEXP s_swig_copy)31545 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_IsNonPolarHydrogen ( SEXP self, SEXP s_swig_copy) { bool result;
31546   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31547   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31548   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31549     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_IsNonPolarHydrogen" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31550    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (bool)(*arg1)->IsNonPolarHydrogen();
31551   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_IsAromaticNOxide(SEXP self,SEXP s_swig_copy)31552 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_IsAromaticNOxide ( SEXP self, SEXP s_swig_copy) { bool result;
31553   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31554   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31555   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31556     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_IsAromaticNOxide" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31557    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (bool)(*arg1)->IsAromaticNOxide();
31558   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_IsChiral(SEXP self,SEXP s_swig_copy)31559 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_IsChiral ( SEXP self, SEXP s_swig_copy) { bool result;
31560   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31561   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31562   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31563     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_IsChiral" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31564    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (bool)(*arg1)->IsChiral();
31565   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_IsAxial(SEXP self,SEXP s_swig_copy)31566 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_IsAxial ( SEXP self, SEXP s_swig_copy) { bool result;
31567   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31568   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31569   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31570     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_IsAxial" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31571    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (bool)(*arg1)->IsAxial();
31572   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_IsClockwise(SEXP self,SEXP s_swig_copy)31573 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_IsClockwise ( SEXP self, SEXP s_swig_copy) { bool result;
31574   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31575   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31576   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31577     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_IsClockwise" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31578    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (bool)(*arg1)->IsClockwise();
31579   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_IsAntiClockwise(SEXP self,SEXP s_swig_copy)31580 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_IsAntiClockwise ( SEXP self, SEXP s_swig_copy) { bool result;
31581   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31582   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31583   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31584     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_IsAntiClockwise" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31585    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (bool)(*arg1)->IsAntiClockwise();
31586   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_IsPositiveStereo(SEXP self,SEXP s_swig_copy)31587 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_IsPositiveStereo ( SEXP self, SEXP s_swig_copy) { bool result;
31588   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31589   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31590   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31591     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_IsPositiveStereo" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31592    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (bool)(*arg1)->IsPositiveStereo();
31593   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_IsNegativeStereo(SEXP self,SEXP s_swig_copy)31594 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_IsNegativeStereo ( SEXP self, SEXP s_swig_copy) { bool result;
31595   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31596   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31597   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31598     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_IsNegativeStereo" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31599    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (bool)(*arg1)->IsNegativeStereo();
31600   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_HasChiralitySpecified(SEXP self,SEXP s_swig_copy)31601 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_HasChiralitySpecified ( SEXP self, SEXP s_swig_copy) { bool result;
31602   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31603   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31604   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31605     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_HasChiralitySpecified" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31606    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (bool)(*arg1)->HasChiralitySpecified();
31607   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_HasChiralVolume(SEXP self,SEXP s_swig_copy)31608 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_HasChiralVolume ( SEXP self, SEXP s_swig_copy) { bool result;
31609   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31610   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31611   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31612     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_HasChiralVolume" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31613    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (bool)(*arg1)->HasChiralVolume();
31614   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_IsHbondAcceptor(SEXP self,SEXP s_swig_copy)31615 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_IsHbondAcceptor ( SEXP self, SEXP s_swig_copy) { bool result;
31616   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31617   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31618   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31619     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_IsHbondAcceptor" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31620    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (bool)(*arg1)->IsHbondAcceptor();
31621   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_IsHbondDonor(SEXP self,SEXP s_swig_copy)31622 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_IsHbondDonor ( SEXP self, SEXP s_swig_copy) { bool result;
31623   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31624   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31625   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31626     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_IsHbondDonor" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31627    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (bool)(*arg1)->IsHbondDonor();
31628   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_IsHbondDonorH(SEXP self,SEXP s_swig_copy)31629 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_IsHbondDonorH ( SEXP self, SEXP s_swig_copy) { bool result;
31630   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31631   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31632   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31633     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_IsHbondDonorH" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31634    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (bool)(*arg1)->IsHbondDonorH();
31635   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_IsMetal(SEXP self,SEXP s_swig_copy)31636 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_IsMetal ( SEXP self, SEXP s_swig_copy) { bool result;
31637   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31638   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31639   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31640     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_IsMetal" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31641    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (bool)(*arg1)->IsMetal();
31642   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_HasAlphaBetaUnsat__SWIG_0(SEXP self,SEXP includePandS,SEXP s_swig_copy)31643 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_HasAlphaBetaUnsat__SWIG_0 ( SEXP self, SEXP includePandS, SEXP s_swig_copy) {
31644   bool result; OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; bool arg2 ; void *argp1 = 0 ;
31645   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31646   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31647     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_HasAlphaBetaUnsat" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31648    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); arg2 = LOGICAL(includePandS)[0] ? true : false;
31649   result = (bool)(*arg1)->HasAlphaBetaUnsat(arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
31650   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_HasAlphaBetaUnsat__SWIG_1(SEXP self,SEXP s_swig_copy)31651 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_HasAlphaBetaUnsat__SWIG_1 ( SEXP self, SEXP s_swig_copy) { bool result;
31652   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31653   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31654   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31655     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_HasAlphaBetaUnsat" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31656    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (bool)(*arg1)->HasAlphaBetaUnsat();
31657   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_HasBondOfOrder(SEXP self,SEXP bo,SEXP s_swig_copy)31658 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_HasBondOfOrder ( SEXP self, SEXP bo, SEXP s_swig_copy) { bool result;
31659   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
31660   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31661   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31662     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_HasBondOfOrder" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31663    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); ecode2 = SWIG_AsVal_int(bo, &val2);
31664   if (!SWIG_IsOK(ecode2)) {
31665     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomBFSIter_HasBondOfOrder" "', argument " "2"" of type '" "unsigned int""'"); }
31666     arg2 = static_cast< unsigned int >(val2); result = (bool)(*arg1)->HasBondOfOrder(arg2); r_ans = Rf_ScalarLogical(result);
31667   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_CountBondsOfOrder(SEXP self,SEXP bo,SEXP s_swig_copy)31668 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_CountBondsOfOrder ( SEXP self, SEXP bo, SEXP s_swig_copy) { int result;
31669   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
31670   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31671   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31672     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_CountBondsOfOrder" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31673    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); ecode2 = SWIG_AsVal_int(bo, &val2);
31674   if (!SWIG_IsOK(ecode2)) {
31675     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomBFSIter_CountBondsOfOrder" "', argument " "2"" of type '" "unsigned int""'"); }
31676     arg2 = static_cast< unsigned int >(val2); result = (int)(*arg1)->CountBondsOfOrder(arg2); r_ans = Rf_ScalarInteger(result);
31677   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_HasNonSingleBond(SEXP self,SEXP s_swig_copy)31678 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_HasNonSingleBond ( SEXP self, SEXP s_swig_copy) { bool result;
31679   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31680   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31681   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31682     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_HasNonSingleBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31683    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (bool)(*arg1)->HasNonSingleBond();
31684   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_HasSingleBond(SEXP self,SEXP s_swig_copy)31685 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_HasSingleBond ( SEXP self, SEXP s_swig_copy) { bool result;
31686   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31687   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31688   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31689     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_HasSingleBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31690    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (bool)(*arg1)->HasSingleBond();
31691   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_HasDoubleBond(SEXP self,SEXP s_swig_copy)31692 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_HasDoubleBond ( SEXP self, SEXP s_swig_copy) { bool result;
31693   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31694   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31695   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31696     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_HasDoubleBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31697    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (bool)(*arg1)->HasDoubleBond();
31698   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_HasAromaticBond(SEXP self,SEXP s_swig_copy)31699 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_HasAromaticBond ( SEXP self, SEXP s_swig_copy) { bool result;
31700   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31701   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31702   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31703     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_HasAromaticBond" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31704    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (bool)(*arg1)->HasAromaticBond();
31705   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_MatchesSMARTS(SEXP self,SEXP s_arg2,SEXP s_swig_copy)31706 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_MatchesSMARTS ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
31707   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; char *arg2 = (char *) 0 ; void *argp1 = 0 ;
31708   int res1 = 0 ; int res2 ; char *buf2 = 0 ; int alloc2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
31709   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 );
31710   if (!SWIG_IsOK(res1)) {
31711     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_MatchesSMARTS" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31712    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); res2 = SWIG_AsCharPtrAndSize(s_arg2, &buf2, NULL, &alloc2);
31713   if (!SWIG_IsOK(res2)) {
31714     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_MatchesSMARTS" "', argument " "2"" of type '" "char const *""'"); }
31715    arg2 = reinterpret_cast< char * >(buf2); result = (bool)(*arg1)->MatchesSMARTS((char const *)arg2);
31716   r_ans = Rf_ScalarLogical(result); if (alloc2 == SWIG_NEWOBJ) delete[] buf2; vmaxset(r_vmax);
31717   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_Clear(SEXP self,SEXP s_swig_copy)31718 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_Clear ( SEXP self, SEXP s_swig_copy) { bool result;
31719   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31720   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31721   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31722     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_Clear" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31723    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (bool)(*arg1)->Clear();
31724   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_DoTransformations(SEXP self,SEXP s_arg2,SEXP s_arg3)31725 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_DoTransformations ( SEXP self, SEXP s_arg2, SEXP s_arg3) {
31726   OpenBabel::OBBase *result = 0 ; OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ;
31727   std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > *arg2 = (std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > *) 0 ;
31728   OpenBabel::OBConversion *arg3 = (OpenBabel::OBConversion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
31729   int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
31730   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 );
31731   if (!SWIG_IsOK(res1)) {
31732     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_DoTransformations" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31733    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1);
31734   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_std__mapT_std__string_std__string_std__lessT_std__string_t_std__allocatorT_std__pairT_std__string_const_std__string_t_t_t, 0 |  0 );
31735   if (!SWIG_IsOK(res2)) {
31736     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_DoTransformations" "', argument " "2"" of type '" "std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > const *""'");  }
31737 
31738   arg2 = reinterpret_cast< std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > * >(argp2);
31739   res3 = SWIG_R_ConvertPtr(s_arg3, &argp3, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res3)) {
31740     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBMolAtomBFSIter_DoTransformations" "', argument " "3"" of type '" "OpenBabel::OBConversion *""'");  }
31741    arg3 = reinterpret_cast< OpenBabel::OBConversion * >(argp3);
31742   result = (OpenBabel::OBBase *)(*arg1)->DoTransformations((std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > const *)arg2,arg3);
31743   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBase, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
31744   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_ClassDescription(SEXP self)31745 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_ClassDescription ( SEXP self) { char *result = 0 ;
31746   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31747   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31748   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31749     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_ClassDescription" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31750    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (char *)(*arg1)->ClassDescription();
31751   r_ans = SWIG_FromCharPtr((const char *)result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_GetTitle__SWIG_0(SEXP self,SEXP replaceNewlines)31752 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_GetTitle__SWIG_0 ( SEXP self, SEXP replaceNewlines) { char *result = 0 ;
31753   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
31754   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31755   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31756     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetTitle" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'");  }
31757    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); arg2 = LOGICAL(replaceNewlines)[0] ? true : false;
31758   result = (char *)(*arg1)->GetTitle(arg2); r_ans = SWIG_FromCharPtr((const char *)result); vmaxset(r_vmax);
31759   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_GetTitle__SWIG_1(SEXP self)31760 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_GetTitle__SWIG_1 ( SEXP self) { char *result = 0 ;
31761   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31762   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31763   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31764     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetTitle" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'");  }
31765    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (char *)(*arg1)->GetTitle();
31766   r_ans = SWIG_FromCharPtr((const char *)result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_SetTitle(SEXP self,SEXP s_arg2)31767 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_SetTitle ( SEXP self, SEXP s_arg2) {
31768   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; char *arg2 = (char *) 0 ; void *argp1 = 0 ;
31769   int res1 = 0 ; int res2 ; char *buf2 = 0 ; int alloc2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
31770   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 );
31771   if (!SWIG_IsOK(res1)) {
31772     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_SetTitle" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31773    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); res2 = SWIG_AsCharPtrAndSize(s_arg2, &buf2, NULL, &alloc2);
31774   if (!SWIG_IsOK(res2)) {
31775     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_SetTitle" "', argument " "2"" of type '" "char const *""'"); }
31776    arg2 = reinterpret_cast< char * >(buf2); (*arg1)->SetTitle((char const *)arg2); r_ans = R_NilValue;
31777   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_HasData__SWIG_0(SEXP self,SEXP s_arg2,SEXP s_swig_copy)31778 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_HasData__SWIG_0 ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
31779   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ;
31780   int res1 = 0 ; int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31781   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31782     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_HasData" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31783    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); { std::string *ptr = (std::string *)0;
31784     res2 = SWIG_AsPtr_std_string(s_arg2, &ptr); if (!SWIG_IsOK(res2)) {
31785       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_HasData" "', argument " "2"" of type '" "std::string const &""'"); }
31786      if (!ptr) {
31787       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomBFSIter_HasData" "', argument " "2"" of type '" "std::string const &""'"); }
31788      arg2 = ptr; }  result = (bool)(*arg1)->HasData((std::string const &)*arg2); r_ans = Rf_ScalarLogical(result);
31789   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_HasData__SWIG_1(SEXP self,SEXP type,SEXP s_swig_copy)31790 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_HasData__SWIG_1 ( SEXP self, SEXP type, SEXP s_swig_copy) { bool result;
31791   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
31792   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31793   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31794     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_HasData" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31795    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); ecode2 = SWIG_AsVal_int(type, &val2);
31796   if (!SWIG_IsOK(ecode2)) {
31797     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomBFSIter_HasData" "', argument " "2"" of type '" "unsigned int""'"); }
31798     arg2 = static_cast< unsigned int >(val2); result = (bool)(*arg1)->HasData(arg2); r_ans = Rf_ScalarLogical(result);
31799   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_DeleteData__SWIG_0(SEXP self,SEXP type)31800 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_DeleteData__SWIG_0 ( SEXP self, SEXP type) {
31801   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
31802   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31803   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31804     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_DeleteData" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31805    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); ecode2 = SWIG_AsVal_int(type, &val2);
31806   if (!SWIG_IsOK(ecode2)) {
31807     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomBFSIter_DeleteData" "', argument " "2"" of type '" "unsigned int""'"); }
31808     arg2 = static_cast< unsigned int >(val2); (*arg1)->DeleteData(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
31809   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_DeleteData__SWIG_1(SEXP self,SEXP s_arg2)31810 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_DeleteData__SWIG_1 ( SEXP self, SEXP s_arg2) {
31811   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ;
31812   OpenBabel::OBGenericData *arg2 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
31813   int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31814   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31815     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_DeleteData" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31816    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1);
31817   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res2)) {
31818     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_DeleteData" "', argument " "2"" of type '" "OpenBabel::OBGenericData *""'");  }
31819    arg2 = reinterpret_cast< OpenBabel::OBGenericData * >(argp2); (*arg1)->DeleteData(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
31820   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_DeleteData__SWIG_2(SEXP self,SEXP s_arg2)31821 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_DeleteData__SWIG_2 ( SEXP self, SEXP s_arg2) {
31822   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ;
31823   std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > *arg2 = 0 ; void *argp1 = 0 ;
31824   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
31825   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 );
31826   if (!SWIG_IsOK(res1)) {
31827     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_DeleteData" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31828    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1);
31829   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t,  0 );
31830   if (!SWIG_IsOK(res2)) {
31831     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_DeleteData" "', argument " "2"" of type '" "std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > &""'");  }
31832    if (!argp2) {
31833     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomBFSIter_DeleteData" "', argument " "2"" of type '" "std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > &""'"); }
31834    arg2 = reinterpret_cast< std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > * >(argp2);
31835   (*arg1)->DeleteData(*arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_DeleteData__SWIG_3(SEXP self,SEXP s,SEXP s_swig_copy)31836 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_DeleteData__SWIG_3 ( SEXP self, SEXP s, SEXP s_swig_copy) { bool result;
31837   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ;
31838   int res1 = 0 ; int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31839   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31840     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_DeleteData" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31841    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); { std::string *ptr = (std::string *)0;
31842     res2 = SWIG_AsPtr_std_string(s, &ptr); if (!SWIG_IsOK(res2)) {
31843       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_DeleteData" "', argument " "2"" of type '" "std::string const &""'"); }
31844      if (!ptr) {
31845       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomBFSIter_DeleteData" "', argument " "2"" of type '" "std::string const &""'"); }
31846      arg2 = ptr; }  result = (bool)(*arg1)->DeleteData((std::string const &)*arg2); r_ans = Rf_ScalarLogical(result);
31847   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_CloneData(SEXP self,SEXP d)31848 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_CloneData ( SEXP self, SEXP d) {
31849   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ;
31850   OpenBabel::OBGenericData *arg2 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
31851   int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31852   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31853     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_CloneData" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31854    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1);
31855   res2 = SWIG_R_ConvertPtr(d, &argp2, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res2)) {
31856     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_CloneData" "', argument " "2"" of type '" "OpenBabel::OBGenericData *""'");  }
31857    arg2 = reinterpret_cast< OpenBabel::OBGenericData * >(argp2); (*arg1)->CloneData(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
31858   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_DataSize(SEXP self,SEXP s_swig_copy)31859 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_DataSize ( SEXP self, SEXP s_swig_copy) { size_t result;
31860   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31861   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31862   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31863     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_DataSize" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter const *""'");  }
31864    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (*arg1)->DataSize();
31865   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_GetData__SWIG_0(SEXP self,SEXP type)31866 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_GetData__SWIG_0 ( SEXP self, SEXP type) { OpenBabel::OBGenericData *result = 0 ;
31867   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
31868   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31869   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31870     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetData" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31871    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); ecode2 = SWIG_AsVal_int(type, &val2);
31872   if (!SWIG_IsOK(ecode2)) {
31873     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomBFSIter_GetData" "', argument " "2"" of type '" "unsigned int""'"); }
31874     arg2 = static_cast< unsigned int >(val2); result = (OpenBabel::OBGenericData *)(*arg1)->GetData(arg2);
31875   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGenericData, R_SWIG_EXTERNAL |  0 );
31876   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_GetData__SWIG_1(SEXP self,SEXP s_arg2)31877 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_GetData__SWIG_1 ( SEXP self, SEXP s_arg2) { OpenBabel::OBGenericData *result = 0 ;
31878   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ;
31879   int res1 = 0 ; int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31880   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31881     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetData" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31882    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); { std::string *ptr = (std::string *)0;
31883     res2 = SWIG_AsPtr_std_string(s_arg2, &ptr); if (!SWIG_IsOK(res2)) {
31884       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolAtomBFSIter_GetData" "', argument " "2"" of type '" "std::string const &""'"); }
31885      if (!ptr) {
31886       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolAtomBFSIter_GetData" "', argument " "2"" of type '" "std::string const &""'"); }
31887      arg2 = ptr; }  result = (OpenBabel::OBGenericData *)(*arg1)->GetData((std::string const &)*arg2);
31888   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGenericData, R_SWIG_EXTERNAL |  0 );
31889   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_GetData__SWIG_2(SEXP self,SEXP s_swig_copy)31890 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_GetData__SWIG_2 ( SEXP self, SEXP s_swig_copy) {
31891   std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > *result = 0 ;
31892   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31893   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31894   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31895     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetData" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31896    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1);
31897   result = (std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > *) &(*arg1)->GetData();
31898   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t, R_SWIG_EXTERNAL |  0 );
31899   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_GetData__SWIG_3(SEXP self,SEXP source,SEXP s_swig_copy)31900 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_GetData__SWIG_3 ( SEXP self, SEXP source, SEXP s_swig_copy) {
31901   std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > result;
31902   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; OpenBabel::DataOrigin arg2 ; void *argp1 = 0 ;
31903   int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
31904   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 );
31905   if (!SWIG_IsOK(res1)) {
31906     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetData" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31907    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); ecode2 = SWIG_AsVal_int(source, &val2);
31908   if (!SWIG_IsOK(ecode2)) {
31909     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomBFSIter_GetData" "', argument " "2"" of type '" "OpenBabel::DataOrigin""'"); }
31910     arg2 = static_cast< OpenBabel::DataOrigin >(val2); result = (*arg1)->GetData(arg2);
31911   r_ans = swig::from(static_cast< std::vector<OpenBabel::OBGenericData*,std::allocator< OpenBabel::OBGenericData * > > >(result));
31912   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_GetAllData(SEXP self,SEXP type,SEXP s_swig_copy)31913 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_GetAllData ( SEXP self, SEXP type, SEXP s_swig_copy) {
31914   std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > result;
31915   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
31916   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31917   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31918     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_GetAllData" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31919    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); ecode2 = SWIG_AsVal_int(type, &val2);
31920   if (!SWIG_IsOK(ecode2)) {
31921     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolAtomBFSIter_GetAllData" "', argument " "2"" of type '" "unsigned int""'"); }
31922     arg2 = static_cast< unsigned int >(val2); result = (*arg1)->GetAllData(arg2);
31923   r_ans = swig::from(static_cast< std::vector<OpenBabel::OBGenericData*,std::allocator< OpenBabel::OBGenericData * > > >(result));
31924   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_BeginData(SEXP self,SEXP s_swig_copy)31925 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_BeginData ( SEXP self, SEXP s_swig_copy) {
31926   SwigValueWrapper< std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > >::iterator > result;
31927   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31928   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31929   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31930     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_BeginData" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31931    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (*arg1)->BeginData();
31932   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBDataIterator(static_cast< const OpenBabel::OBDataIterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
31933   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAtomBFSIter_EndData(SEXP self,SEXP s_swig_copy)31934 SWIGEXPORT SEXP R_swig_OBMolAtomBFSIter_EndData ( SEXP self, SEXP s_swig_copy) {
31935   SwigValueWrapper< std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > >::iterator > result;
31936   OpenBabel::OBMolAtomBFSIter *arg1 = (OpenBabel::OBMolAtomBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31937   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31938   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAtomBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31939     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAtomBFSIter_EndData" "', argument " "1"" of type '" "OpenBabel::OBMolAtomBFSIter *""'");  }
31940    arg1 = reinterpret_cast< OpenBabel::OBMolAtomBFSIter * >(argp1); result = (*arg1)->EndData();
31941   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBDataIterator(static_cast< const OpenBabel::OBDataIterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
31942   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBMolBondBFSIter__SWIG_0()31943 SWIGEXPORT SEXP R_swig_new_OBMolBondBFSIter__SWIG_0 ( ) { OpenBabel::OBMolBondBFSIter *result = 0 ; unsigned int r_nprotect = 0;
31944   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31945   result = (OpenBabel::OBMolBondBFSIter *)new OpenBabel::OBMolBondBFSIter();
31946   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, R_SWIG_OWNER |  0 );
31947   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBMolBondBFSIter__SWIG_1(SEXP mol,SEXP StartIndex)31948 SWIGEXPORT SEXP R_swig_new_OBMolBondBFSIter__SWIG_1 ( SEXP mol, SEXP StartIndex) { OpenBabel::OBMolBondBFSIter *result = 0 ;
31949   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
31950   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31951   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31952     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBMolBondBFSIter" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
31953    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1); arg2 = static_cast< int >(INTEGER(StartIndex)[0]);
31954   result = (OpenBabel::OBMolBondBFSIter *)new OpenBabel::OBMolBondBFSIter(arg1,arg2);
31955   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, R_SWIG_OWNER |  0 );
31956   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBMolBondBFSIter__SWIG_2(SEXP mol)31957 SWIGEXPORT SEXP R_swig_new_OBMolBondBFSIter__SWIG_2 ( SEXP mol) { OpenBabel::OBMolBondBFSIter *result = 0 ;
31958   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
31959   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31960   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31961     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBMolBondBFSIter" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
31962    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
31963   result = (OpenBabel::OBMolBondBFSIter *)new OpenBabel::OBMolBondBFSIter(arg1);
31964   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, R_SWIG_OWNER |  0 );
31965   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBMolBondBFSIter__SWIG_3(SEXP ai)31966 SWIGEXPORT SEXP R_swig_new_OBMolBondBFSIter__SWIG_3 ( SEXP ai) { OpenBabel::OBMolBondBFSIter *result = 0 ;
31967   OpenBabel::OBMolBondBFSIter *arg1 = 0 ; void *argp1 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
31968   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(ai, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter,  0 );
31969   if (!SWIG_IsOK(res1)) {
31970     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBMolBondBFSIter" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter const &""'");  }
31971    if (!argp1) {
31972     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBMolBondBFSIter" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter const &""'"); }
31973    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1);
31974   result = (OpenBabel::OBMolBondBFSIter *)new OpenBabel::OBMolBondBFSIter((OpenBabel::OBMolBondBFSIter const &)*arg1);
31975   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, R_SWIG_OWNER |  0 );
31976   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBMolBondBFSIter(SEXP self)31977 SWIGEXPORT SEXP R_swig_delete_OBMolBondBFSIter ( SEXP self) {
31978   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31979   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31980   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, SWIG_POINTER_DISOWN |  0 );
31981   if (!SWIG_IsOK(res1)) {
31982     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBMolBondBFSIter" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
31983    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
31984   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBMolBondBFSIter___deref__(SEXP self)31985 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter___deref__ ( SEXP self) { OpenBabel::OBBond *result = 0 ;
31986   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31987   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31988   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31989     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter___deref__" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter const *""'");  }
31990    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1);
31991   result = (OpenBabel::OBBond *)((OpenBabel::OBMolBondBFSIter const *)arg1)->operator ->();
31992   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
31993   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter___ref__(SEXP self,SEXP s_swig_copy)31994 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter___ref__ ( SEXP self, SEXP s_swig_copy) { OpenBabel::OBBond *result = 0 ;
31995   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
31996   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
31997   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
31998     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter___ref__" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter const *""'");  }
31999    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1);
32000   result = (OpenBabel::OBBond *) &((OpenBabel::OBMolBondBFSIter const *)arg1)->operator *();
32001   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
32002   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_CurrentDepth(SEXP self,SEXP s_swig_copy)32003 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_CurrentDepth ( SEXP self, SEXP s_swig_copy) { int result;
32004   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32005   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32006   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32007     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_CurrentDepth" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter const *""'");  }
32008    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1);
32009   result = (int)((OpenBabel::OBMolBondBFSIter const *)arg1)->CurrentDepth(); r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax);
32010   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_Visit_set(SEXP self,SEXP s_Visit)32011 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_Visit_set ( SEXP self, SEXP s_Visit) {
32012   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
32013   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32014   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32015     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32016    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); arg2 = LOGICAL(s_Visit)[0] ? true : false;
32017   if (arg1) (*arg1)->Visit = arg2; r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_Visit_get(SEXP self,SEXP s_swig_copy)32018 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_Visit_get ( SEXP self, SEXP s_swig_copy) { bool result;
32019   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32020   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32021   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32022     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32023    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); result = (bool) ((*arg1)->Visit);
32024   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_SetIdx(SEXP self,SEXP idx)32025 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_SetIdx ( SEXP self, SEXP idx) {
32026   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
32027   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32028   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32029     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_SetIdx" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32030    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); arg2 = static_cast< int >(INTEGER(idx)[0]);
32031   (*arg1)->SetIdx(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_SetId(SEXP self,SEXP id)32032 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_SetId ( SEXP self, SEXP id) {
32033   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; unsigned long arg2 ; void *argp1 = 0 ; int res1 = 0 ;
32034   long val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32035   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32036     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_SetId" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32037    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); ecode2 = SWIG_AsVal_long(id, &val2);
32038   if (!SWIG_IsOK(ecode2)) {
32039     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolBondBFSIter_SetId" "', argument " "2"" of type '" "unsigned long""'"); }
32040     arg2 = static_cast< unsigned long >(val2); (*arg1)->SetId(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
32041   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_SetBO(SEXP self,SEXP order)32042 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_SetBO ( SEXP self, SEXP order) {
32043   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
32044   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32045   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32046     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_SetBO" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32047    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); arg2 = static_cast< int >(INTEGER(order)[0]);
32048   (*arg1)->SetBO(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_SetBondOrder(SEXP self,SEXP order)32049 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_SetBondOrder ( SEXP self, SEXP order) {
32050   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
32051   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32052   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32053     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_SetBondOrder" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32054    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); arg2 = static_cast< int >(INTEGER(order)[0]);
32055   (*arg1)->SetBondOrder(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_SetBegin(SEXP self,SEXP begin)32056 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_SetBegin ( SEXP self, SEXP begin) {
32057   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
32058   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
32059   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 );
32060   if (!SWIG_IsOK(res1)) {
32061     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_SetBegin" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32062    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1);
32063   res2 = SWIG_R_ConvertPtr(begin, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
32064     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolBondBFSIter_SetBegin" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
32065    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); (*arg1)->SetBegin(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
32066   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_SetEnd(SEXP self,SEXP end)32067 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_SetEnd ( SEXP self, SEXP end) {
32068   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
32069   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
32070   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 );
32071   if (!SWIG_IsOK(res1)) {
32072     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_SetEnd" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32073    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1);
32074   res2 = SWIG_R_ConvertPtr(end, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
32075     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolBondBFSIter_SetEnd" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
32076    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); (*arg1)->SetEnd(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
32077   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_SetParent(SEXP self,SEXP ptr)32078 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_SetParent ( SEXP self, SEXP ptr) {
32079   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ;
32080   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
32081   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 );
32082   if (!SWIG_IsOK(res1)) {
32083     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_SetParent" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32084    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1);
32085   res2 = SWIG_R_ConvertPtr(ptr, &argp2, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res2)) {
32086     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolBondBFSIter_SetParent" "', argument " "2"" of type '" "OpenBabel::OBMol *""'");  }
32087    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); (*arg1)->SetParent(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
32088   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_SetLength__SWIG_0(SEXP self,SEXP fixed,SEXP length)32089 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_SetLength__SWIG_0 ( SEXP self, SEXP fixed, SEXP length) {
32090   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
32091   double arg3 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0;
32092   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32093   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32094     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_SetLength" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32095    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1);
32096   res2 = SWIG_R_ConvertPtr(fixed, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
32097     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolBondBFSIter_SetLength" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
32098    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); arg3 = static_cast< double >(REAL(length)[0]);
32099   (*arg1)->SetLength(arg2,arg3); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_SetLength__SWIG_1(SEXP self,SEXP length)32100 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_SetLength__SWIG_1 ( SEXP self, SEXP length) {
32101   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; double arg2 ; void *argp1 = 0 ; int res1 = 0 ;
32102   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32103   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32104     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_SetLength" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32105    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); arg2 = static_cast< double >(REAL(length)[0]);
32106   (*arg1)->SetLength(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_Set(SEXP self,SEXP index,SEXP begin,SEXP end,SEXP order,SEXP flags)32107 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_Set ( SEXP self, SEXP index, SEXP begin, SEXP end, SEXP order, SEXP flags) {
32108   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; int arg2 ;
32109   OpenBabel::OBAtom *arg3 = (OpenBabel::OBAtom *) 0 ; OpenBabel::OBAtom *arg4 = (OpenBabel::OBAtom *) 0 ; int arg5 ; int arg6 ;
32110   void *argp1 = 0 ; int res1 = 0 ; void *argp3 = 0 ; int res3 = 0 ; void *argp4 = 0 ; int res4 = 0 ;
32111   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32112   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32113     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_Set" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32114    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); arg2 = static_cast< int >(INTEGER(index)[0]);
32115   res3 = SWIG_R_ConvertPtr(begin, &argp3, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res3)) {
32116     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBMolBondBFSIter_Set" "', argument " "3"" of type '" "OpenBabel::OBAtom *""'");  }
32117    arg3 = reinterpret_cast< OpenBabel::OBAtom * >(argp3);
32118   res4 = SWIG_R_ConvertPtr(end, &argp4, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res4)) {
32119     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "OBMolBondBFSIter_Set" "', argument " "4"" of type '" "OpenBabel::OBAtom *""'");  }
32120    arg4 = reinterpret_cast< OpenBabel::OBAtom * >(argp4); arg5 = static_cast< int >(INTEGER(order)[0]);
32121   arg6 = static_cast< int >(INTEGER(flags)[0]); (*arg1)->Set(arg2,arg3,arg4,arg5,arg6); r_ans = R_NilValue; vmaxset(r_vmax);
32122   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_SetKSingle(SEXP self)32123 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_SetKSingle ( SEXP self) {
32124   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32125   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32126   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32127     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_SetKSingle" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32128    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); (*arg1)->SetKSingle(); r_ans = R_NilValue; vmaxset(r_vmax);
32129   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_SetKDouble(SEXP self)32130 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_SetKDouble ( SEXP self) {
32131   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32132   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32133   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32134     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_SetKDouble" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32135    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); (*arg1)->SetKDouble(); r_ans = R_NilValue; vmaxset(r_vmax);
32136   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_SetKTriple(SEXP self)32137 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_SetKTriple ( SEXP self) {
32138   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32139   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32140   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32141     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_SetKTriple" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32142    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); (*arg1)->SetKTriple(); r_ans = R_NilValue; vmaxset(r_vmax);
32143   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_SetAromatic(SEXP self)32144 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_SetAromatic ( SEXP self) {
32145   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32146   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32147   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32148     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_SetAromatic" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32149    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); (*arg1)->SetAromatic(); r_ans = R_NilValue; vmaxset(r_vmax);
32150   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_SetWedge(SEXP self)32151 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_SetWedge ( SEXP self) {
32152   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32153   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32154   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32155     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_SetWedge" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32156    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); (*arg1)->SetWedge(); r_ans = R_NilValue; vmaxset(r_vmax);
32157   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_SetHash(SEXP self)32158 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_SetHash ( SEXP self) {
32159   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32160   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32161   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32162     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_SetHash" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32163    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); (*arg1)->SetHash(); r_ans = R_NilValue; vmaxset(r_vmax);
32164   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_SetWedgeOrHash(SEXP self)32165 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_SetWedgeOrHash ( SEXP self) {
32166   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32167   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32168   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32169     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_SetWedgeOrHash" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32170    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); (*arg1)->SetWedgeOrHash(); r_ans = R_NilValue;
32171   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_SetUp(SEXP self)32172 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_SetUp ( SEXP self) {
32173   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32174   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32175   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32176     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_SetUp" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32177    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); (*arg1)->SetUp(); r_ans = R_NilValue; vmaxset(r_vmax);
32178   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_SetDown(SEXP self)32179 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_SetDown ( SEXP self) {
32180   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32181   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32182   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32183     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_SetDown" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32184    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); (*arg1)->SetDown(); r_ans = R_NilValue; vmaxset(r_vmax);
32185   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_SetInRing__SWIG_0(SEXP self,SEXP set)32186 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_SetInRing__SWIG_0 ( SEXP self, SEXP set) {
32187   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
32188   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32189   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32190     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_SetInRing" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32191    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); arg2 = LOGICAL(set)[0] ? true : false;
32192   (*arg1)->SetInRing(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_SetInRing__SWIG_1(SEXP self)32193 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_SetInRing__SWIG_1 ( SEXP self) {
32194   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32195   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32196   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32197     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_SetInRing" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32198    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); (*arg1)->SetInRing(); r_ans = R_NilValue; vmaxset(r_vmax);
32199   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_SetClosure(SEXP self)32200 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_SetClosure ( SEXP self) {
32201   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32202   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32203   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32204     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_SetClosure" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32205    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); (*arg1)->SetClosure(); r_ans = R_NilValue; vmaxset(r_vmax);
32206   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_UnsetHash(SEXP self)32207 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_UnsetHash ( SEXP self) {
32208   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32209   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32210   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32211     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_UnsetHash" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32212    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); (*arg1)->UnsetHash(); r_ans = R_NilValue; vmaxset(r_vmax);
32213   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_UnsetWedge(SEXP self)32214 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_UnsetWedge ( SEXP self) {
32215   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32216   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32217   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32218     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_UnsetWedge" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32219    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); (*arg1)->UnsetWedge(); r_ans = R_NilValue; vmaxset(r_vmax);
32220   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_UnsetUp(SEXP self)32221 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_UnsetUp ( SEXP self) {
32222   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32223   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32224   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32225     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_UnsetUp" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32226    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); (*arg1)->UnsetUp(); r_ans = R_NilValue; vmaxset(r_vmax);
32227   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_UnsetDown(SEXP self)32228 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_UnsetDown ( SEXP self) {
32229   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32230   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32231   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32232     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_UnsetDown" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32233    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); (*arg1)->UnsetDown(); r_ans = R_NilValue; vmaxset(r_vmax);
32234   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_UnsetAromatic(SEXP self)32235 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_UnsetAromatic ( SEXP self) {
32236   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32237   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32238   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32239     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_UnsetAromatic" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32240    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); (*arg1)->UnsetAromatic(); r_ans = R_NilValue;
32241   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_UnsetKekule(SEXP self)32242 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_UnsetKekule ( SEXP self) {
32243   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32244   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32245   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32246     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_UnsetKekule" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32247    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); (*arg1)->UnsetKekule(); r_ans = R_NilValue; vmaxset(r_vmax);
32248   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_GetIdx(SEXP self,SEXP s_swig_copy)32249 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_GetIdx ( SEXP self, SEXP s_swig_copy) { unsigned int result;
32250   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32251   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32252   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32253     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_GetIdx" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter const *""'");  }
32254    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); result = (unsigned int)(*arg1)->GetIdx();
32255   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_GetId(SEXP self,SEXP s_swig_copy)32256 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_GetId ( SEXP self, SEXP s_swig_copy) { unsigned long result;
32257   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32258   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32259   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32260     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_GetId" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter const *""'");  }
32261    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); result = (unsigned long)(*arg1)->GetId();
32262   r_ans = SWIG_From_long(static_cast< long >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_GetBO(SEXP self,SEXP s_swig_copy)32263 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_GetBO ( SEXP self, SEXP s_swig_copy) { unsigned int result;
32264   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32265   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32266   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32267     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_GetBO" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter const *""'");  }
32268    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); result = (unsigned int)(*arg1)->GetBO();
32269   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_GetBondOrder(SEXP self,SEXP s_swig_copy)32270 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_GetBondOrder ( SEXP self, SEXP s_swig_copy) { unsigned int result;
32271   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32272   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32273   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32274     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_GetBondOrder" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter const *""'");  }
32275    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); result = (unsigned int)(*arg1)->GetBondOrder();
32276   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_GetFlags(SEXP self,SEXP s_swig_copy)32277 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_GetFlags ( SEXP self, SEXP s_swig_copy) { unsigned int result;
32278   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32279   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32280   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32281     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_GetFlags" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter const *""'");  }
32282    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); result = (unsigned int)(*arg1)->GetFlags();
32283   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_GetBeginAtomIdx(SEXP self,SEXP s_swig_copy)32284 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_GetBeginAtomIdx ( SEXP self, SEXP s_swig_copy) { unsigned int result;
32285   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32286   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32287   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32288     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_GetBeginAtomIdx" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter const *""'");  }
32289    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); result = (unsigned int)(*arg1)->GetBeginAtomIdx();
32290   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_GetEndAtomIdx(SEXP self,SEXP s_swig_copy)32291 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_GetEndAtomIdx ( SEXP self, SEXP s_swig_copy) { unsigned int result;
32292   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32293   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32294   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32295     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_GetEndAtomIdx" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter const *""'");  }
32296    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); result = (unsigned int)(*arg1)->GetEndAtomIdx();
32297   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_GetBeginAtom(SEXP self)32298 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_GetBeginAtom ( SEXP self) { OpenBabel::OBAtom *result = 0 ;
32299   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32300   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32301   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32302     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_GetBeginAtom" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32303    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); result = (OpenBabel::OBAtom *)(*arg1)->GetBeginAtom();
32304   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
32305   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_GetEndAtom(SEXP self)32306 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_GetEndAtom ( SEXP self) { OpenBabel::OBAtom *result = 0 ;
32307   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32308   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32309   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32310     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_GetEndAtom" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32311    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); result = (OpenBabel::OBAtom *)(*arg1)->GetEndAtom();
32312   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
32313   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_GetNbrAtom(SEXP self,SEXP ptr)32314 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_GetNbrAtom ( SEXP self, SEXP ptr) { OpenBabel::OBAtom *result = 0 ;
32315   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
32316   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
32317   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 );
32318   if (!SWIG_IsOK(res1)) {
32319     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_GetNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32320    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1);
32321   res2 = SWIG_R_ConvertPtr(ptr, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
32322     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolBondBFSIter_GetNbrAtom" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
32323    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (OpenBabel::OBAtom *)(*arg1)->GetNbrAtom(arg2);
32324   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
32325   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_GetParent(SEXP self)32326 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_GetParent ( SEXP self) { OpenBabel::OBMol *result = 0 ;
32327   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32328   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32329   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32330     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_GetParent" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32331    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); result = (OpenBabel::OBMol *)(*arg1)->GetParent();
32332   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMol, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
32333   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_GetEquibLength(SEXP self,SEXP s_swig_copy)32334 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_GetEquibLength ( SEXP self, SEXP s_swig_copy) { double result;
32335   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32336   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32337   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32338     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_GetEquibLength" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter const *""'");  }
32339    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); result = (double)(*arg1)->GetEquibLength();
32340   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
32341   return r_ans; }
R_swig_OBMolBondBFSIter_GetLength(SEXP self,SEXP s_swig_copy)32342 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_GetLength ( SEXP self, SEXP s_swig_copy) { double result;
32343   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32344   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32345   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32346     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_GetLength" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter const *""'");  }
32347    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); result = (double)(*arg1)->GetLength();
32348   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
32349   return r_ans; }
R_swig_OBMolBondBFSIter_GetNbrAtomIdx(SEXP self,SEXP ptr,SEXP s_swig_copy)32350 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_GetNbrAtomIdx ( SEXP self, SEXP ptr, SEXP s_swig_copy) { unsigned int result;
32351   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
32352   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
32353   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 );
32354   if (!SWIG_IsOK(res1)) {
32355     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_GetNbrAtomIdx" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32356    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1);
32357   res2 = SWIG_R_ConvertPtr(ptr, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
32358     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolBondBFSIter_GetNbrAtomIdx" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
32359    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (unsigned int)(*arg1)->GetNbrAtomIdx(arg2);
32360   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_FindSmallestRing(SEXP self)32361 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_FindSmallestRing ( SEXP self) { OpenBabel::OBRing *result = 0 ;
32362   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32363   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32364   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32365     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_FindSmallestRing" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter const *""'");  }
32366    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); result = (OpenBabel::OBRing *)(*arg1)->FindSmallestRing();
32367   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBRing, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
32368   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_IsAromatic(SEXP self,SEXP s_swig_copy)32369 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_IsAromatic ( SEXP self, SEXP s_swig_copy) { bool result;
32370   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32371   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32372   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32373     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_IsAromatic" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter const *""'");  }
32374    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); result = (bool)(*arg1)->IsAromatic();
32375   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_IsInRing(SEXP self,SEXP s_swig_copy)32376 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_IsInRing ( SEXP self, SEXP s_swig_copy) { bool result;
32377   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32378   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32379   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32380     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_IsInRing" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter const *""'");  }
32381    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); result = (bool)(*arg1)->IsInRing();
32382   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_IsRotor(SEXP self,SEXP s_swig_copy)32383 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_IsRotor ( SEXP self, SEXP s_swig_copy) { bool result;
32384   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32385   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32386   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32387     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_IsRotor" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32388    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); result = (bool)(*arg1)->IsRotor();
32389   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_IsAmide(SEXP self,SEXP s_swig_copy)32390 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_IsAmide ( SEXP self, SEXP s_swig_copy) { bool result;
32391   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32392   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32393   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32394     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_IsAmide" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32395    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); result = (bool)(*arg1)->IsAmide();
32396   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_IsPrimaryAmide(SEXP self,SEXP s_swig_copy)32397 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_IsPrimaryAmide ( SEXP self, SEXP s_swig_copy) { bool result;
32398   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32399   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32400   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32401     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_IsPrimaryAmide" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32402    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); result = (bool)(*arg1)->IsPrimaryAmide();
32403   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_IsSecondaryAmide(SEXP self,SEXP s_swig_copy)32404 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_IsSecondaryAmide ( SEXP self, SEXP s_swig_copy) { bool result;
32405   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32406   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32407   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32408     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_IsSecondaryAmide" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32409    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); result = (bool)(*arg1)->IsSecondaryAmide();
32410   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_IsTertiaryAmide(SEXP self,SEXP s_swig_copy)32411 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_IsTertiaryAmide ( SEXP self, SEXP s_swig_copy) { bool result;
32412   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32413   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32414   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32415     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_IsTertiaryAmide" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32416    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); result = (bool)(*arg1)->IsTertiaryAmide();
32417   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_IsAmidine(SEXP self,SEXP s_swig_copy)32418 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_IsAmidine ( SEXP self, SEXP s_swig_copy) { bool result;
32419   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32420   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32421   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32422     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_IsAmidine" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32423    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); result = (bool)(*arg1)->IsAmidine();
32424   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_IsEster(SEXP self,SEXP s_swig_copy)32425 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_IsEster ( SEXP self, SEXP s_swig_copy) { bool result;
32426   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32427   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32428   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32429     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_IsEster" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32430    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); result = (bool)(*arg1)->IsEster();
32431   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_IsCarbonyl(SEXP self,SEXP s_swig_copy)32432 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_IsCarbonyl ( SEXP self, SEXP s_swig_copy) { bool result;
32433   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32434   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32435   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32436     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_IsCarbonyl" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32437    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); result = (bool)(*arg1)->IsCarbonyl();
32438   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_IsImide(SEXP self,SEXP s_swig_copy)32439 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_IsImide ( SEXP self, SEXP s_swig_copy) { bool result;
32440   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32441   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32442   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32443     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_IsImide" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32444    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); result = (bool)(*arg1)->IsImide();
32445   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_IsSingle(SEXP self,SEXP s_swig_copy)32446 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_IsSingle ( SEXP self, SEXP s_swig_copy) { bool result;
32447   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32448   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32449   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32450     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_IsSingle" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32451    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); result = (bool)(*arg1)->IsSingle();
32452   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_IsDouble(SEXP self,SEXP s_swig_copy)32453 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_IsDouble ( SEXP self, SEXP s_swig_copy) { bool result;
32454   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32455   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32456   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32457     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_IsDouble" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32458    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); result = (bool)(*arg1)->IsDouble();
32459   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_IsTriple(SEXP self,SEXP s_swig_copy)32460 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_IsTriple ( SEXP self, SEXP s_swig_copy) { bool result;
32461   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32462   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32463   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32464     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_IsTriple" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32465    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); result = (bool)(*arg1)->IsTriple();
32466   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_IsKSingle(SEXP self,SEXP s_swig_copy)32467 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_IsKSingle ( SEXP self, SEXP s_swig_copy) { bool result;
32468   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32469   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32470   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32471     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_IsKSingle" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32472    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); result = (bool)(*arg1)->IsKSingle();
32473   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_IsKDouble(SEXP self,SEXP s_swig_copy)32474 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_IsKDouble ( SEXP self, SEXP s_swig_copy) { bool result;
32475   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32476   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32477   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32478     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_IsKDouble" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32479    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); result = (bool)(*arg1)->IsKDouble();
32480   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_IsKTriple(SEXP self,SEXP s_swig_copy)32481 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_IsKTriple ( SEXP self, SEXP s_swig_copy) { bool result;
32482   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32483   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32484   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32485     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_IsKTriple" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32486    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); result = (bool)(*arg1)->IsKTriple();
32487   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_IsClosure(SEXP self,SEXP s_swig_copy)32488 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_IsClosure ( SEXP self, SEXP s_swig_copy) { bool result;
32489   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32490   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32491   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32492     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_IsClosure" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32493    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); result = (bool)(*arg1)->IsClosure();
32494   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_IsUp(SEXP self,SEXP s_swig_copy)32495 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_IsUp ( SEXP self, SEXP s_swig_copy) { bool result;
32496   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32497   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32498   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32499     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_IsUp" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32500    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); result = (bool)(*arg1)->IsUp();
32501   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_IsDown(SEXP self,SEXP s_swig_copy)32502 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_IsDown ( SEXP self, SEXP s_swig_copy) { bool result;
32503   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32504   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32505   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32506     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_IsDown" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32507    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); result = (bool)(*arg1)->IsDown();
32508   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_IsWedge(SEXP self,SEXP s_swig_copy)32509 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_IsWedge ( SEXP self, SEXP s_swig_copy) { bool result;
32510   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32511   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32512   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32513     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_IsWedge" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32514    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); result = (bool)(*arg1)->IsWedge();
32515   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_IsHash(SEXP self,SEXP s_swig_copy)32516 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_IsHash ( SEXP self, SEXP s_swig_copy) { bool result;
32517   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32518   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32519   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32520     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_IsHash" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32521    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); result = (bool)(*arg1)->IsHash();
32522   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_IsWedgeOrHash(SEXP self,SEXP s_swig_copy)32523 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_IsWedgeOrHash ( SEXP self, SEXP s_swig_copy) { bool result;
32524   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32525   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32526   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32527     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_IsWedgeOrHash" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter const *""'");  }
32528    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); result = (bool)(*arg1)->IsWedgeOrHash();
32529   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_IsCisOrTrans(SEXP self,SEXP s_swig_copy)32530 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_IsCisOrTrans ( SEXP self, SEXP s_swig_copy) { bool result;
32531   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32532   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32533   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32534     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_IsCisOrTrans" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter const *""'");  }
32535    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); result = (bool)(*arg1)->IsCisOrTrans();
32536   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_IsDoubleBondGeometry(SEXP self,SEXP s_swig_copy)32537 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_IsDoubleBondGeometry ( SEXP self, SEXP s_swig_copy) { bool result;
32538   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32539   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32540   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32541     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_IsDoubleBondGeometry" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32542    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); result = (bool)(*arg1)->IsDoubleBondGeometry();
32543   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_Clear(SEXP self,SEXP s_swig_copy)32544 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_Clear ( SEXP self, SEXP s_swig_copy) { bool result;
32545   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32546   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32547   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32548     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_Clear" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32549    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); result = (bool)(*arg1)->Clear();
32550   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_DoTransformations(SEXP self,SEXP s_arg2,SEXP s_arg3)32551 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_DoTransformations ( SEXP self, SEXP s_arg2, SEXP s_arg3) {
32552   OpenBabel::OBBase *result = 0 ; OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ;
32553   std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > *arg2 = (std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > *) 0 ;
32554   OpenBabel::OBConversion *arg3 = (OpenBabel::OBConversion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
32555   int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
32556   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 );
32557   if (!SWIG_IsOK(res1)) {
32558     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_DoTransformations" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32559    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1);
32560   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_std__mapT_std__string_std__string_std__lessT_std__string_t_std__allocatorT_std__pairT_std__string_const_std__string_t_t_t, 0 |  0 );
32561   if (!SWIG_IsOK(res2)) {
32562     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolBondBFSIter_DoTransformations" "', argument " "2"" of type '" "std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > const *""'");  }
32563 
32564   arg2 = reinterpret_cast< std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > * >(argp2);
32565   res3 = SWIG_R_ConvertPtr(s_arg3, &argp3, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res3)) {
32566     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBMolBondBFSIter_DoTransformations" "', argument " "3"" of type '" "OpenBabel::OBConversion *""'");  }
32567    arg3 = reinterpret_cast< OpenBabel::OBConversion * >(argp3);
32568   result = (OpenBabel::OBBase *)(*arg1)->DoTransformations((std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > const *)arg2,arg3);
32569   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBase, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
32570   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_ClassDescription(SEXP self)32571 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_ClassDescription ( SEXP self) { char *result = 0 ;
32572   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32573   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32574   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32575     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_ClassDescription" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32576    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); result = (char *)(*arg1)->ClassDescription();
32577   r_ans = SWIG_FromCharPtr((const char *)result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_GetTitle__SWIG_0(SEXP self,SEXP replaceNewlines)32578 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_GetTitle__SWIG_0 ( SEXP self, SEXP replaceNewlines) { char *result = 0 ;
32579   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
32580   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32581   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32582     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_GetTitle" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter const *""'");  }
32583    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); arg2 = LOGICAL(replaceNewlines)[0] ? true : false;
32584   result = (char *)(*arg1)->GetTitle(arg2); r_ans = SWIG_FromCharPtr((const char *)result); vmaxset(r_vmax);
32585   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_GetTitle__SWIG_1(SEXP self)32586 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_GetTitle__SWIG_1 ( SEXP self) { char *result = 0 ;
32587   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32588   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32589   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32590     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_GetTitle" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter const *""'");  }
32591    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); result = (char *)(*arg1)->GetTitle();
32592   r_ans = SWIG_FromCharPtr((const char *)result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_SetTitle(SEXP self,SEXP s_arg2)32593 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_SetTitle ( SEXP self, SEXP s_arg2) {
32594   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; char *arg2 = (char *) 0 ; void *argp1 = 0 ;
32595   int res1 = 0 ; int res2 ; char *buf2 = 0 ; int alloc2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
32596   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 );
32597   if (!SWIG_IsOK(res1)) {
32598     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_SetTitle" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32599    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); res2 = SWIG_AsCharPtrAndSize(s_arg2, &buf2, NULL, &alloc2);
32600   if (!SWIG_IsOK(res2)) {
32601     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolBondBFSIter_SetTitle" "', argument " "2"" of type '" "char const *""'"); }
32602    arg2 = reinterpret_cast< char * >(buf2); (*arg1)->SetTitle((char const *)arg2); r_ans = R_NilValue;
32603   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_HasData__SWIG_0(SEXP self,SEXP s_arg2,SEXP s_swig_copy)32604 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_HasData__SWIG_0 ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
32605   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ;
32606   int res1 = 0 ; int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32607   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32608     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_HasData" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32609    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); { std::string *ptr = (std::string *)0;
32610     res2 = SWIG_AsPtr_std_string(s_arg2, &ptr); if (!SWIG_IsOK(res2)) {
32611       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolBondBFSIter_HasData" "', argument " "2"" of type '" "std::string const &""'"); }
32612      if (!ptr) {
32613       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolBondBFSIter_HasData" "', argument " "2"" of type '" "std::string const &""'"); }
32614      arg2 = ptr; }  result = (bool)(*arg1)->HasData((std::string const &)*arg2); r_ans = Rf_ScalarLogical(result);
32615   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_HasData__SWIG_1(SEXP self,SEXP type,SEXP s_swig_copy)32616 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_HasData__SWIG_1 ( SEXP self, SEXP type, SEXP s_swig_copy) { bool result;
32617   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
32618   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32619   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32620     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_HasData" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32621    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); ecode2 = SWIG_AsVal_int(type, &val2);
32622   if (!SWIG_IsOK(ecode2)) {
32623     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolBondBFSIter_HasData" "', argument " "2"" of type '" "unsigned int""'"); }
32624     arg2 = static_cast< unsigned int >(val2); result = (bool)(*arg1)->HasData(arg2); r_ans = Rf_ScalarLogical(result);
32625   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_DeleteData__SWIG_0(SEXP self,SEXP type)32626 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_DeleteData__SWIG_0 ( SEXP self, SEXP type) {
32627   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
32628   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32629   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32630     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_DeleteData" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32631    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); ecode2 = SWIG_AsVal_int(type, &val2);
32632   if (!SWIG_IsOK(ecode2)) {
32633     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolBondBFSIter_DeleteData" "', argument " "2"" of type '" "unsigned int""'"); }
32634     arg2 = static_cast< unsigned int >(val2); (*arg1)->DeleteData(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
32635   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_DeleteData__SWIG_1(SEXP self,SEXP s_arg2)32636 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_DeleteData__SWIG_1 ( SEXP self, SEXP s_arg2) {
32637   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ;
32638   OpenBabel::OBGenericData *arg2 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
32639   int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32640   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32641     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_DeleteData" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32642    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1);
32643   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res2)) {
32644     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolBondBFSIter_DeleteData" "', argument " "2"" of type '" "OpenBabel::OBGenericData *""'");  }
32645    arg2 = reinterpret_cast< OpenBabel::OBGenericData * >(argp2); (*arg1)->DeleteData(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
32646   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_DeleteData__SWIG_2(SEXP self,SEXP s_arg2)32647 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_DeleteData__SWIG_2 ( SEXP self, SEXP s_arg2) {
32648   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ;
32649   std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > *arg2 = 0 ; void *argp1 = 0 ;
32650   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
32651   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 );
32652   if (!SWIG_IsOK(res1)) {
32653     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_DeleteData" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32654    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1);
32655   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t,  0 );
32656   if (!SWIG_IsOK(res2)) {
32657     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolBondBFSIter_DeleteData" "', argument " "2"" of type '" "std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > &""'");  }
32658    if (!argp2) {
32659     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolBondBFSIter_DeleteData" "', argument " "2"" of type '" "std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > &""'"); }
32660    arg2 = reinterpret_cast< std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > * >(argp2);
32661   (*arg1)->DeleteData(*arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_DeleteData__SWIG_3(SEXP self,SEXP s,SEXP s_swig_copy)32662 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_DeleteData__SWIG_3 ( SEXP self, SEXP s, SEXP s_swig_copy) { bool result;
32663   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ;
32664   int res1 = 0 ; int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32665   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32666     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_DeleteData" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32667    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); { std::string *ptr = (std::string *)0;
32668     res2 = SWIG_AsPtr_std_string(s, &ptr); if (!SWIG_IsOK(res2)) {
32669       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolBondBFSIter_DeleteData" "', argument " "2"" of type '" "std::string const &""'"); }
32670      if (!ptr) {
32671       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolBondBFSIter_DeleteData" "', argument " "2"" of type '" "std::string const &""'"); }
32672      arg2 = ptr; }  result = (bool)(*arg1)->DeleteData((std::string const &)*arg2); r_ans = Rf_ScalarLogical(result);
32673   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_CloneData(SEXP self,SEXP d)32674 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_CloneData ( SEXP self, SEXP d) {
32675   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ;
32676   OpenBabel::OBGenericData *arg2 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
32677   int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32678   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32679     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_CloneData" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32680    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1);
32681   res2 = SWIG_R_ConvertPtr(d, &argp2, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res2)) {
32682     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolBondBFSIter_CloneData" "', argument " "2"" of type '" "OpenBabel::OBGenericData *""'");  }
32683    arg2 = reinterpret_cast< OpenBabel::OBGenericData * >(argp2); (*arg1)->CloneData(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
32684   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_DataSize(SEXP self,SEXP s_swig_copy)32685 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_DataSize ( SEXP self, SEXP s_swig_copy) { size_t result;
32686   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32687   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32688   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32689     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_DataSize" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter const *""'");  }
32690    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); result = (*arg1)->DataSize();
32691   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_GetData__SWIG_0(SEXP self,SEXP type)32692 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_GetData__SWIG_0 ( SEXP self, SEXP type) { OpenBabel::OBGenericData *result = 0 ;
32693   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
32694   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32695   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32696     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_GetData" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32697    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); ecode2 = SWIG_AsVal_int(type, &val2);
32698   if (!SWIG_IsOK(ecode2)) {
32699     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolBondBFSIter_GetData" "', argument " "2"" of type '" "unsigned int""'"); }
32700     arg2 = static_cast< unsigned int >(val2); result = (OpenBabel::OBGenericData *)(*arg1)->GetData(arg2);
32701   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGenericData, R_SWIG_EXTERNAL |  0 );
32702   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_GetData__SWIG_1(SEXP self,SEXP s_arg2)32703 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_GetData__SWIG_1 ( SEXP self, SEXP s_arg2) { OpenBabel::OBGenericData *result = 0 ;
32704   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ;
32705   int res1 = 0 ; int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32706   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32707     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_GetData" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32708    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); { std::string *ptr = (std::string *)0;
32709     res2 = SWIG_AsPtr_std_string(s_arg2, &ptr); if (!SWIG_IsOK(res2)) {
32710       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolBondBFSIter_GetData" "', argument " "2"" of type '" "std::string const &""'"); }
32711      if (!ptr) {
32712       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolBondBFSIter_GetData" "', argument " "2"" of type '" "std::string const &""'"); }
32713      arg2 = ptr; }  result = (OpenBabel::OBGenericData *)(*arg1)->GetData((std::string const &)*arg2);
32714   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGenericData, R_SWIG_EXTERNAL |  0 );
32715   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_GetData__SWIG_2(SEXP self,SEXP s_swig_copy)32716 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_GetData__SWIG_2 ( SEXP self, SEXP s_swig_copy) {
32717   std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > *result = 0 ;
32718   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32719   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32720   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32721     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_GetData" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32722    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1);
32723   result = (std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > *) &(*arg1)->GetData();
32724   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t, R_SWIG_EXTERNAL |  0 );
32725   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_GetData__SWIG_3(SEXP self,SEXP source,SEXP s_swig_copy)32726 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_GetData__SWIG_3 ( SEXP self, SEXP source, SEXP s_swig_copy) {
32727   std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > result;
32728   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; OpenBabel::DataOrigin arg2 ; void *argp1 = 0 ;
32729   int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
32730   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 );
32731   if (!SWIG_IsOK(res1)) {
32732     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_GetData" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32733    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); ecode2 = SWIG_AsVal_int(source, &val2);
32734   if (!SWIG_IsOK(ecode2)) {
32735     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolBondBFSIter_GetData" "', argument " "2"" of type '" "OpenBabel::DataOrigin""'"); }
32736     arg2 = static_cast< OpenBabel::DataOrigin >(val2); result = (*arg1)->GetData(arg2);
32737   r_ans = swig::from(static_cast< std::vector<OpenBabel::OBGenericData*,std::allocator< OpenBabel::OBGenericData * > > >(result));
32738   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_GetAllData(SEXP self,SEXP type,SEXP s_swig_copy)32739 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_GetAllData ( SEXP self, SEXP type, SEXP s_swig_copy) {
32740   std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > result;
32741   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
32742   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32743   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32744     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_GetAllData" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32745    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); ecode2 = SWIG_AsVal_int(type, &val2);
32746   if (!SWIG_IsOK(ecode2)) {
32747     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolBondBFSIter_GetAllData" "', argument " "2"" of type '" "unsigned int""'"); }
32748     arg2 = static_cast< unsigned int >(val2); result = (*arg1)->GetAllData(arg2);
32749   r_ans = swig::from(static_cast< std::vector<OpenBabel::OBGenericData*,std::allocator< OpenBabel::OBGenericData * > > >(result));
32750   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_BeginData(SEXP self,SEXP s_swig_copy)32751 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_BeginData ( SEXP self, SEXP s_swig_copy) {
32752   SwigValueWrapper< std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > >::iterator > result;
32753   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32754   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32755   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32756     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_BeginData" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32757    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); result = (*arg1)->BeginData();
32758   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBDataIterator(static_cast< const OpenBabel::OBDataIterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
32759   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondBFSIter_EndData(SEXP self,SEXP s_swig_copy)32760 SWIGEXPORT SEXP R_swig_OBMolBondBFSIter_EndData ( SEXP self, SEXP s_swig_copy) {
32761   SwigValueWrapper< std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > >::iterator > result;
32762   OpenBabel::OBMolBondBFSIter *arg1 = (OpenBabel::OBMolBondBFSIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32763   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32764   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondBFSIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32765     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondBFSIter_EndData" "', argument " "1"" of type '" "OpenBabel::OBMolBondBFSIter *""'");  }
32766    arg1 = reinterpret_cast< OpenBabel::OBMolBondBFSIter * >(argp1); result = (*arg1)->EndData();
32767   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBDataIterator(static_cast< const OpenBabel::OBDataIterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
32768   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBMolBondIter__SWIG_0()32769 SWIGEXPORT SEXP R_swig_new_OBMolBondIter__SWIG_0 ( ) { OpenBabel::OBMolBondIter *result = 0 ; unsigned int r_nprotect = 0;
32770   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBMolBondIter *)new OpenBabel::OBMolBondIter();
32771   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMolBondIter, R_SWIG_OWNER |  0 );
32772   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBMolBondIter__SWIG_1(SEXP mol)32773 SWIGEXPORT SEXP R_swig_new_OBMolBondIter__SWIG_1 ( SEXP mol) { OpenBabel::OBMolBondIter *result = 0 ;
32774   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
32775   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32776   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32777     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBMolBondIter" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
32778    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
32779   result = (OpenBabel::OBMolBondIter *)new OpenBabel::OBMolBondIter(arg1);
32780   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMolBondIter, R_SWIG_OWNER |  0 );
32781   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBMolBondIter__SWIG_2(SEXP bi)32782 SWIGEXPORT SEXP R_swig_new_OBMolBondIter__SWIG_2 ( SEXP bi) { OpenBabel::OBMolBondIter *result = 0 ;
32783   OpenBabel::OBMolBondIter *arg1 = 0 ; void *argp1 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
32784   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(bi, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter,  0 );
32785   if (!SWIG_IsOK(res1)) {
32786     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBMolBondIter" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter const &""'");  }
32787    if (!argp1) {
32788     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBMolBondIter" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter const &""'"); }
32789    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1);
32790   result = (OpenBabel::OBMolBondIter *)new OpenBabel::OBMolBondIter((OpenBabel::OBMolBondIter const &)*arg1);
32791   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMolBondIter, R_SWIG_OWNER |  0 );
32792   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBMolBondIter(SEXP self)32793 SWIGEXPORT SEXP R_swig_delete_OBMolBondIter ( SEXP self) { OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ;
32794   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32795   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, SWIG_POINTER_DISOWN |  0 );
32796   if (!SWIG_IsOK(res1)) {
32797     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBMolBondIter" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
32798    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
32799   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBMolBondIter_HasMore(SEXP self,SEXP s_swig_copy)32800 SWIGEXPORT SEXP R_swig_OBMolBondIter_HasMore ( SEXP self, SEXP s_swig_copy) { bool result;
32801   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32802   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32803   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32804     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_HasMore" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter const *""'");  }
32805    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1);
32806   result = (bool)((OpenBabel::OBMolBondIter const *)arg1)->operator bool(); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
32807   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_inc__SWIG_0(SEXP self,SEXP s_swig_copy)32808 SWIGEXPORT SEXP R_swig_OBMolBondIter_inc__SWIG_0 ( SEXP self, SEXP s_swig_copy) { OpenBabel::OBMolBondIter *result = 0 ;
32809   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32810   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32811   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32812     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_inc" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
32813    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (OpenBabel::OBMolBondIter *) &(arg1)->operator ++();
32814   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMolBondIter, R_SWIG_EXTERNAL |  0 );
32815   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_inc__SWIG_1(SEXP self,SEXP s_arg2,SEXP s_swig_copy)32816 SWIGEXPORT SEXP R_swig_OBMolBondIter_inc__SWIG_1 ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { OpenBabel::OBMolBondIter result;
32817   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
32818   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32819   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32820     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_inc" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
32821    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
32822   result = (arg1)->operator ++(arg2);
32823   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBMolBondIter(static_cast< const OpenBabel::OBMolBondIter& >(result))), SWIGTYPE_p_OpenBabel__OBMolBondIter, SWIG_POINTER_OWN |  0 );
32824   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter___deref__(SEXP self)32825 SWIGEXPORT SEXP R_swig_OBMolBondIter___deref__ ( SEXP self) { OpenBabel::OBBond *result = 0 ;
32826   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32827   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32828   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32829     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter___deref__" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter const *""'");  }
32830    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1);
32831   result = (OpenBabel::OBBond *)((OpenBabel::OBMolBondIter const *)arg1)->operator ->();
32832   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
32833   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter___ref__(SEXP self,SEXP s_swig_copy)32834 SWIGEXPORT SEXP R_swig_OBMolBondIter___ref__ ( SEXP self, SEXP s_swig_copy) { OpenBabel::OBBond *result = 0 ;
32835   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32836   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32837   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32838     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter___ref__" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter const *""'");  }
32839    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1);
32840   result = (OpenBabel::OBBond *) &((OpenBabel::OBMolBondIter const *)arg1)->operator *();
32841   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
32842   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_Visit_set(SEXP self,SEXP s_Visit)32843 SWIGEXPORT SEXP R_swig_OBMolBondIter_Visit_set ( SEXP self, SEXP s_Visit) {
32844   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
32845   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32846   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32847     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
32848    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); arg2 = LOGICAL(s_Visit)[0] ? true : false;
32849   if (arg1) (*arg1)->Visit = arg2; r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_Visit_get(SEXP self,SEXP s_swig_copy)32850 SWIGEXPORT SEXP R_swig_OBMolBondIter_Visit_get ( SEXP self, SEXP s_swig_copy) { bool result;
32851   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32852   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32853   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32854     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
32855    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (bool) ((*arg1)->Visit);
32856   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_SetIdx(SEXP self,SEXP idx)32857 SWIGEXPORT SEXP R_swig_OBMolBondIter_SetIdx ( SEXP self, SEXP idx) {
32858   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
32859   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32860   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32861     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_SetIdx" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
32862    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); arg2 = static_cast< int >(INTEGER(idx)[0]);
32863   (*arg1)->SetIdx(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_SetId(SEXP self,SEXP id)32864 SWIGEXPORT SEXP R_swig_OBMolBondIter_SetId ( SEXP self, SEXP id) {
32865   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; unsigned long arg2 ; void *argp1 = 0 ; int res1 = 0 ;
32866   long val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32867   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32868     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_SetId" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
32869    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); ecode2 = SWIG_AsVal_long(id, &val2); if (!SWIG_IsOK(ecode2)) {
32870     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolBondIter_SetId" "', argument " "2"" of type '" "unsigned long""'"); }
32871     arg2 = static_cast< unsigned long >(val2); (*arg1)->SetId(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
32872   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_SetBO(SEXP self,SEXP order)32873 SWIGEXPORT SEXP R_swig_OBMolBondIter_SetBO ( SEXP self, SEXP order) {
32874   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
32875   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32876   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32877     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_SetBO" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
32878    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); arg2 = static_cast< int >(INTEGER(order)[0]);
32879   (*arg1)->SetBO(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_SetBondOrder(SEXP self,SEXP order)32880 SWIGEXPORT SEXP R_swig_OBMolBondIter_SetBondOrder ( SEXP self, SEXP order) {
32881   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
32882   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32883   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32884     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_SetBondOrder" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
32885    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); arg2 = static_cast< int >(INTEGER(order)[0]);
32886   (*arg1)->SetBondOrder(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_SetBegin(SEXP self,SEXP begin)32887 SWIGEXPORT SEXP R_swig_OBMolBondIter_SetBegin ( SEXP self, SEXP begin) {
32888   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
32889   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
32890   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 );
32891   if (!SWIG_IsOK(res1)) {
32892     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_SetBegin" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
32893    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1);
32894   res2 = SWIG_R_ConvertPtr(begin, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
32895     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolBondIter_SetBegin" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
32896    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); (*arg1)->SetBegin(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
32897   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_SetEnd(SEXP self,SEXP end)32898 SWIGEXPORT SEXP R_swig_OBMolBondIter_SetEnd ( SEXP self, SEXP end) {
32899   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
32900   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
32901   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 );
32902   if (!SWIG_IsOK(res1)) {
32903     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_SetEnd" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
32904    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1);
32905   res2 = SWIG_R_ConvertPtr(end, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
32906     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolBondIter_SetEnd" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
32907    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); (*arg1)->SetEnd(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
32908   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_SetParent(SEXP self,SEXP ptr)32909 SWIGEXPORT SEXP R_swig_OBMolBondIter_SetParent ( SEXP self, SEXP ptr) {
32910   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ;
32911   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
32912   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 );
32913   if (!SWIG_IsOK(res1)) {
32914     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_SetParent" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
32915    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1);
32916   res2 = SWIG_R_ConvertPtr(ptr, &argp2, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res2)) {
32917     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolBondIter_SetParent" "', argument " "2"" of type '" "OpenBabel::OBMol *""'");  }
32918    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); (*arg1)->SetParent(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
32919   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_SetLength__SWIG_0(SEXP self,SEXP fixed,SEXP length)32920 SWIGEXPORT SEXP R_swig_OBMolBondIter_SetLength__SWIG_0 ( SEXP self, SEXP fixed, SEXP length) {
32921   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
32922   double arg3 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0;
32923   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32924   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32925     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_SetLength" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
32926    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1);
32927   res2 = SWIG_R_ConvertPtr(fixed, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
32928     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolBondIter_SetLength" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
32929    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); arg3 = static_cast< double >(REAL(length)[0]);
32930   (*arg1)->SetLength(arg2,arg3); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_SetLength__SWIG_1(SEXP self,SEXP length)32931 SWIGEXPORT SEXP R_swig_OBMolBondIter_SetLength__SWIG_1 ( SEXP self, SEXP length) {
32932   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; double arg2 ; void *argp1 = 0 ; int res1 = 0 ;
32933   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32934   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32935     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_SetLength" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
32936    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); arg2 = static_cast< double >(REAL(length)[0]);
32937   (*arg1)->SetLength(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_Set(SEXP self,SEXP index,SEXP begin,SEXP end,SEXP order,SEXP flags)32938 SWIGEXPORT SEXP R_swig_OBMolBondIter_Set ( SEXP self, SEXP index, SEXP begin, SEXP end, SEXP order, SEXP flags) {
32939   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; int arg2 ;
32940   OpenBabel::OBAtom *arg3 = (OpenBabel::OBAtom *) 0 ; OpenBabel::OBAtom *arg4 = (OpenBabel::OBAtom *) 0 ; int arg5 ; int arg6 ;
32941   void *argp1 = 0 ; int res1 = 0 ; void *argp3 = 0 ; int res3 = 0 ; void *argp4 = 0 ; int res4 = 0 ;
32942   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32943   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32944     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_Set" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
32945    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); arg2 = static_cast< int >(INTEGER(index)[0]);
32946   res3 = SWIG_R_ConvertPtr(begin, &argp3, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res3)) {
32947     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBMolBondIter_Set" "', argument " "3"" of type '" "OpenBabel::OBAtom *""'");  }
32948    arg3 = reinterpret_cast< OpenBabel::OBAtom * >(argp3);
32949   res4 = SWIG_R_ConvertPtr(end, &argp4, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res4)) {
32950     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "OBMolBondIter_Set" "', argument " "4"" of type '" "OpenBabel::OBAtom *""'");  }
32951    arg4 = reinterpret_cast< OpenBabel::OBAtom * >(argp4); arg5 = static_cast< int >(INTEGER(order)[0]);
32952   arg6 = static_cast< int >(INTEGER(flags)[0]); (*arg1)->Set(arg2,arg3,arg4,arg5,arg6); r_ans = R_NilValue; vmaxset(r_vmax);
32953   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_SetKSingle(SEXP self)32954 SWIGEXPORT SEXP R_swig_OBMolBondIter_SetKSingle ( SEXP self) { OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ;
32955   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32956   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32957     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_SetKSingle" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
32958    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); (*arg1)->SetKSingle(); r_ans = R_NilValue; vmaxset(r_vmax);
32959   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_SetKDouble(SEXP self)32960 SWIGEXPORT SEXP R_swig_OBMolBondIter_SetKDouble ( SEXP self) { OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ;
32961   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32962   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32963     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_SetKDouble" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
32964    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); (*arg1)->SetKDouble(); r_ans = R_NilValue; vmaxset(r_vmax);
32965   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_SetKTriple(SEXP self)32966 SWIGEXPORT SEXP R_swig_OBMolBondIter_SetKTriple ( SEXP self) { OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ;
32967   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32968   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32969     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_SetKTriple" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
32970    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); (*arg1)->SetKTriple(); r_ans = R_NilValue; vmaxset(r_vmax);
32971   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_SetAromatic(SEXP self)32972 SWIGEXPORT SEXP R_swig_OBMolBondIter_SetAromatic ( SEXP self) {
32973   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32974   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32975   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32976     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_SetAromatic" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
32977    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); (*arg1)->SetAromatic(); r_ans = R_NilValue; vmaxset(r_vmax);
32978   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_SetWedge(SEXP self)32979 SWIGEXPORT SEXP R_swig_OBMolBondIter_SetWedge ( SEXP self) { OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ;
32980   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32981   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32982     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_SetWedge" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
32983    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); (*arg1)->SetWedge(); r_ans = R_NilValue; vmaxset(r_vmax);
32984   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_SetHash(SEXP self)32985 SWIGEXPORT SEXP R_swig_OBMolBondIter_SetHash ( SEXP self) { OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ;
32986   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32987   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32988     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_SetHash" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
32989    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); (*arg1)->SetHash(); r_ans = R_NilValue; vmaxset(r_vmax);
32990   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_SetWedgeOrHash(SEXP self)32991 SWIGEXPORT SEXP R_swig_OBMolBondIter_SetWedgeOrHash ( SEXP self) {
32992   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
32993   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
32994   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
32995     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_SetWedgeOrHash" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
32996    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); (*arg1)->SetWedgeOrHash(); r_ans = R_NilValue; vmaxset(r_vmax);
32997   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_SetUp(SEXP self)32998 SWIGEXPORT SEXP R_swig_OBMolBondIter_SetUp ( SEXP self) { OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ;
32999   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33000   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33001     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_SetUp" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33002    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); (*arg1)->SetUp(); r_ans = R_NilValue; vmaxset(r_vmax);
33003   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_SetDown(SEXP self)33004 SWIGEXPORT SEXP R_swig_OBMolBondIter_SetDown ( SEXP self) { OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ;
33005   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33006   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33007     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_SetDown" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33008    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); (*arg1)->SetDown(); r_ans = R_NilValue; vmaxset(r_vmax);
33009   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_SetInRing__SWIG_0(SEXP self,SEXP set)33010 SWIGEXPORT SEXP R_swig_OBMolBondIter_SetInRing__SWIG_0 ( SEXP self, SEXP set) {
33011   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
33012   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33013   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33014     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_SetInRing" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33015    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); arg2 = LOGICAL(set)[0] ? true : false;
33016   (*arg1)->SetInRing(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_SetInRing__SWIG_1(SEXP self)33017 SWIGEXPORT SEXP R_swig_OBMolBondIter_SetInRing__SWIG_1 ( SEXP self) {
33018   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33019   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33020   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33021     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_SetInRing" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33022    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); (*arg1)->SetInRing(); r_ans = R_NilValue; vmaxset(r_vmax);
33023   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_SetClosure(SEXP self)33024 SWIGEXPORT SEXP R_swig_OBMolBondIter_SetClosure ( SEXP self) { OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ;
33025   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33026   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33027     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_SetClosure" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33028    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); (*arg1)->SetClosure(); r_ans = R_NilValue; vmaxset(r_vmax);
33029   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_UnsetHash(SEXP self)33030 SWIGEXPORT SEXP R_swig_OBMolBondIter_UnsetHash ( SEXP self) { OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ;
33031   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33032   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33033     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_UnsetHash" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33034    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); (*arg1)->UnsetHash(); r_ans = R_NilValue; vmaxset(r_vmax);
33035   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_UnsetWedge(SEXP self)33036 SWIGEXPORT SEXP R_swig_OBMolBondIter_UnsetWedge ( SEXP self) { OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ;
33037   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33038   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33039     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_UnsetWedge" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33040    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); (*arg1)->UnsetWedge(); r_ans = R_NilValue; vmaxset(r_vmax);
33041   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_UnsetUp(SEXP self)33042 SWIGEXPORT SEXP R_swig_OBMolBondIter_UnsetUp ( SEXP self) { OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ;
33043   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33044   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33045     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_UnsetUp" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33046    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); (*arg1)->UnsetUp(); r_ans = R_NilValue; vmaxset(r_vmax);
33047   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_UnsetDown(SEXP self)33048 SWIGEXPORT SEXP R_swig_OBMolBondIter_UnsetDown ( SEXP self) { OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ;
33049   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33050   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33051     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_UnsetDown" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33052    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); (*arg1)->UnsetDown(); r_ans = R_NilValue; vmaxset(r_vmax);
33053   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_UnsetAromatic(SEXP self)33054 SWIGEXPORT SEXP R_swig_OBMolBondIter_UnsetAromatic ( SEXP self) {
33055   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33056   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33057   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33058     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_UnsetAromatic" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33059    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); (*arg1)->UnsetAromatic(); r_ans = R_NilValue; vmaxset(r_vmax);
33060   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_UnsetKekule(SEXP self)33061 SWIGEXPORT SEXP R_swig_OBMolBondIter_UnsetKekule ( SEXP self) {
33062   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33063   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33064   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33065     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_UnsetKekule" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33066    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); (*arg1)->UnsetKekule(); r_ans = R_NilValue; vmaxset(r_vmax);
33067   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_GetIdx(SEXP self,SEXP s_swig_copy)33068 SWIGEXPORT SEXP R_swig_OBMolBondIter_GetIdx ( SEXP self, SEXP s_swig_copy) { unsigned int result;
33069   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33070   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33071   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33072     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_GetIdx" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter const *""'");  }
33073    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (unsigned int)(*arg1)->GetIdx();
33074   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_GetId(SEXP self,SEXP s_swig_copy)33075 SWIGEXPORT SEXP R_swig_OBMolBondIter_GetId ( SEXP self, SEXP s_swig_copy) { unsigned long result;
33076   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33077   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33078   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33079     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_GetId" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter const *""'");  }
33080    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (unsigned long)(*arg1)->GetId();
33081   r_ans = SWIG_From_long(static_cast< long >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_GetBO(SEXP self,SEXP s_swig_copy)33082 SWIGEXPORT SEXP R_swig_OBMolBondIter_GetBO ( SEXP self, SEXP s_swig_copy) { unsigned int result;
33083   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33084   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33085   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33086     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_GetBO" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter const *""'");  }
33087    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (unsigned int)(*arg1)->GetBO();
33088   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_GetBondOrder(SEXP self,SEXP s_swig_copy)33089 SWIGEXPORT SEXP R_swig_OBMolBondIter_GetBondOrder ( SEXP self, SEXP s_swig_copy) { unsigned int result;
33090   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33091   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33092   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33093     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_GetBondOrder" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter const *""'");  }
33094    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (unsigned int)(*arg1)->GetBondOrder();
33095   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_GetFlags(SEXP self,SEXP s_swig_copy)33096 SWIGEXPORT SEXP R_swig_OBMolBondIter_GetFlags ( SEXP self, SEXP s_swig_copy) { unsigned int result;
33097   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33098   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33099   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33100     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_GetFlags" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter const *""'");  }
33101    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (unsigned int)(*arg1)->GetFlags();
33102   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_GetBeginAtomIdx(SEXP self,SEXP s_swig_copy)33103 SWIGEXPORT SEXP R_swig_OBMolBondIter_GetBeginAtomIdx ( SEXP self, SEXP s_swig_copy) { unsigned int result;
33104   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33105   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33106   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33107     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_GetBeginAtomIdx" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter const *""'");  }
33108    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (unsigned int)(*arg1)->GetBeginAtomIdx();
33109   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_GetEndAtomIdx(SEXP self,SEXP s_swig_copy)33110 SWIGEXPORT SEXP R_swig_OBMolBondIter_GetEndAtomIdx ( SEXP self, SEXP s_swig_copy) { unsigned int result;
33111   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33112   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33113   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33114     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_GetEndAtomIdx" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter const *""'");  }
33115    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (unsigned int)(*arg1)->GetEndAtomIdx();
33116   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_GetBeginAtom(SEXP self)33117 SWIGEXPORT SEXP R_swig_OBMolBondIter_GetBeginAtom ( SEXP self) { OpenBabel::OBAtom *result = 0 ;
33118   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33119   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33120   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33121     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_GetBeginAtom" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33122    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (OpenBabel::OBAtom *)(*arg1)->GetBeginAtom();
33123   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
33124   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_GetEndAtom(SEXP self)33125 SWIGEXPORT SEXP R_swig_OBMolBondIter_GetEndAtom ( SEXP self) { OpenBabel::OBAtom *result = 0 ;
33126   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33127   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33128   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33129     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_GetEndAtom" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33130    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (OpenBabel::OBAtom *)(*arg1)->GetEndAtom();
33131   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
33132   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_GetNbrAtom(SEXP self,SEXP ptr)33133 SWIGEXPORT SEXP R_swig_OBMolBondIter_GetNbrAtom ( SEXP self, SEXP ptr) { OpenBabel::OBAtom *result = 0 ;
33134   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
33135   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
33136   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 );
33137   if (!SWIG_IsOK(res1)) {
33138     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_GetNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33139    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1);
33140   res2 = SWIG_R_ConvertPtr(ptr, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
33141     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolBondIter_GetNbrAtom" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
33142    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (OpenBabel::OBAtom *)(*arg1)->GetNbrAtom(arg2);
33143   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
33144   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_GetParent(SEXP self)33145 SWIGEXPORT SEXP R_swig_OBMolBondIter_GetParent ( SEXP self) { OpenBabel::OBMol *result = 0 ;
33146   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33147   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33148   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33149     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_GetParent" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33150    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (OpenBabel::OBMol *)(*arg1)->GetParent();
33151   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMol, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
33152   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_GetEquibLength(SEXP self,SEXP s_swig_copy)33153 SWIGEXPORT SEXP R_swig_OBMolBondIter_GetEquibLength ( SEXP self, SEXP s_swig_copy) { double result;
33154   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33155   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33156   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33157     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_GetEquibLength" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter const *""'");  }
33158    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (double)(*arg1)->GetEquibLength();
33159   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
33160   return r_ans; }
R_swig_OBMolBondIter_GetLength(SEXP self,SEXP s_swig_copy)33161 SWIGEXPORT SEXP R_swig_OBMolBondIter_GetLength ( SEXP self, SEXP s_swig_copy) { double result;
33162   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33163   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33164   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33165     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_GetLength" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter const *""'");  }
33166    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (double)(*arg1)->GetLength();
33167   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
33168   return r_ans; }
R_swig_OBMolBondIter_GetNbrAtomIdx(SEXP self,SEXP ptr,SEXP s_swig_copy)33169 SWIGEXPORT SEXP R_swig_OBMolBondIter_GetNbrAtomIdx ( SEXP self, SEXP ptr, SEXP s_swig_copy) { unsigned int result;
33170   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
33171   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
33172   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 );
33173   if (!SWIG_IsOK(res1)) {
33174     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_GetNbrAtomIdx" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33175    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1);
33176   res2 = SWIG_R_ConvertPtr(ptr, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
33177     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolBondIter_GetNbrAtomIdx" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
33178    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (unsigned int)(*arg1)->GetNbrAtomIdx(arg2);
33179   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_FindSmallestRing(SEXP self)33180 SWIGEXPORT SEXP R_swig_OBMolBondIter_FindSmallestRing ( SEXP self) { OpenBabel::OBRing *result = 0 ;
33181   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33182   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33183   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33184     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_FindSmallestRing" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter const *""'");  }
33185    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (OpenBabel::OBRing *)(*arg1)->FindSmallestRing();
33186   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBRing, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
33187   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_IsAromatic(SEXP self,SEXP s_swig_copy)33188 SWIGEXPORT SEXP R_swig_OBMolBondIter_IsAromatic ( SEXP self, SEXP s_swig_copy) { bool result;
33189   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33190   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33191   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33192     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_IsAromatic" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter const *""'");  }
33193    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (bool)(*arg1)->IsAromatic();
33194   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_IsInRing(SEXP self,SEXP s_swig_copy)33195 SWIGEXPORT SEXP R_swig_OBMolBondIter_IsInRing ( SEXP self, SEXP s_swig_copy) { bool result;
33196   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33197   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33198   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33199     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_IsInRing" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter const *""'");  }
33200    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (bool)(*arg1)->IsInRing();
33201   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_IsRotor(SEXP self,SEXP s_swig_copy)33202 SWIGEXPORT SEXP R_swig_OBMolBondIter_IsRotor ( SEXP self, SEXP s_swig_copy) { bool result;
33203   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33204   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33205   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33206     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_IsRotor" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33207    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (bool)(*arg1)->IsRotor();
33208   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_IsAmide(SEXP self,SEXP s_swig_copy)33209 SWIGEXPORT SEXP R_swig_OBMolBondIter_IsAmide ( SEXP self, SEXP s_swig_copy) { bool result;
33210   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33211   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33212   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33213     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_IsAmide" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33214    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (bool)(*arg1)->IsAmide();
33215   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_IsPrimaryAmide(SEXP self,SEXP s_swig_copy)33216 SWIGEXPORT SEXP R_swig_OBMolBondIter_IsPrimaryAmide ( SEXP self, SEXP s_swig_copy) { bool result;
33217   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33218   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33219   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33220     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_IsPrimaryAmide" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33221    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (bool)(*arg1)->IsPrimaryAmide();
33222   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_IsSecondaryAmide(SEXP self,SEXP s_swig_copy)33223 SWIGEXPORT SEXP R_swig_OBMolBondIter_IsSecondaryAmide ( SEXP self, SEXP s_swig_copy) { bool result;
33224   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33225   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33226   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33227     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_IsSecondaryAmide" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33228    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (bool)(*arg1)->IsSecondaryAmide();
33229   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_IsTertiaryAmide(SEXP self,SEXP s_swig_copy)33230 SWIGEXPORT SEXP R_swig_OBMolBondIter_IsTertiaryAmide ( SEXP self, SEXP s_swig_copy) { bool result;
33231   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33232   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33233   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33234     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_IsTertiaryAmide" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33235    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (bool)(*arg1)->IsTertiaryAmide();
33236   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_IsAmidine(SEXP self,SEXP s_swig_copy)33237 SWIGEXPORT SEXP R_swig_OBMolBondIter_IsAmidine ( SEXP self, SEXP s_swig_copy) { bool result;
33238   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33239   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33240   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33241     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_IsAmidine" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33242    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (bool)(*arg1)->IsAmidine();
33243   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_IsEster(SEXP self,SEXP s_swig_copy)33244 SWIGEXPORT SEXP R_swig_OBMolBondIter_IsEster ( SEXP self, SEXP s_swig_copy) { bool result;
33245   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33246   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33247   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33248     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_IsEster" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33249    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (bool)(*arg1)->IsEster();
33250   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_IsCarbonyl(SEXP self,SEXP s_swig_copy)33251 SWIGEXPORT SEXP R_swig_OBMolBondIter_IsCarbonyl ( SEXP self, SEXP s_swig_copy) { bool result;
33252   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33253   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33254   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33255     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_IsCarbonyl" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33256    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (bool)(*arg1)->IsCarbonyl();
33257   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_IsImide(SEXP self,SEXP s_swig_copy)33258 SWIGEXPORT SEXP R_swig_OBMolBondIter_IsImide ( SEXP self, SEXP s_swig_copy) { bool result;
33259   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33260   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33261   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33262     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_IsImide" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33263    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (bool)(*arg1)->IsImide();
33264   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_IsSingle(SEXP self,SEXP s_swig_copy)33265 SWIGEXPORT SEXP R_swig_OBMolBondIter_IsSingle ( SEXP self, SEXP s_swig_copy) { bool result;
33266   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33267   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33268   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33269     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_IsSingle" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33270    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (bool)(*arg1)->IsSingle();
33271   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_IsDouble(SEXP self,SEXP s_swig_copy)33272 SWIGEXPORT SEXP R_swig_OBMolBondIter_IsDouble ( SEXP self, SEXP s_swig_copy) { bool result;
33273   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33274   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33275   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33276     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_IsDouble" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33277    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (bool)(*arg1)->IsDouble();
33278   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_IsTriple(SEXP self,SEXP s_swig_copy)33279 SWIGEXPORT SEXP R_swig_OBMolBondIter_IsTriple ( SEXP self, SEXP s_swig_copy) { bool result;
33280   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33281   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33282   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33283     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_IsTriple" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33284    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (bool)(*arg1)->IsTriple();
33285   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_IsKSingle(SEXP self,SEXP s_swig_copy)33286 SWIGEXPORT SEXP R_swig_OBMolBondIter_IsKSingle ( SEXP self, SEXP s_swig_copy) { bool result;
33287   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33288   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33289   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33290     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_IsKSingle" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33291    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (bool)(*arg1)->IsKSingle();
33292   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_IsKDouble(SEXP self,SEXP s_swig_copy)33293 SWIGEXPORT SEXP R_swig_OBMolBondIter_IsKDouble ( SEXP self, SEXP s_swig_copy) { bool result;
33294   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33295   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33296   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33297     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_IsKDouble" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33298    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (bool)(*arg1)->IsKDouble();
33299   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_IsKTriple(SEXP self,SEXP s_swig_copy)33300 SWIGEXPORT SEXP R_swig_OBMolBondIter_IsKTriple ( SEXP self, SEXP s_swig_copy) { bool result;
33301   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33302   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33303   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33304     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_IsKTriple" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33305    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (bool)(*arg1)->IsKTriple();
33306   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_IsClosure(SEXP self,SEXP s_swig_copy)33307 SWIGEXPORT SEXP R_swig_OBMolBondIter_IsClosure ( SEXP self, SEXP s_swig_copy) { bool result;
33308   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33309   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33310   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33311     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_IsClosure" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33312    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (bool)(*arg1)->IsClosure();
33313   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_IsUp(SEXP self,SEXP s_swig_copy)33314 SWIGEXPORT SEXP R_swig_OBMolBondIter_IsUp ( SEXP self, SEXP s_swig_copy) { bool result;
33315   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33316   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33317   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33318     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_IsUp" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33319    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (bool)(*arg1)->IsUp();
33320   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_IsDown(SEXP self,SEXP s_swig_copy)33321 SWIGEXPORT SEXP R_swig_OBMolBondIter_IsDown ( SEXP self, SEXP s_swig_copy) { bool result;
33322   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33323   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33324   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33325     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_IsDown" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33326    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (bool)(*arg1)->IsDown();
33327   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_IsWedge(SEXP self,SEXP s_swig_copy)33328 SWIGEXPORT SEXP R_swig_OBMolBondIter_IsWedge ( SEXP self, SEXP s_swig_copy) { bool result;
33329   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33330   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33331   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33332     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_IsWedge" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33333    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (bool)(*arg1)->IsWedge();
33334   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_IsHash(SEXP self,SEXP s_swig_copy)33335 SWIGEXPORT SEXP R_swig_OBMolBondIter_IsHash ( SEXP self, SEXP s_swig_copy) { bool result;
33336   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33337   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33338   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33339     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_IsHash" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33340    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (bool)(*arg1)->IsHash();
33341   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_IsWedgeOrHash(SEXP self,SEXP s_swig_copy)33342 SWIGEXPORT SEXP R_swig_OBMolBondIter_IsWedgeOrHash ( SEXP self, SEXP s_swig_copy) { bool result;
33343   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33344   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33345   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33346     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_IsWedgeOrHash" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter const *""'");  }
33347    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (bool)(*arg1)->IsWedgeOrHash();
33348   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_IsCisOrTrans(SEXP self,SEXP s_swig_copy)33349 SWIGEXPORT SEXP R_swig_OBMolBondIter_IsCisOrTrans ( SEXP self, SEXP s_swig_copy) { bool result;
33350   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33351   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33352   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33353     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_IsCisOrTrans" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter const *""'");  }
33354    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (bool)(*arg1)->IsCisOrTrans();
33355   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_IsDoubleBondGeometry(SEXP self,SEXP s_swig_copy)33356 SWIGEXPORT SEXP R_swig_OBMolBondIter_IsDoubleBondGeometry ( SEXP self, SEXP s_swig_copy) { bool result;
33357   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33358   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33359   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33360     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_IsDoubleBondGeometry" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33361    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (bool)(*arg1)->IsDoubleBondGeometry();
33362   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_Clear(SEXP self,SEXP s_swig_copy)33363 SWIGEXPORT SEXP R_swig_OBMolBondIter_Clear ( SEXP self, SEXP s_swig_copy) { bool result;
33364   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33365   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33366   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33367     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_Clear" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33368    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (bool)(*arg1)->Clear();
33369   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_DoTransformations(SEXP self,SEXP s_arg2,SEXP s_arg3)33370 SWIGEXPORT SEXP R_swig_OBMolBondIter_DoTransformations ( SEXP self, SEXP s_arg2, SEXP s_arg3) { OpenBabel::OBBase *result = 0 ;
33371   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ;
33372   std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > *arg2 = (std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > *) 0 ;
33373   OpenBabel::OBConversion *arg3 = (OpenBabel::OBConversion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
33374   int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
33375   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 );
33376   if (!SWIG_IsOK(res1)) {
33377     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_DoTransformations" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33378    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1);
33379   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_std__mapT_std__string_std__string_std__lessT_std__string_t_std__allocatorT_std__pairT_std__string_const_std__string_t_t_t, 0 |  0 );
33380   if (!SWIG_IsOK(res2)) {
33381     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolBondIter_DoTransformations" "', argument " "2"" of type '" "std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > const *""'");  }
33382 
33383   arg2 = reinterpret_cast< std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > * >(argp2);
33384   res3 = SWIG_R_ConvertPtr(s_arg3, &argp3, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res3)) {
33385     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBMolBondIter_DoTransformations" "', argument " "3"" of type '" "OpenBabel::OBConversion *""'");  }
33386    arg3 = reinterpret_cast< OpenBabel::OBConversion * >(argp3);
33387   result = (OpenBabel::OBBase *)(*arg1)->DoTransformations((std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > const *)arg2,arg3);
33388   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBase, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
33389   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_ClassDescription(SEXP self)33390 SWIGEXPORT SEXP R_swig_OBMolBondIter_ClassDescription ( SEXP self) { char *result = 0 ;
33391   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33392   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33393   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33394     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_ClassDescription" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33395    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (char *)(*arg1)->ClassDescription();
33396   r_ans = SWIG_FromCharPtr((const char *)result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_GetTitle__SWIG_0(SEXP self,SEXP replaceNewlines)33397 SWIGEXPORT SEXP R_swig_OBMolBondIter_GetTitle__SWIG_0 ( SEXP self, SEXP replaceNewlines) { char *result = 0 ;
33398   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
33399   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33400   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33401     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_GetTitle" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter const *""'");  }
33402    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); arg2 = LOGICAL(replaceNewlines)[0] ? true : false;
33403   result = (char *)(*arg1)->GetTitle(arg2); r_ans = SWIG_FromCharPtr((const char *)result); vmaxset(r_vmax);
33404   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_GetTitle__SWIG_1(SEXP self)33405 SWIGEXPORT SEXP R_swig_OBMolBondIter_GetTitle__SWIG_1 ( SEXP self) { char *result = 0 ;
33406   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33407   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33408   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33409     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_GetTitle" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter const *""'");  }
33410    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (char *)(*arg1)->GetTitle();
33411   r_ans = SWIG_FromCharPtr((const char *)result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_SetTitle(SEXP self,SEXP s_arg2)33412 SWIGEXPORT SEXP R_swig_OBMolBondIter_SetTitle ( SEXP self, SEXP s_arg2) {
33413   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; char *arg2 = (char *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33414   int res2 ; char *buf2 = 0 ; int alloc2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
33415   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 );
33416   if (!SWIG_IsOK(res1)) {
33417     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_SetTitle" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33418    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); res2 = SWIG_AsCharPtrAndSize(s_arg2, &buf2, NULL, &alloc2);
33419   if (!SWIG_IsOK(res2)) {
33420     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolBondIter_SetTitle" "', argument " "2"" of type '" "char const *""'"); }
33421    arg2 = reinterpret_cast< char * >(buf2); (*arg1)->SetTitle((char const *)arg2); r_ans = R_NilValue;
33422   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_HasData__SWIG_0(SEXP self,SEXP s_arg2,SEXP s_swig_copy)33423 SWIGEXPORT SEXP R_swig_OBMolBondIter_HasData__SWIG_0 ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
33424   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
33425   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33426   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33427     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_HasData" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33428    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); { std::string *ptr = (std::string *)0;
33429     res2 = SWIG_AsPtr_std_string(s_arg2, &ptr); if (!SWIG_IsOK(res2)) {
33430       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolBondIter_HasData" "', argument " "2"" of type '" "std::string const &""'"); }
33431      if (!ptr) {
33432       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolBondIter_HasData" "', argument " "2"" of type '" "std::string const &""'"); }
33433      arg2 = ptr; }  result = (bool)(*arg1)->HasData((std::string const &)*arg2); r_ans = Rf_ScalarLogical(result);
33434   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_HasData__SWIG_1(SEXP self,SEXP type,SEXP s_swig_copy)33435 SWIGEXPORT SEXP R_swig_OBMolBondIter_HasData__SWIG_1 ( SEXP self, SEXP type, SEXP s_swig_copy) { bool result;
33436   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
33437   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33438   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33439     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_HasData" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33440    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); ecode2 = SWIG_AsVal_int(type, &val2); if (!SWIG_IsOK(ecode2)) {
33441     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolBondIter_HasData" "', argument " "2"" of type '" "unsigned int""'"); }
33442     arg2 = static_cast< unsigned int >(val2); result = (bool)(*arg1)->HasData(arg2); r_ans = Rf_ScalarLogical(result);
33443   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_DeleteData__SWIG_0(SEXP self,SEXP type)33444 SWIGEXPORT SEXP R_swig_OBMolBondIter_DeleteData__SWIG_0 ( SEXP self, SEXP type) {
33445   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
33446   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33447   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33448     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_DeleteData" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33449    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); ecode2 = SWIG_AsVal_int(type, &val2); if (!SWIG_IsOK(ecode2)) {
33450     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolBondIter_DeleteData" "', argument " "2"" of type '" "unsigned int""'"); }
33451     arg2 = static_cast< unsigned int >(val2); (*arg1)->DeleteData(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
33452   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_DeleteData__SWIG_1(SEXP self,SEXP s_arg2)33453 SWIGEXPORT SEXP R_swig_OBMolBondIter_DeleteData__SWIG_1 ( SEXP self, SEXP s_arg2) {
33454   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ;
33455   OpenBabel::OBGenericData *arg2 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
33456   int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33457   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33458     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_DeleteData" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33459    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1);
33460   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res2)) {
33461     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolBondIter_DeleteData" "', argument " "2"" of type '" "OpenBabel::OBGenericData *""'");  }
33462    arg2 = reinterpret_cast< OpenBabel::OBGenericData * >(argp2); (*arg1)->DeleteData(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
33463   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_DeleteData__SWIG_2(SEXP self,SEXP s_arg2)33464 SWIGEXPORT SEXP R_swig_OBMolBondIter_DeleteData__SWIG_2 ( SEXP self, SEXP s_arg2) {
33465   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ;
33466   std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > *arg2 = 0 ; void *argp1 = 0 ;
33467   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
33468   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 );
33469   if (!SWIG_IsOK(res1)) {
33470     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_DeleteData" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33471    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1);
33472   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t,  0 );
33473   if (!SWIG_IsOK(res2)) {
33474     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolBondIter_DeleteData" "', argument " "2"" of type '" "std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > &""'");  }
33475    if (!argp2) {
33476     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolBondIter_DeleteData" "', argument " "2"" of type '" "std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > &""'"); }
33477    arg2 = reinterpret_cast< std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > * >(argp2);
33478   (*arg1)->DeleteData(*arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_DeleteData__SWIG_3(SEXP self,SEXP s,SEXP s_swig_copy)33479 SWIGEXPORT SEXP R_swig_OBMolBondIter_DeleteData__SWIG_3 ( SEXP self, SEXP s, SEXP s_swig_copy) { bool result;
33480   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
33481   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33482   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33483     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_DeleteData" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33484    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); { std::string *ptr = (std::string *)0;
33485     res2 = SWIG_AsPtr_std_string(s, &ptr); if (!SWIG_IsOK(res2)) {
33486       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolBondIter_DeleteData" "', argument " "2"" of type '" "std::string const &""'"); }
33487      if (!ptr) {
33488       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolBondIter_DeleteData" "', argument " "2"" of type '" "std::string const &""'"); }
33489      arg2 = ptr; }  result = (bool)(*arg1)->DeleteData((std::string const &)*arg2); r_ans = Rf_ScalarLogical(result);
33490   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_CloneData(SEXP self,SEXP d)33491 SWIGEXPORT SEXP R_swig_OBMolBondIter_CloneData ( SEXP self, SEXP d) {
33492   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ;
33493   OpenBabel::OBGenericData *arg2 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
33494   int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33495   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33496     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_CloneData" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33497    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1);
33498   res2 = SWIG_R_ConvertPtr(d, &argp2, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res2)) {
33499     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolBondIter_CloneData" "', argument " "2"" of type '" "OpenBabel::OBGenericData *""'");  }
33500    arg2 = reinterpret_cast< OpenBabel::OBGenericData * >(argp2); (*arg1)->CloneData(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
33501   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_DataSize(SEXP self,SEXP s_swig_copy)33502 SWIGEXPORT SEXP R_swig_OBMolBondIter_DataSize ( SEXP self, SEXP s_swig_copy) { size_t result;
33503   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33504   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33505   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33506     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_DataSize" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter const *""'");  }
33507    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (*arg1)->DataSize();
33508   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_GetData__SWIG_0(SEXP self,SEXP type)33509 SWIGEXPORT SEXP R_swig_OBMolBondIter_GetData__SWIG_0 ( SEXP self, SEXP type) { OpenBabel::OBGenericData *result = 0 ;
33510   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
33511   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33512   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33513     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_GetData" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33514    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); ecode2 = SWIG_AsVal_int(type, &val2); if (!SWIG_IsOK(ecode2)) {
33515     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolBondIter_GetData" "', argument " "2"" of type '" "unsigned int""'"); }
33516     arg2 = static_cast< unsigned int >(val2); result = (OpenBabel::OBGenericData *)(*arg1)->GetData(arg2);
33517   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGenericData, R_SWIG_EXTERNAL |  0 );
33518   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_GetData__SWIG_1(SEXP self,SEXP s_arg2)33519 SWIGEXPORT SEXP R_swig_OBMolBondIter_GetData__SWIG_1 ( SEXP self, SEXP s_arg2) { OpenBabel::OBGenericData *result = 0 ;
33520   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
33521   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33522   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33523     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_GetData" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33524    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); { std::string *ptr = (std::string *)0;
33525     res2 = SWIG_AsPtr_std_string(s_arg2, &ptr); if (!SWIG_IsOK(res2)) {
33526       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolBondIter_GetData" "', argument " "2"" of type '" "std::string const &""'"); }
33527      if (!ptr) {
33528       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolBondIter_GetData" "', argument " "2"" of type '" "std::string const &""'"); }
33529      arg2 = ptr; }  result = (OpenBabel::OBGenericData *)(*arg1)->GetData((std::string const &)*arg2);
33530   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGenericData, R_SWIG_EXTERNAL |  0 );
33531   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_GetData__SWIG_2(SEXP self,SEXP s_swig_copy)33532 SWIGEXPORT SEXP R_swig_OBMolBondIter_GetData__SWIG_2 ( SEXP self, SEXP s_swig_copy) {
33533   std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > *result = 0 ;
33534   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33535   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33536   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33537     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_GetData" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33538    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1);
33539   result = (std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > *) &(*arg1)->GetData();
33540   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t, R_SWIG_EXTERNAL |  0 );
33541   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_GetData__SWIG_3(SEXP self,SEXP source,SEXP s_swig_copy)33542 SWIGEXPORT SEXP R_swig_OBMolBondIter_GetData__SWIG_3 ( SEXP self, SEXP source, SEXP s_swig_copy) {
33543   std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > result;
33544   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; OpenBabel::DataOrigin arg2 ; void *argp1 = 0 ;
33545   int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
33546   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 );
33547   if (!SWIG_IsOK(res1)) {
33548     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_GetData" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33549    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); ecode2 = SWIG_AsVal_int(source, &val2);
33550   if (!SWIG_IsOK(ecode2)) {
33551     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolBondIter_GetData" "', argument " "2"" of type '" "OpenBabel::DataOrigin""'"); }
33552     arg2 = static_cast< OpenBabel::DataOrigin >(val2); result = (*arg1)->GetData(arg2);
33553   r_ans = swig::from(static_cast< std::vector<OpenBabel::OBGenericData*,std::allocator< OpenBabel::OBGenericData * > > >(result));
33554   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_GetAllData(SEXP self,SEXP type,SEXP s_swig_copy)33555 SWIGEXPORT SEXP R_swig_OBMolBondIter_GetAllData ( SEXP self, SEXP type, SEXP s_swig_copy) {
33556   std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > result;
33557   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
33558   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33559   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33560     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_GetAllData" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33561    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); ecode2 = SWIG_AsVal_int(type, &val2); if (!SWIG_IsOK(ecode2)) {
33562     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBMolBondIter_GetAllData" "', argument " "2"" of type '" "unsigned int""'"); }
33563     arg2 = static_cast< unsigned int >(val2); result = (*arg1)->GetAllData(arg2);
33564   r_ans = swig::from(static_cast< std::vector<OpenBabel::OBGenericData*,std::allocator< OpenBabel::OBGenericData * > > >(result));
33565   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_BeginData(SEXP self,SEXP s_swig_copy)33566 SWIGEXPORT SEXP R_swig_OBMolBondIter_BeginData ( SEXP self, SEXP s_swig_copy) {
33567   SwigValueWrapper< std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > >::iterator > result;
33568   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33569   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33570   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33571     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_BeginData" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33572    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (*arg1)->BeginData();
33573   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBDataIterator(static_cast< const OpenBabel::OBDataIterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
33574   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolBondIter_EndData(SEXP self,SEXP s_swig_copy)33575 SWIGEXPORT SEXP R_swig_OBMolBondIter_EndData ( SEXP self, SEXP s_swig_copy) {
33576   SwigValueWrapper< std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > >::iterator > result;
33577   OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33578   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33579   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33580     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolBondIter_EndData" "', argument " "1"" of type '" "OpenBabel::OBMolBondIter *""'");  }
33581    arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (*arg1)->EndData();
33582   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBDataIterator(static_cast< const OpenBabel::OBDataIterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
33583   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBAtomAtomIter__SWIG_0()33584 SWIGEXPORT SEXP R_swig_new_OBAtomAtomIter__SWIG_0 ( ) { OpenBabel::OBAtomAtomIter *result = 0 ; unsigned int r_nprotect = 0;
33585   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBAtomAtomIter *)new OpenBabel::OBAtomAtomIter();
33586   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtomAtomIter, R_SWIG_OWNER |  0 );
33587   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBAtomAtomIter__SWIG_1(SEXP atm)33588 SWIGEXPORT SEXP R_swig_new_OBAtomAtomIter__SWIG_1 ( SEXP atm) { OpenBabel::OBAtomAtomIter *result = 0 ;
33589   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
33590   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33591   res1 = SWIG_R_ConvertPtr(atm, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33592     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBAtomAtomIter" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
33593    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1);
33594   result = (OpenBabel::OBAtomAtomIter *)new OpenBabel::OBAtomAtomIter(arg1);
33595   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtomAtomIter, R_SWIG_OWNER |  0 );
33596   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBAtomAtomIter__SWIG_2(SEXP ai)33597 SWIGEXPORT SEXP R_swig_new_OBAtomAtomIter__SWIG_2 ( SEXP ai) { OpenBabel::OBAtomAtomIter *result = 0 ;
33598   OpenBabel::OBAtomAtomIter *arg1 = 0 ; void *argp1 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
33599   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(ai, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter,  0 );
33600   if (!SWIG_IsOK(res1)) {
33601     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBAtomAtomIter" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const &""'");  }
33602    if (!argp1) {
33603     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBAtomAtomIter" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const &""'"); }
33604    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1);
33605   result = (OpenBabel::OBAtomAtomIter *)new OpenBabel::OBAtomAtomIter((OpenBabel::OBAtomAtomIter const &)*arg1);
33606   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtomAtomIter, R_SWIG_OWNER |  0 );
33607   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBAtomAtomIter(SEXP self)33608 SWIGEXPORT SEXP R_swig_delete_OBAtomAtomIter ( SEXP self) { OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ;
33609   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33610   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, SWIG_POINTER_DISOWN |  0 );
33611   if (!SWIG_IsOK(res1)) {
33612     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBAtomAtomIter" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
33613    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
33614   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBAtomAtomIter_HasMore(SEXP self,SEXP s_swig_copy)33615 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_HasMore ( SEXP self, SEXP s_swig_copy) { bool result;
33616   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33617   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33618   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33619     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_HasMore" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const *""'");  }
33620    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1);
33621   result = (bool)((OpenBabel::OBAtomAtomIter const *)arg1)->operator bool(); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
33622   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_inc__SWIG_0(SEXP self,SEXP s_swig_copy)33623 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_inc__SWIG_0 ( SEXP self, SEXP s_swig_copy) { OpenBabel::OBAtomAtomIter *result = 0 ;
33624   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33625   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33626   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33627     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_inc" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
33628    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (OpenBabel::OBAtomAtomIter *) &(arg1)->operator ++();
33629   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtomAtomIter, R_SWIG_EXTERNAL |  0 );
33630   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_inc__SWIG_1(SEXP self,SEXP s_arg2,SEXP s_swig_copy)33631 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_inc__SWIG_1 ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) {
33632   OpenBabel::OBAtomAtomIter result; OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; int arg2 ;
33633   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33634   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33635     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_inc" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
33636    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
33637   result = (arg1)->operator ++(arg2);
33638   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBAtomAtomIter(static_cast< const OpenBabel::OBAtomAtomIter& >(result))), SWIGTYPE_p_OpenBabel__OBAtomAtomIter, SWIG_POINTER_OWN |  0 );
33639   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter___deref__(SEXP self)33640 SWIGEXPORT SEXP R_swig_OBAtomAtomIter___deref__ ( SEXP self) { OpenBabel::OBAtom *result = 0 ;
33641   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33642   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33643   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33644     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter___deref__" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const *""'");  }
33645    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1);
33646   result = (OpenBabel::OBAtom *)((OpenBabel::OBAtomAtomIter const *)arg1)->operator ->();
33647   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
33648   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter___ref__(SEXP self,SEXP s_swig_copy)33649 SWIGEXPORT SEXP R_swig_OBAtomAtomIter___ref__ ( SEXP self, SEXP s_swig_copy) { OpenBabel::OBAtom *result = 0 ;
33650   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33651   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33652   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33653     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter___ref__" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const *""'");  }
33654    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1);
33655   result = (OpenBabel::OBAtom *) &((OpenBabel::OBAtomAtomIter const *)arg1)->operator *();
33656   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
33657   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_Visit_set(SEXP self,SEXP s_Visit)33658 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_Visit_set ( SEXP self, SEXP s_Visit) {
33659   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
33660   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33661   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33662     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
33663    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); arg2 = LOGICAL(s_Visit)[0] ? true : false;
33664   if (arg1) (*arg1)->Visit = arg2; r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_Visit_get(SEXP self,SEXP s_swig_copy)33665 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_Visit_get ( SEXP self, SEXP s_swig_copy) { bool result;
33666   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33667   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33668   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33669     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
33670    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (bool) ((*arg1)->Visit);
33671   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_Duplicate(SEXP self,SEXP s_arg2)33672 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_Duplicate ( SEXP self, SEXP s_arg2) {
33673   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
33674   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
33675   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 );
33676   if (!SWIG_IsOK(res1)) {
33677     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_Duplicate" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
33678    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1);
33679   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
33680     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_Duplicate" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
33681    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); (*arg1)->Duplicate(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
33682   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_SetIdx(SEXP self,SEXP idx)33683 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_SetIdx ( SEXP self, SEXP idx) {
33684   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
33685   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33686   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33687     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_SetIdx" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
33688    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); arg2 = static_cast< int >(INTEGER(idx)[0]);
33689   (*arg1)->SetIdx(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_SetId(SEXP self,SEXP id)33690 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_SetId ( SEXP self, SEXP id) {
33691   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; unsigned long arg2 ; void *argp1 = 0 ; int res1 = 0 ;
33692   long val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33693   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33694     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_SetId" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
33695    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); ecode2 = SWIG_AsVal_long(id, &val2); if (!SWIG_IsOK(ecode2)) {
33696     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBAtomAtomIter_SetId" "', argument " "2"" of type '" "unsigned long""'"); }
33697     arg2 = static_cast< unsigned long >(val2); (*arg1)->SetId(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
33698   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_SetHyb(SEXP self,SEXP hyb)33699 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_SetHyb ( SEXP self, SEXP hyb) {
33700   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
33701   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33702   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33703     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_SetHyb" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
33704    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); arg2 = static_cast< int >(INTEGER(hyb)[0]);
33705   (*arg1)->SetHyb(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_SetAtomicNum(SEXP self,SEXP atomicnum)33706 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_SetAtomicNum ( SEXP self, SEXP atomicnum) {
33707   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
33708   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33709   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33710     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_SetAtomicNum" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
33711    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); arg2 = static_cast< int >(INTEGER(atomicnum)[0]);
33712   (*arg1)->SetAtomicNum(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_SetIsotope(SEXP self,SEXP iso)33713 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_SetIsotope ( SEXP self, SEXP iso) {
33714   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
33715   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33716   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33717     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_SetIsotope" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
33718    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); ecode2 = SWIG_AsVal_int(iso, &val2); if (!SWIG_IsOK(ecode2)) {
33719     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBAtomAtomIter_SetIsotope" "', argument " "2"" of type '" "unsigned int""'"); }
33720     arg2 = static_cast< unsigned int >(val2); (*arg1)->SetIsotope(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
33721   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_SetImplicitValence(SEXP self,SEXP val)33722 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_SetImplicitValence ( SEXP self, SEXP val) {
33723   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
33724   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33725   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33726     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_SetImplicitValence" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
33727    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); arg2 = static_cast< int >(INTEGER(val)[0]);
33728   (*arg1)->SetImplicitValence(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
33729   return r_ans; }
R_swig_OBAtomAtomIter_IncrementImplicitValence(SEXP self)33730 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_IncrementImplicitValence ( SEXP self) {
33731   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33732   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33733   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33734     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_IncrementImplicitValence" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
33735    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); (*arg1)->IncrementImplicitValence(); r_ans = R_NilValue;
33736   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_DecrementImplicitValence(SEXP self)33737 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_DecrementImplicitValence ( SEXP self) {
33738   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33739   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33740   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33741     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_DecrementImplicitValence" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
33742    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); (*arg1)->DecrementImplicitValence(); r_ans = R_NilValue;
33743   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_SetFormalCharge(SEXP self,SEXP fcharge)33744 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_SetFormalCharge ( SEXP self, SEXP fcharge) {
33745   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
33746   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33747   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33748     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_SetFormalCharge" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
33749    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); arg2 = static_cast< int >(INTEGER(fcharge)[0]);
33750   (*arg1)->SetFormalCharge(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_SetSpinMultiplicity(SEXP self,SEXP spin)33751 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_SetSpinMultiplicity ( SEXP self, SEXP spin) {
33752   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; short arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ;
33753   int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33754   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33755     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_SetSpinMultiplicity" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
33756    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); ecode2 = SWIG_AsVal_int(spin, &val2);
33757   if (!SWIG_IsOK(ecode2)) {
33758     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBAtomAtomIter_SetSpinMultiplicity" "', argument " "2"" of type '" "short""'"); }
33759     arg2 = static_cast< short >(val2); (*arg1)->SetSpinMultiplicity(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
33760   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_SetType(SEXP self,SEXP type)33761 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_SetType ( SEXP self, SEXP type) {
33762   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
33763   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33764   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33765     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_SetType" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
33766    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); { std::string *ptr = (std::string *)0;
33767     res2 = SWIG_AsPtr_std_string(type, &ptr); if (!SWIG_IsOK(res2)) {
33768       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_SetType" "', argument " "2"" of type '" "std::string const &""'"); }
33769      if (!ptr) {
33770       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtomAtomIter_SetType" "', argument " "2"" of type '" "std::string const &""'"); }
33771      arg2 = ptr; }  (*arg1)->SetType((std::string const &)*arg2); r_ans = R_NilValue; if (SWIG_IsNewObj(res2)) delete arg2;
33772   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_SetPartialCharge(SEXP self,SEXP pcharge)33773 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_SetPartialCharge ( SEXP self, SEXP pcharge) {
33774   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; double arg2 ; void *argp1 = 0 ; int res1 = 0 ;
33775   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33776   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33777     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_SetPartialCharge" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
33778    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); arg2 = static_cast< double >(REAL(pcharge)[0]);
33779   (*arg1)->SetPartialCharge(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_SetVector__SWIG_0(SEXP self,SEXP v)33780 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_SetVector__SWIG_0 ( SEXP self, SEXP v) {
33781   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; OpenBabel::vector3 *arg2 = 0 ; void *argp1 = 0 ;
33782   int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
33783   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 );
33784   if (!SWIG_IsOK(res1)) {
33785     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_SetVector" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
33786    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1);
33787   res2 = SWIG_R_ConvertPtr(v, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
33788     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_SetVector" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'");  }
33789    if (!argp2) {
33790     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtomAtomIter_SetVector" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'"); }
33791    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2); (*arg1)->SetVector((OpenBabel::vector3 const &)*arg2);
33792   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_SetVector__SWIG_1(SEXP self,SEXP x,SEXP y,SEXP z)33793 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_SetVector__SWIG_1 ( SEXP self, SEXP x, SEXP y, SEXP z) {
33794   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; double arg2 ; double arg3 ; double arg4 ;
33795   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33796   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33797     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_SetVector" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
33798    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); arg2 = static_cast< double >(REAL(x)[0]);
33799   arg3 = static_cast< double >(REAL(y)[0]); arg4 = static_cast< double >(REAL(z)[0]); (*arg1)->SetVector(arg2,arg3,arg4);
33800   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_SetVector__SWIG_2(SEXP self)33801 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_SetVector__SWIG_2 ( SEXP self) {
33802   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33803   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33804   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33805     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_SetVector" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
33806    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); (*arg1)->SetVector(); r_ans = R_NilValue; vmaxset(r_vmax);
33807   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_SetCoordPtr(SEXP self,SEXP c)33808 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_SetCoordPtr ( SEXP self, SEXP c) {
33809   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; double **arg2 = (double **) 0 ; void *argp1 = 0 ;
33810   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
33811   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 );
33812   if (!SWIG_IsOK(res1)) {
33813     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_SetCoordPtr" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
33814    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1);
33815   res2 = SWIG_R_ConvertPtr(c, &argp2, SWIGTYPE_p_p_double, 0 |  0 ); if (!SWIG_IsOK(res2)) {
33816     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_SetCoordPtr" "', argument " "2"" of type '" "double **""'");  }
33817    arg2 = reinterpret_cast< double ** >(argp2); (*arg1)->SetCoordPtr(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
33818   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_SetResidue(SEXP self,SEXP res)33819 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_SetResidue ( SEXP self, SEXP res) {
33820   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; OpenBabel::OBResidue *arg2 = (OpenBabel::OBResidue *) 0 ;
33821   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
33822   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 );
33823   if (!SWIG_IsOK(res1)) {
33824     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_SetResidue" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
33825    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1);
33826   res2 = SWIG_R_ConvertPtr(res, &argp2, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 ); if (!SWIG_IsOK(res2)) {
33827     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_SetResidue" "', argument " "2"" of type '" "OpenBabel::OBResidue *""'");  }
33828    arg2 = reinterpret_cast< OpenBabel::OBResidue * >(argp2); (*arg1)->SetResidue(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
33829   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_SetParent(SEXP self,SEXP ptr)33830 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_SetParent ( SEXP self, SEXP ptr) {
33831   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ;
33832   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
33833   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 );
33834   if (!SWIG_IsOK(res1)) {
33835     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_SetParent" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
33836    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1);
33837   res2 = SWIG_R_ConvertPtr(ptr, &argp2, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res2)) {
33838     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_SetParent" "', argument " "2"" of type '" "OpenBabel::OBMol *""'");  }
33839    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); (*arg1)->SetParent(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
33840   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_SetAromatic(SEXP self)33841 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_SetAromatic ( SEXP self) {
33842   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33843   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33844   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33845     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_SetAromatic" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
33846    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); (*arg1)->SetAromatic(); r_ans = R_NilValue; vmaxset(r_vmax);
33847   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_UnsetAromatic(SEXP self)33848 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_UnsetAromatic ( SEXP self) {
33849   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33850   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33851   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33852     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_UnsetAromatic" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
33853    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); (*arg1)->UnsetAromatic(); r_ans = R_NilValue; vmaxset(r_vmax);
33854   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_SetClockwiseStereo(SEXP self)33855 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_SetClockwiseStereo ( SEXP self) {
33856   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33857   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33858   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33859     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_SetClockwiseStereo" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
33860    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); (*arg1)->SetClockwiseStereo(); r_ans = R_NilValue;
33861   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_SetAntiClockwiseStereo(SEXP self)33862 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_SetAntiClockwiseStereo ( SEXP self) {
33863   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33864   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33865   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33866     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_SetAntiClockwiseStereo" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
33867    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); (*arg1)->SetAntiClockwiseStereo(); r_ans = R_NilValue;
33868   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_SetPositiveStereo(SEXP self)33869 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_SetPositiveStereo ( SEXP self) {
33870   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33871   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33872   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33873     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_SetPositiveStereo" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
33874    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); (*arg1)->SetPositiveStereo(); r_ans = R_NilValue;
33875   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_SetNegativeStereo(SEXP self)33876 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_SetNegativeStereo ( SEXP self) {
33877   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33878   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33879   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33880     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_SetNegativeStereo" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
33881    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); (*arg1)->SetNegativeStereo(); r_ans = R_NilValue;
33882   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_UnsetStereo(SEXP self)33883 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_UnsetStereo ( SEXP self) {
33884   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33885   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33886   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33887     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_UnsetStereo" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
33888    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); (*arg1)->UnsetStereo(); r_ans = R_NilValue; vmaxset(r_vmax);
33889   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_SetInRing(SEXP self)33890 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_SetInRing ( SEXP self) {
33891   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33892   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33893   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33894     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_SetInRing" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
33895    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); (*arg1)->SetInRing(); r_ans = R_NilValue; vmaxset(r_vmax);
33896   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_SetChiral(SEXP self)33897 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_SetChiral ( SEXP self) {
33898   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33899   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33900   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33901     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_SetChiral" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
33902    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); (*arg1)->SetChiral(); r_ans = R_NilValue; vmaxset(r_vmax);
33903   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_ClearCoordPtr(SEXP self)33904 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_ClearCoordPtr ( SEXP self) {
33905   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33906   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33907   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33908     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_ClearCoordPtr" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
33909    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); (*arg1)->ClearCoordPtr(); r_ans = R_NilValue; vmaxset(r_vmax);
33910   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_GetFormalCharge(SEXP self,SEXP s_swig_copy)33911 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_GetFormalCharge ( SEXP self, SEXP s_swig_copy) { int result;
33912   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33913   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33914   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33915     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetFormalCharge" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const *""'");  }
33916    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (int)(*arg1)->GetFormalCharge();
33917   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_GetAtomicNum(SEXP self,SEXP s_swig_copy)33918 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_GetAtomicNum ( SEXP self, SEXP s_swig_copy) { unsigned int result;
33919   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33920   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33921   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33922     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetAtomicNum" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const *""'");  }
33923    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (unsigned int)(*arg1)->GetAtomicNum();
33924   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_GetIsotope(SEXP self,SEXP s_swig_copy)33925 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_GetIsotope ( SEXP self, SEXP s_swig_copy) { unsigned short result;
33926   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33927   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33928   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33929     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetIsotope" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const *""'");  }
33930    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (unsigned short)(*arg1)->GetIsotope();
33931   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_GetSpinMultiplicity(SEXP self,SEXP s_swig_copy)33932 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_GetSpinMultiplicity ( SEXP self, SEXP s_swig_copy) { int result;
33933   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33934   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33935   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33936     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetSpinMultiplicity" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const *""'");  }
33937    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (int)(*arg1)->GetSpinMultiplicity();
33938   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_GetAtomicMass(SEXP self,SEXP s_swig_copy)33939 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_GetAtomicMass ( SEXP self, SEXP s_swig_copy) { double result;
33940   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33941   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33942   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33943     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetAtomicMass" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const *""'");  }
33944    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (double)(*arg1)->GetAtomicMass();
33945   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
33946   return r_ans; }
R_swig_OBAtomAtomIter_GetExactMass(SEXP self,SEXP s_swig_copy)33947 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_GetExactMass ( SEXP self, SEXP s_swig_copy) { double result;
33948   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33949   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33950   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33951     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetExactMass" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const *""'");  }
33952    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (double)(*arg1)->GetExactMass();
33953   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
33954   return r_ans; }
R_swig_OBAtomAtomIter_GetIdx(SEXP self,SEXP s_swig_copy)33955 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_GetIdx ( SEXP self, SEXP s_swig_copy) { unsigned int result;
33956   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33957   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33958   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33959     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetIdx" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const *""'");  }
33960    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (unsigned int)(*arg1)->GetIdx();
33961   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_GetIndex(SEXP self,SEXP s_swig_copy)33962 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_GetIndex ( SEXP self, SEXP s_swig_copy) { unsigned int result;
33963   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33964   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33965   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33966     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetIndex" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const *""'");  }
33967    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (unsigned int)(*arg1)->GetIndex();
33968   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_GetId(SEXP self,SEXP s_swig_copy)33969 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_GetId ( SEXP self, SEXP s_swig_copy) { unsigned long result;
33970   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33971   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33972   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33973     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetId" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const *""'");  }
33974    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (unsigned long)(*arg1)->GetId();
33975   r_ans = SWIG_From_long(static_cast< long >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_GetCoordinateIdx(SEXP self,SEXP s_swig_copy)33976 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_GetCoordinateIdx ( SEXP self, SEXP s_swig_copy) { unsigned int result;
33977   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33978   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33979   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33980     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetCoordinateIdx" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const *""'");  }
33981    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (unsigned int)(*arg1)->GetCoordinateIdx();
33982   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_GetCIdx(SEXP self,SEXP s_swig_copy)33983 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_GetCIdx ( SEXP self, SEXP s_swig_copy) { unsigned int result;
33984   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33985   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33986   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33987     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetCIdx" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const *""'");  }
33988    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (unsigned int)(*arg1)->GetCIdx();
33989   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_GetValence(SEXP self,SEXP s_swig_copy)33990 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_GetValence ( SEXP self, SEXP s_swig_copy) { unsigned int result;
33991   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33992   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
33993   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
33994     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetValence" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const *""'");  }
33995    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (unsigned int)(*arg1)->GetValence();
33996   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_GetHyb(SEXP self,SEXP s_swig_copy)33997 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_GetHyb ( SEXP self, SEXP s_swig_copy) { unsigned int result;
33998   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
33999   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34000   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34001     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetHyb" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const *""'");  }
34002    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (unsigned int)(*arg1)->GetHyb();
34003   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_GetImplicitValence(SEXP self,SEXP s_swig_copy)34004 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_GetImplicitValence ( SEXP self, SEXP s_swig_copy) { unsigned int result;
34005   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34006   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34007   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34008     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetImplicitValence" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const *""'");  }
34009    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (unsigned int)(*arg1)->GetImplicitValence();
34010   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_GetHvyValence(SEXP self,SEXP s_swig_copy)34011 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_GetHvyValence ( SEXP self, SEXP s_swig_copy) { unsigned int result;
34012   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34013   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34014   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34015     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetHvyValence" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const *""'");  }
34016    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (unsigned int)(*arg1)->GetHvyValence();
34017   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_GetHeteroValence(SEXP self,SEXP s_swig_copy)34018 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_GetHeteroValence ( SEXP self, SEXP s_swig_copy) { unsigned int result;
34019   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34020   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34021   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34022     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetHeteroValence" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const *""'");  }
34023    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (unsigned int)(*arg1)->GetHeteroValence();
34024   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_GetType(SEXP self)34025 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_GetType ( SEXP self) { char *result = 0 ;
34026   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34027   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34028   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34029     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetType" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34030    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (char *)(*arg1)->GetType();
34031   r_ans = result ? Rf_mkString(reinterpret_cast< char * >(result)) : R_NilValue; vmaxset(r_vmax);
34032   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_GetX(SEXP self,SEXP s_swig_copy)34033 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_GetX ( SEXP self, SEXP s_swig_copy) { double result;
34034   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34035   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34036   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34037     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetX" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const *""'");  }
34038    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (double)(*arg1)->GetX();
34039   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
34040   return r_ans; }
R_swig_OBAtomAtomIter_GetY(SEXP self,SEXP s_swig_copy)34041 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_GetY ( SEXP self, SEXP s_swig_copy) { double result;
34042   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34043   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34044   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34045     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetY" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const *""'");  }
34046    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (double)(*arg1)->GetY();
34047   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
34048   return r_ans; }
R_swig_OBAtomAtomIter_GetZ(SEXP self,SEXP s_swig_copy)34049 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_GetZ ( SEXP self, SEXP s_swig_copy) { double result;
34050   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34051   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34052   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34053     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetZ" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const *""'");  }
34054    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (double)(*arg1)->GetZ();
34055   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
34056   return r_ans; }
R_swig_OBAtomAtomIter_x(SEXP self,SEXP s_swig_copy)34057 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_x ( SEXP self, SEXP s_swig_copy) { double result;
34058   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34059   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34060   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34061     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_x" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const *""'");  }
34062    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (double)(*arg1)->x();
34063   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
34064   return r_ans; }
R_swig_OBAtomAtomIter_y(SEXP self,SEXP s_swig_copy)34065 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_y ( SEXP self, SEXP s_swig_copy) { double result;
34066   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34067   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34068   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34069     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_y" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const *""'");  }
34070    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (double)(*arg1)->y();
34071   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
34072   return r_ans; }
R_swig_OBAtomAtomIter_z(SEXP self,SEXP s_swig_copy)34073 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_z ( SEXP self, SEXP s_swig_copy) { double result;
34074   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34075   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34076   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34077     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_z" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const *""'");  }
34078    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (double)(*arg1)->z();
34079   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
34080   return r_ans; }
R_swig_OBAtomAtomIter_GetCoordinate(SEXP self)34081 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_GetCoordinate ( SEXP self) { double *result = 0 ;
34082   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34083   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34084   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34085     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetCoordinate" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34086    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (double *)(*arg1)->GetCoordinate();
34087   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_double, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
34088   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_GetVector(SEXP self,SEXP s_swig_copy)34089 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_GetVector ( SEXP self, SEXP s_swig_copy) { OpenBabel::vector3 *result = 0 ;
34090   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34091   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34092   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34093     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetVector" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34094    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (OpenBabel::vector3 *) &(*arg1)->GetVector();
34095   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__vector3, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
34096   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_GetPartialCharge(SEXP self,SEXP s_swig_copy)34097 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_GetPartialCharge ( SEXP self, SEXP s_swig_copy) { double result;
34098   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34099   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34100   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34101     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetPartialCharge" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34102    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (double)(*arg1)->GetPartialCharge();
34103   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
34104   return r_ans; }
R_swig_OBAtomAtomIter_GetResidue__SWIG_0(SEXP self)34105 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_GetResidue__SWIG_0 ( SEXP self) { OpenBabel::OBResidue *result = 0 ;
34106   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34107   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34108   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34109     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetResidue" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34110    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (OpenBabel::OBResidue *)(*arg1)->GetResidue();
34111   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBResidue, R_SWIG_EXTERNAL |  0 );
34112   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_GetResidue__SWIG_1(SEXP self,SEXP perception)34113 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_GetResidue__SWIG_1 ( SEXP self, SEXP perception) { OpenBabel::OBResidue *result = 0 ;
34114   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
34115   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34116   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34117     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetResidue" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34118    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); arg2 = LOGICAL(perception)[0] ? true : false;
34119   result = (OpenBabel::OBResidue *)(*arg1)->GetResidue(arg2);
34120   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBResidue, R_SWIG_EXTERNAL |  0 );
34121   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_GetParent(SEXP self)34122 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_GetParent ( SEXP self) { OpenBabel::OBMol *result = 0 ;
34123   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34124   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34125   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34126     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetParent" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34127    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (OpenBabel::OBMol *)(*arg1)->GetParent();
34128   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMol, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
34129   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_GetNewBondVector(SEXP self,SEXP v,SEXP length,SEXP s_swig_copy)34130 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_GetNewBondVector ( SEXP self, SEXP v, SEXP length, SEXP s_swig_copy) { bool result;
34131   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; OpenBabel::vector3 *arg2 = 0 ; double arg3 ;
34132   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
34133   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 );
34134   if (!SWIG_IsOK(res1)) {
34135     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetNewBondVector" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34136    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1);
34137   res2 = SWIG_R_ConvertPtr(v, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
34138     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_GetNewBondVector" "', argument " "2"" of type '" "OpenBabel::vector3 &""'");  }
34139    if (!argp2) {
34140     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtomAtomIter_GetNewBondVector" "', argument " "2"" of type '" "OpenBabel::vector3 &""'"); }
34141    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2); arg3 = static_cast< double >(REAL(length)[0]);
34142   result = (bool)(*arg1)->GetNewBondVector(*arg2,arg3); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
34143   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_GetBond(SEXP self,SEXP s_arg2)34144 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_GetBond ( SEXP self, SEXP s_arg2) { OpenBabel::OBBond *result = 0 ;
34145   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
34146   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
34147   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 );
34148   if (!SWIG_IsOK(res1)) {
34149     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetBond" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34150    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1);
34151   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
34152     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_GetBond" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
34153    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (OpenBabel::OBBond *)(*arg1)->GetBond(arg2);
34154   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
34155   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_GetNextAtom(SEXP self)34156 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_GetNextAtom ( SEXP self) { OpenBabel::OBAtom *result = 0 ;
34157   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34158   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34159   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34160     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetNextAtom" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34161    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (OpenBabel::OBAtom *)(*arg1)->GetNextAtom();
34162   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
34163   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_BeginBonds(SEXP self,SEXP s_swig_copy)34164 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_BeginBonds ( SEXP self, SEXP s_swig_copy) {
34165   SwigValueWrapper< std::vector< OpenBabel::OBBond *,std::allocator< OpenBabel::OBBond * > >::iterator > result;
34166   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34167   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34168   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34169     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_BeginBonds" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34170    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (*arg1)->BeginBonds();
34171   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBBondIterator(static_cast< const OpenBabel::OBBondIterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
34172   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_EndBonds(SEXP self,SEXP s_swig_copy)34173 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_EndBonds ( SEXP self, SEXP s_swig_copy) {
34174   SwigValueWrapper< std::vector< OpenBabel::OBBond *,std::allocator< OpenBabel::OBBond * > >::iterator > result;
34175   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34176   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34177   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34178     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_EndBonds" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34179    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (*arg1)->EndBonds();
34180   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBBondIterator(static_cast< const OpenBabel::OBBondIterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
34181   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_BeginBond(SEXP self,SEXP i)34182 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_BeginBond ( SEXP self, SEXP i) { OpenBabel::OBBond *result = 0 ;
34183   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; OpenBabel::OBBondIterator *arg2 = 0 ; void *argp1 = 0 ;
34184   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
34185   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 );
34186   if (!SWIG_IsOK(res1)) {
34187     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_BeginBond" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34188    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1);
34189   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator,  0 );
34190   if (!SWIG_IsOK(res2)) {
34191     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_BeginBond" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'");  }
34192    if (!argp2) {
34193     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtomAtomIter_BeginBond" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'"); }
34194    arg2 = reinterpret_cast< OpenBabel::OBBondIterator * >(argp2); result = (OpenBabel::OBBond *)(*arg1)->BeginBond(*arg2);
34195   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
34196   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_NextBond(SEXP self,SEXP i)34197 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_NextBond ( SEXP self, SEXP i) { OpenBabel::OBBond *result = 0 ;
34198   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; OpenBabel::OBBondIterator *arg2 = 0 ; void *argp1 = 0 ;
34199   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
34200   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 );
34201   if (!SWIG_IsOK(res1)) {
34202     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_NextBond" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34203    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1);
34204   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator,  0 );
34205   if (!SWIG_IsOK(res2)) {
34206     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_NextBond" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'");  }
34207    if (!argp2) {
34208     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtomAtomIter_NextBond" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'"); }
34209    arg2 = reinterpret_cast< OpenBabel::OBBondIterator * >(argp2); result = (OpenBabel::OBBond *)(*arg1)->NextBond(*arg2);
34210   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
34211   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_BeginNbrAtom(SEXP self,SEXP i)34212 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_BeginNbrAtom ( SEXP self, SEXP i) { OpenBabel::OBAtom *result = 0 ;
34213   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; OpenBabel::OBBondIterator *arg2 = 0 ; void *argp1 = 0 ;
34214   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
34215   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 );
34216   if (!SWIG_IsOK(res1)) {
34217     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_BeginNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34218    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1);
34219   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator,  0 );
34220   if (!SWIG_IsOK(res2)) {
34221     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_BeginNbrAtom" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'");  }
34222    if (!argp2) {
34223     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtomAtomIter_BeginNbrAtom" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'"); }
34224    arg2 = reinterpret_cast< OpenBabel::OBBondIterator * >(argp2); result = (OpenBabel::OBAtom *)(*arg1)->BeginNbrAtom(*arg2);
34225   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
34226   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_NextNbrAtom(SEXP self,SEXP i)34227 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_NextNbrAtom ( SEXP self, SEXP i) { OpenBabel::OBAtom *result = 0 ;
34228   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; OpenBabel::OBBondIterator *arg2 = 0 ; void *argp1 = 0 ;
34229   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
34230   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 );
34231   if (!SWIG_IsOK(res1)) {
34232     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_NextNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34233    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1);
34234   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator,  0 );
34235   if (!SWIG_IsOK(res2)) {
34236     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_NextNbrAtom" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'");  }
34237    if (!argp2) {
34238     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtomAtomIter_NextNbrAtom" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'"); }
34239    arg2 = reinterpret_cast< OpenBabel::OBBondIterator * >(argp2); result = (OpenBabel::OBAtom *)(*arg1)->NextNbrAtom(*arg2);
34240   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
34241   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_GetDistance__SWIG_0(SEXP self,SEXP index,SEXP s_swig_copy)34242 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_GetDistance__SWIG_0 ( SEXP self, SEXP index, SEXP s_swig_copy) { double result;
34243   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
34244   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34245   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34246     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetDistance" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34247    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); arg2 = static_cast< int >(INTEGER(index)[0]);
34248   result = (double)(*arg1)->GetDistance(arg2); r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax);
34249   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_GetDistance__SWIG_1(SEXP self,SEXP s_arg2,SEXP s_swig_copy)34250 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_GetDistance__SWIG_1 ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { double result;
34251   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
34252   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
34253   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 );
34254   if (!SWIG_IsOK(res1)) {
34255     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetDistance" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34256    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1);
34257   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
34258     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_GetDistance" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
34259    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (double)(*arg1)->GetDistance(arg2);
34260   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
34261   return r_ans; }
R_swig_OBAtomAtomIter_GetDistance__SWIG_2(SEXP self,SEXP v,SEXP s_swig_copy)34262 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_GetDistance__SWIG_2 ( SEXP self, SEXP v, SEXP s_swig_copy) { double result;
34263   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; OpenBabel::vector3 *arg2 = (OpenBabel::vector3 *) 0 ;
34264   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
34265   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 );
34266   if (!SWIG_IsOK(res1)) {
34267     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetDistance" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34268    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1);
34269   res2 = SWIG_R_ConvertPtr(v, &argp2, SWIGTYPE_p_OpenBabel__vector3, 0 |  0 ); if (!SWIG_IsOK(res2)) {
34270     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_GetDistance" "', argument " "2"" of type '" "OpenBabel::vector3 *""'");  }
34271    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2); result = (double)(*arg1)->GetDistance(arg2);
34272   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
34273   return r_ans; }
R_swig_OBAtomAtomIter_GetAngle__SWIG_0(SEXP self,SEXP b,SEXP c,SEXP s_swig_copy)34274 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_GetAngle__SWIG_0 ( SEXP self, SEXP b, SEXP c, SEXP s_swig_copy) { double result;
34275   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; int arg2 ; int arg3 ; void *argp1 = 0 ; int res1 = 0 ;
34276   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34277   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34278     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetAngle" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34279    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); arg2 = static_cast< int >(INTEGER(b)[0]);
34280   arg3 = static_cast< int >(INTEGER(c)[0]); result = (double)(*arg1)->GetAngle(arg2,arg3);
34281   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
34282   return r_ans; }
R_swig_OBAtomAtomIter_GetAngle__SWIG_1(SEXP self,SEXP b,SEXP c,SEXP s_swig_copy)34283 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_GetAngle__SWIG_1 ( SEXP self, SEXP b, SEXP c, SEXP s_swig_copy) { double result;
34284   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
34285   OpenBabel::OBAtom *arg3 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
34286   void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34287   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34288     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetAngle" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34289    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1);
34290   res2 = SWIG_R_ConvertPtr(b, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
34291     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_GetAngle" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
34292    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2);
34293   res3 = SWIG_R_ConvertPtr(c, &argp3, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res3)) {
34294     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBAtomAtomIter_GetAngle" "', argument " "3"" of type '" "OpenBabel::OBAtom *""'");  }
34295    arg3 = reinterpret_cast< OpenBabel::OBAtom * >(argp3); result = (double)(*arg1)->GetAngle(arg2,arg3);
34296   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
34297   return r_ans; }
R_swig_OBAtomAtomIter_NewResidue(SEXP self)34298 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_NewResidue ( SEXP self) {
34299   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34300   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34301   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34302     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_NewResidue" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34303    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); (*arg1)->NewResidue(); r_ans = R_NilValue; vmaxset(r_vmax);
34304   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_AddResidue(SEXP self,SEXP res)34305 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_AddResidue ( SEXP self, SEXP res) {
34306   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; OpenBabel::OBResidue *arg2 = (OpenBabel::OBResidue *) 0 ;
34307   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
34308   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 );
34309   if (!SWIG_IsOK(res1)) {
34310     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_AddResidue" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34311    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1);
34312   res2 = SWIG_R_ConvertPtr(res, &argp2, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 ); if (!SWIG_IsOK(res2)) {
34313     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_AddResidue" "', argument " "2"" of type '" "OpenBabel::OBResidue *""'");  }
34314    arg2 = reinterpret_cast< OpenBabel::OBResidue * >(argp2); (*arg1)->AddResidue(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
34315   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_DeleteResidue(SEXP self)34316 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_DeleteResidue ( SEXP self) {
34317   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34318   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34319   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34320     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_DeleteResidue" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34321    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); (*arg1)->DeleteResidue(); r_ans = R_NilValue; vmaxset(r_vmax);
34322   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_AddBond(SEXP self,SEXP bond)34323 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_AddBond ( SEXP self, SEXP bond) {
34324   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; OpenBabel::OBBond *arg2 = (OpenBabel::OBBond *) 0 ;
34325   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
34326   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 );
34327   if (!SWIG_IsOK(res1)) {
34328     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_AddBond" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34329    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1);
34330   res2 = SWIG_R_ConvertPtr(bond, &argp2, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res2)) {
34331     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_AddBond" "', argument " "2"" of type '" "OpenBabel::OBBond *""'");  }
34332    arg2 = reinterpret_cast< OpenBabel::OBBond * >(argp2); (*arg1)->AddBond(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
34333   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_InsertBond(SEXP self,SEXP i,SEXP bond)34334 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_InsertBond ( SEXP self, SEXP i, SEXP bond) {
34335   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; OpenBabel::OBBondIterator *arg2 = 0 ;
34336   OpenBabel::OBBond *arg3 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
34337   void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34338   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34339     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_InsertBond" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34340    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1);
34341   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator,  0 );
34342   if (!SWIG_IsOK(res2)) {
34343     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_InsertBond" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'");  }
34344    if (!argp2) {
34345     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtomAtomIter_InsertBond" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'"); }
34346    arg2 = reinterpret_cast< OpenBabel::OBBondIterator * >(argp2);
34347   res3 = SWIG_R_ConvertPtr(bond, &argp3, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res3)) {
34348     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBAtomAtomIter_InsertBond" "', argument " "3"" of type '" "OpenBabel::OBBond *""'");  }
34349    arg3 = reinterpret_cast< OpenBabel::OBBond * >(argp3); (*arg1)->InsertBond(*arg2,arg3); r_ans = R_NilValue; vmaxset(r_vmax);
34350   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_DeleteBond(SEXP self,SEXP bond,SEXP s_swig_copy)34351 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_DeleteBond ( SEXP self, SEXP bond, SEXP s_swig_copy) { bool result;
34352   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; OpenBabel::OBBond *arg2 = (OpenBabel::OBBond *) 0 ;
34353   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
34354   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 );
34355   if (!SWIG_IsOK(res1)) {
34356     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_DeleteBond" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34357    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1);
34358   res2 = SWIG_R_ConvertPtr(bond, &argp2, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res2)) {
34359     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_DeleteBond" "', argument " "2"" of type '" "OpenBabel::OBBond *""'");  }
34360    arg2 = reinterpret_cast< OpenBabel::OBBond * >(argp2); result = (bool)(*arg1)->DeleteBond(arg2);
34361   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_ClearBond(SEXP self)34362 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_ClearBond ( SEXP self) {
34363   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34364   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34365   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34366     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_ClearBond" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34367    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); (*arg1)->ClearBond(); r_ans = R_NilValue; vmaxset(r_vmax);
34368   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_HtoMethyl(SEXP self,SEXP s_swig_copy)34369 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_HtoMethyl ( SEXP self, SEXP s_swig_copy) { bool result;
34370   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34371   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34372   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34373     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_HtoMethyl" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34374    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (bool)(*arg1)->HtoMethyl();
34375   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_SetHybAndGeom(SEXP self,SEXP s_arg2,SEXP s_swig_copy)34376 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_SetHybAndGeom ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
34377   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
34378   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34379   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34380     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_SetHybAndGeom" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34381    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
34382   result = (bool)(*arg1)->SetHybAndGeom(arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
34383   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_ForceNoH(SEXP self)34384 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_ForceNoH ( SEXP self) {
34385   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34386   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34387   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34388     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_ForceNoH" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34389    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); (*arg1)->ForceNoH(); r_ans = R_NilValue; vmaxset(r_vmax);
34390   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_HasNoHForced(SEXP self,SEXP s_swig_copy)34391 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_HasNoHForced ( SEXP self, SEXP s_swig_copy) { bool result;
34392   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34393   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34394   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34395     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_HasNoHForced" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34396    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (bool)(*arg1)->HasNoHForced();
34397   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_ForceImplH(SEXP self)34398 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_ForceImplH ( SEXP self) {
34399   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34400   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34401   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34402     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_ForceImplH" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34403    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); (*arg1)->ForceImplH(); r_ans = R_NilValue; vmaxset(r_vmax);
34404   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_HasImplHForced(SEXP self,SEXP s_swig_copy)34405 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_HasImplHForced ( SEXP self, SEXP s_swig_copy) { bool result;
34406   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34407   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34408   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34409     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_HasImplHForced" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34410    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (bool)(*arg1)->HasImplHForced();
34411   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_CountFreeOxygens(SEXP self,SEXP s_swig_copy)34412 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_CountFreeOxygens ( SEXP self, SEXP s_swig_copy) { unsigned int result;
34413   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34414   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34415   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34416     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_CountFreeOxygens" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const *""'");  }
34417    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (unsigned int)(*arg1)->CountFreeOxygens();
34418   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_CountFreeSulfurs(SEXP self,SEXP s_swig_copy)34419 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_CountFreeSulfurs ( SEXP self, SEXP s_swig_copy) { unsigned int result;
34420   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34421   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34422   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34423     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_CountFreeSulfurs" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const *""'");  }
34424    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (unsigned int)(*arg1)->CountFreeSulfurs();
34425   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_ImplicitHydrogenCount(SEXP self,SEXP s_swig_copy)34426 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_ImplicitHydrogenCount ( SEXP self, SEXP s_swig_copy) { unsigned int result;
34427   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34428   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34429   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34430     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_ImplicitHydrogenCount" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const *""'");  }
34431    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (unsigned int)(*arg1)->ImplicitHydrogenCount();
34432   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_ExplicitHydrogenCount__SWIG_0(SEXP self,SEXP ExcludeIsotopes,SEXP s_swig_copy)34433 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_ExplicitHydrogenCount__SWIG_0 ( SEXP self, SEXP ExcludeIsotopes, SEXP s_swig_copy) {
34434   unsigned int result; OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; bool arg2 ; void *argp1 = 0 ;
34435   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34436   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34437     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_ExplicitHydrogenCount" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const *""'");  }
34438    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); arg2 = LOGICAL(ExcludeIsotopes)[0] ? true : false;
34439   result = (unsigned int)(*arg1)->ExplicitHydrogenCount(arg2); r_ans = SWIG_From_int(static_cast< int >(result));
34440   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_ExplicitHydrogenCount__SWIG_1(SEXP self,SEXP s_swig_copy)34441 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_ExplicitHydrogenCount__SWIG_1 ( SEXP self, SEXP s_swig_copy) { unsigned int result;
34442   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34443   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34444   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34445     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_ExplicitHydrogenCount" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const *""'");  }
34446    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (unsigned int)(*arg1)->ExplicitHydrogenCount();
34447   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_MemberOfRingCount(SEXP self,SEXP s_swig_copy)34448 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_MemberOfRingCount ( SEXP self, SEXP s_swig_copy) { unsigned int result;
34449   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34450   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34451   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34452     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_MemberOfRingCount" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const *""'");  }
34453    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (unsigned int)(*arg1)->MemberOfRingCount();
34454   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_MemberOfRingSize(SEXP self,SEXP s_swig_copy)34455 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_MemberOfRingSize ( SEXP self, SEXP s_swig_copy) { unsigned int result;
34456   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34457   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34458   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34459     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_MemberOfRingSize" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const *""'");  }
34460    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (unsigned int)(*arg1)->MemberOfRingSize();
34461   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_CountRingBonds(SEXP self,SEXP s_swig_copy)34462 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_CountRingBonds ( SEXP self, SEXP s_swig_copy) { unsigned int result;
34463   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34464   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34465   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34466     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_CountRingBonds" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const *""'");  }
34467    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (unsigned int)(*arg1)->CountRingBonds();
34468   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_SmallestBondAngle(SEXP self,SEXP s_swig_copy)34469 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_SmallestBondAngle ( SEXP self, SEXP s_swig_copy) { double result;
34470   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34471   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34472   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34473     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_SmallestBondAngle" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34474    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (double)(*arg1)->SmallestBondAngle();
34475   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
34476   return r_ans; }
R_swig_OBAtomAtomIter_AverageBondAngle(SEXP self,SEXP s_swig_copy)34477 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_AverageBondAngle ( SEXP self, SEXP s_swig_copy) { double result;
34478   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34479   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34480   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34481     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_AverageBondAngle" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34482    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (double)(*arg1)->AverageBondAngle();
34483   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
34484   return r_ans; }
R_swig_OBAtomAtomIter_BOSum(SEXP self,SEXP s_swig_copy)34485 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_BOSum ( SEXP self, SEXP s_swig_copy) { unsigned int result;
34486   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34487   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34488   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34489     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_BOSum" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const *""'");  }
34490    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (unsigned int)(*arg1)->BOSum();
34491   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_KBOSum(SEXP self,SEXP s_swig_copy)34492 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_KBOSum ( SEXP self, SEXP s_swig_copy) { unsigned int result;
34493   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34494   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34495   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34496     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_KBOSum" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const *""'");  }
34497    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (unsigned int)(*arg1)->KBOSum();
34498   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_LewisAcidBaseCounts(SEXP self,SEXP s_swig_copy)34499 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_LewisAcidBaseCounts ( SEXP self, SEXP s_swig_copy) {
34500   SwigValueWrapper< std::pair< int,int > > result; OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ;
34501   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34502   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34503     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_LewisAcidBaseCounts" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const *""'");  }
34504    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (*arg1)->LewisAcidBaseCounts();
34505   r_ans = SWIG_R_NewPointerObj((new std::pair< int,int >(static_cast< const std::pair< int,int >& >(result))), SWIGTYPE_p_std__pairT_int_int_t, SWIG_POINTER_OWN |  0 );
34506   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_HasResidue(SEXP self,SEXP s_swig_copy)34507 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_HasResidue ( SEXP self, SEXP s_swig_copy) { bool result;
34508   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34509   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34510   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34511     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_HasResidue" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34512    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (bool)(*arg1)->HasResidue();
34513   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_IsCarbon(SEXP self,SEXP s_swig_copy)34514 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_IsCarbon ( SEXP self, SEXP s_swig_copy) { bool result;
34515   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34516   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34517   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34518     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_IsCarbon" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34519    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (bool)(*arg1)->IsCarbon();
34520   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_IsNitrogen(SEXP self,SEXP s_swig_copy)34521 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_IsNitrogen ( SEXP self, SEXP s_swig_copy) { bool result;
34522   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34523   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34524   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34525     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_IsNitrogen" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34526    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (bool)(*arg1)->IsNitrogen();
34527   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_IsOxygen(SEXP self,SEXP s_swig_copy)34528 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_IsOxygen ( SEXP self, SEXP s_swig_copy) { bool result;
34529   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34530   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34531   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34532     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_IsOxygen" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34533    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (bool)(*arg1)->IsOxygen();
34534   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_IsSulfur(SEXP self,SEXP s_swig_copy)34535 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_IsSulfur ( SEXP self, SEXP s_swig_copy) { bool result;
34536   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34537   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34538   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34539     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_IsSulfur" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34540    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (bool)(*arg1)->IsSulfur();
34541   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_IsPhosphorus(SEXP self,SEXP s_swig_copy)34542 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_IsPhosphorus ( SEXP self, SEXP s_swig_copy) { bool result;
34543   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34544   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34545   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34546     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_IsPhosphorus" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34547    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (bool)(*arg1)->IsPhosphorus();
34548   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_IsAromatic(SEXP self,SEXP s_swig_copy)34549 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_IsAromatic ( SEXP self, SEXP s_swig_copy) { bool result;
34550   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34551   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34552   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34553     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_IsAromatic" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const *""'");  }
34554    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (bool)(*arg1)->IsAromatic();
34555   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_IsInRing(SEXP self,SEXP s_swig_copy)34556 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_IsInRing ( SEXP self, SEXP s_swig_copy) { bool result;
34557   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34558   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34559   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34560     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_IsInRing" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const *""'");  }
34561    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (bool)(*arg1)->IsInRing();
34562   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_IsInRingSize(SEXP self,SEXP s_arg2,SEXP s_swig_copy)34563 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_IsInRingSize ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
34564   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
34565   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34566   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34567     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_IsInRingSize" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const *""'");  }
34568    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
34569   result = (bool)(*arg1)->IsInRingSize(arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
34570   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_IsHeteroatom(SEXP self,SEXP s_swig_copy)34571 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_IsHeteroatom ( SEXP self, SEXP s_swig_copy) { bool result;
34572   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34573   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34574   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34575     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_IsHeteroatom" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34576    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (bool)(*arg1)->IsHeteroatom();
34577   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_IsNotCorH(SEXP self,SEXP s_swig_copy)34578 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_IsNotCorH ( SEXP self, SEXP s_swig_copy) { bool result;
34579   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34580   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34581   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34582     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_IsNotCorH" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34583    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (bool)(*arg1)->IsNotCorH();
34584   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_IsConnected(SEXP self,SEXP s_arg2,SEXP s_swig_copy)34585 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_IsConnected ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
34586   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
34587   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
34588   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 );
34589   if (!SWIG_IsOK(res1)) {
34590     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_IsConnected" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34591    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1);
34592   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
34593     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_IsConnected" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
34594    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (bool)(*arg1)->IsConnected(arg2);
34595   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_IsOneThree(SEXP self,SEXP s_arg2,SEXP s_swig_copy)34596 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_IsOneThree ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
34597   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
34598   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
34599   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 );
34600   if (!SWIG_IsOK(res1)) {
34601     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_IsOneThree" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34602    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1);
34603   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
34604     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_IsOneThree" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
34605    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (bool)(*arg1)->IsOneThree(arg2);
34606   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_IsOneFour(SEXP self,SEXP s_arg2,SEXP s_swig_copy)34607 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_IsOneFour ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
34608   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
34609   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
34610   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 );
34611   if (!SWIG_IsOK(res1)) {
34612     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_IsOneFour" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34613    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1);
34614   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
34615     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_IsOneFour" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
34616    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (bool)(*arg1)->IsOneFour(arg2);
34617   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_IsCarboxylOxygen(SEXP self,SEXP s_swig_copy)34618 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_IsCarboxylOxygen ( SEXP self, SEXP s_swig_copy) { bool result;
34619   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34620   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34621   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34622     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_IsCarboxylOxygen" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34623    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (bool)(*arg1)->IsCarboxylOxygen();
34624   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_IsThiocarboxylSulfur(SEXP self,SEXP s_swig_copy)34625 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_IsThiocarboxylSulfur ( SEXP self, SEXP s_swig_copy) { bool result;
34626   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34627   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34628   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34629     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_IsThiocarboxylSulfur" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34630    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (bool)(*arg1)->IsThiocarboxylSulfur();
34631   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_IsPhosphateOxygen(SEXP self,SEXP s_swig_copy)34632 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_IsPhosphateOxygen ( SEXP self, SEXP s_swig_copy) { bool result;
34633   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34634   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34635   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34636     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_IsPhosphateOxygen" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34637    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (bool)(*arg1)->IsPhosphateOxygen();
34638   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_IsSulfateOxygen(SEXP self,SEXP s_swig_copy)34639 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_IsSulfateOxygen ( SEXP self, SEXP s_swig_copy) { bool result;
34640   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34641   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34642   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34643     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_IsSulfateOxygen" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34644    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (bool)(*arg1)->IsSulfateOxygen();
34645   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_IsNitroOxygen(SEXP self,SEXP s_swig_copy)34646 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_IsNitroOxygen ( SEXP self, SEXP s_swig_copy) { bool result;
34647   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34648   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34649   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34650     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_IsNitroOxygen" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34651    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (bool)(*arg1)->IsNitroOxygen();
34652   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_IsAmideNitrogen(SEXP self,SEXP s_swig_copy)34653 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_IsAmideNitrogen ( SEXP self, SEXP s_swig_copy) { bool result;
34654   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34655   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34656   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34657     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_IsAmideNitrogen" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34658    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (bool)(*arg1)->IsAmideNitrogen();
34659   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_IsPolarHydrogen(SEXP self,SEXP s_swig_copy)34660 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_IsPolarHydrogen ( SEXP self, SEXP s_swig_copy) { bool result;
34661   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34662   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34663   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34664     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_IsPolarHydrogen" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34665    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (bool)(*arg1)->IsPolarHydrogen();
34666   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_IsNonPolarHydrogen(SEXP self,SEXP s_swig_copy)34667 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_IsNonPolarHydrogen ( SEXP self, SEXP s_swig_copy) { bool result;
34668   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34669   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34670   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34671     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_IsNonPolarHydrogen" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34672    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (bool)(*arg1)->IsNonPolarHydrogen();
34673   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_IsAromaticNOxide(SEXP self,SEXP s_swig_copy)34674 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_IsAromaticNOxide ( SEXP self, SEXP s_swig_copy) { bool result;
34675   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34676   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34677   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34678     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_IsAromaticNOxide" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34679    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (bool)(*arg1)->IsAromaticNOxide();
34680   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_IsChiral(SEXP self,SEXP s_swig_copy)34681 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_IsChiral ( SEXP self, SEXP s_swig_copy) { bool result;
34682   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34683   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34684   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34685     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_IsChiral" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34686    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (bool)(*arg1)->IsChiral();
34687   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_IsAxial(SEXP self,SEXP s_swig_copy)34688 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_IsAxial ( SEXP self, SEXP s_swig_copy) { bool result;
34689   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34690   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34691   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34692     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_IsAxial" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34693    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (bool)(*arg1)->IsAxial();
34694   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_IsClockwise(SEXP self,SEXP s_swig_copy)34695 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_IsClockwise ( SEXP self, SEXP s_swig_copy) { bool result;
34696   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34697   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34698   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34699     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_IsClockwise" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34700    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (bool)(*arg1)->IsClockwise();
34701   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_IsAntiClockwise(SEXP self,SEXP s_swig_copy)34702 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_IsAntiClockwise ( SEXP self, SEXP s_swig_copy) { bool result;
34703   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34704   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34705   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34706     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_IsAntiClockwise" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34707    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (bool)(*arg1)->IsAntiClockwise();
34708   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_IsPositiveStereo(SEXP self,SEXP s_swig_copy)34709 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_IsPositiveStereo ( SEXP self, SEXP s_swig_copy) { bool result;
34710   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34711   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34712   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34713     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_IsPositiveStereo" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34714    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (bool)(*arg1)->IsPositiveStereo();
34715   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_IsNegativeStereo(SEXP self,SEXP s_swig_copy)34716 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_IsNegativeStereo ( SEXP self, SEXP s_swig_copy) { bool result;
34717   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34718   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34719   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34720     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_IsNegativeStereo" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34721    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (bool)(*arg1)->IsNegativeStereo();
34722   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_HasChiralitySpecified(SEXP self,SEXP s_swig_copy)34723 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_HasChiralitySpecified ( SEXP self, SEXP s_swig_copy) { bool result;
34724   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34725   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34726   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34727     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_HasChiralitySpecified" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34728    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (bool)(*arg1)->HasChiralitySpecified();
34729   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_HasChiralVolume(SEXP self,SEXP s_swig_copy)34730 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_HasChiralVolume ( SEXP self, SEXP s_swig_copy) { bool result;
34731   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34732   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34733   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34734     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_HasChiralVolume" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34735    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (bool)(*arg1)->HasChiralVolume();
34736   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_IsHbondAcceptor(SEXP self,SEXP s_swig_copy)34737 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_IsHbondAcceptor ( SEXP self, SEXP s_swig_copy) { bool result;
34738   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34739   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34740   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34741     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_IsHbondAcceptor" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34742    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (bool)(*arg1)->IsHbondAcceptor();
34743   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_IsHbondDonor(SEXP self,SEXP s_swig_copy)34744 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_IsHbondDonor ( SEXP self, SEXP s_swig_copy) { bool result;
34745   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34746   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34747   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34748     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_IsHbondDonor" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34749    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (bool)(*arg1)->IsHbondDonor();
34750   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_IsHbondDonorH(SEXP self,SEXP s_swig_copy)34751 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_IsHbondDonorH ( SEXP self, SEXP s_swig_copy) { bool result;
34752   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34753   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34754   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34755     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_IsHbondDonorH" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34756    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (bool)(*arg1)->IsHbondDonorH();
34757   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_IsMetal(SEXP self,SEXP s_swig_copy)34758 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_IsMetal ( SEXP self, SEXP s_swig_copy) { bool result;
34759   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34760   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34761   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34762     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_IsMetal" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34763    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (bool)(*arg1)->IsMetal();
34764   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_HasAlphaBetaUnsat__SWIG_0(SEXP self,SEXP includePandS,SEXP s_swig_copy)34765 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_HasAlphaBetaUnsat__SWIG_0 ( SEXP self, SEXP includePandS, SEXP s_swig_copy) { bool result;
34766   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
34767   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34768   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34769     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_HasAlphaBetaUnsat" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34770    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); arg2 = LOGICAL(includePandS)[0] ? true : false;
34771   result = (bool)(*arg1)->HasAlphaBetaUnsat(arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
34772   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_HasAlphaBetaUnsat__SWIG_1(SEXP self,SEXP s_swig_copy)34773 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_HasAlphaBetaUnsat__SWIG_1 ( SEXP self, SEXP s_swig_copy) { bool result;
34774   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34775   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34776   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34777     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_HasAlphaBetaUnsat" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34778    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (bool)(*arg1)->HasAlphaBetaUnsat();
34779   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_HasBondOfOrder(SEXP self,SEXP bo,SEXP s_swig_copy)34780 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_HasBondOfOrder ( SEXP self, SEXP bo, SEXP s_swig_copy) { bool result;
34781   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
34782   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34783   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34784     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_HasBondOfOrder" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34785    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); ecode2 = SWIG_AsVal_int(bo, &val2); if (!SWIG_IsOK(ecode2)) {
34786     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBAtomAtomIter_HasBondOfOrder" "', argument " "2"" of type '" "unsigned int""'"); }
34787     arg2 = static_cast< unsigned int >(val2); result = (bool)(*arg1)->HasBondOfOrder(arg2); r_ans = Rf_ScalarLogical(result);
34788   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_CountBondsOfOrder(SEXP self,SEXP bo,SEXP s_swig_copy)34789 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_CountBondsOfOrder ( SEXP self, SEXP bo, SEXP s_swig_copy) { int result;
34790   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
34791   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34792   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34793     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_CountBondsOfOrder" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34794    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); ecode2 = SWIG_AsVal_int(bo, &val2); if (!SWIG_IsOK(ecode2)) {
34795     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBAtomAtomIter_CountBondsOfOrder" "', argument " "2"" of type '" "unsigned int""'"); }
34796     arg2 = static_cast< unsigned int >(val2); result = (int)(*arg1)->CountBondsOfOrder(arg2); r_ans = Rf_ScalarInteger(result);
34797   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_HasNonSingleBond(SEXP self,SEXP s_swig_copy)34798 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_HasNonSingleBond ( SEXP self, SEXP s_swig_copy) { bool result;
34799   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34800   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34801   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34802     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_HasNonSingleBond" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34803    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (bool)(*arg1)->HasNonSingleBond();
34804   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_HasSingleBond(SEXP self,SEXP s_swig_copy)34805 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_HasSingleBond ( SEXP self, SEXP s_swig_copy) { bool result;
34806   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34807   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34808   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34809     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_HasSingleBond" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34810    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (bool)(*arg1)->HasSingleBond();
34811   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_HasDoubleBond(SEXP self,SEXP s_swig_copy)34812 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_HasDoubleBond ( SEXP self, SEXP s_swig_copy) { bool result;
34813   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34814   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34815   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34816     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_HasDoubleBond" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34817    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (bool)(*arg1)->HasDoubleBond();
34818   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_HasAromaticBond(SEXP self,SEXP s_swig_copy)34819 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_HasAromaticBond ( SEXP self, SEXP s_swig_copy) { bool result;
34820   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34821   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34822   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34823     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_HasAromaticBond" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34824    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (bool)(*arg1)->HasAromaticBond();
34825   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_MatchesSMARTS(SEXP self,SEXP s_arg2,SEXP s_swig_copy)34826 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_MatchesSMARTS ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
34827   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; char *arg2 = (char *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34828   int res2 ; char *buf2 = 0 ; int alloc2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
34829   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 );
34830   if (!SWIG_IsOK(res1)) {
34831     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_MatchesSMARTS" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34832    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); res2 = SWIG_AsCharPtrAndSize(s_arg2, &buf2, NULL, &alloc2);
34833   if (!SWIG_IsOK(res2)) {
34834     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_MatchesSMARTS" "', argument " "2"" of type '" "char const *""'"); }
34835    arg2 = reinterpret_cast< char * >(buf2); result = (bool)(*arg1)->MatchesSMARTS((char const *)arg2);
34836   r_ans = Rf_ScalarLogical(result); if (alloc2 == SWIG_NEWOBJ) delete[] buf2; vmaxset(r_vmax);
34837   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_Clear(SEXP self,SEXP s_swig_copy)34838 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_Clear ( SEXP self, SEXP s_swig_copy) { bool result;
34839   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34840   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34841   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34842     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_Clear" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34843    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (bool)(*arg1)->Clear();
34844   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_DoTransformations(SEXP self,SEXP s_arg2,SEXP s_arg3)34845 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_DoTransformations ( SEXP self, SEXP s_arg2, SEXP s_arg3) { OpenBabel::OBBase *result = 0 ;
34846   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ;
34847   std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > *arg2 = (std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > *) 0 ;
34848   OpenBabel::OBConversion *arg3 = (OpenBabel::OBConversion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
34849   int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
34850   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 );
34851   if (!SWIG_IsOK(res1)) {
34852     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_DoTransformations" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34853    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1);
34854   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_std__mapT_std__string_std__string_std__lessT_std__string_t_std__allocatorT_std__pairT_std__string_const_std__string_t_t_t, 0 |  0 );
34855   if (!SWIG_IsOK(res2)) {
34856     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_DoTransformations" "', argument " "2"" of type '" "std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > const *""'");  }
34857 
34858   arg2 = reinterpret_cast< std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > * >(argp2);
34859   res3 = SWIG_R_ConvertPtr(s_arg3, &argp3, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res3)) {
34860     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBAtomAtomIter_DoTransformations" "', argument " "3"" of type '" "OpenBabel::OBConversion *""'");  }
34861    arg3 = reinterpret_cast< OpenBabel::OBConversion * >(argp3);
34862   result = (OpenBabel::OBBase *)(*arg1)->DoTransformations((std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > const *)arg2,arg3);
34863   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBase, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
34864   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_ClassDescription(SEXP self)34865 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_ClassDescription ( SEXP self) { char *result = 0 ;
34866   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34867   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34868   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34869     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_ClassDescription" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34870    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (char *)(*arg1)->ClassDescription();
34871   r_ans = SWIG_FromCharPtr((const char *)result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_GetTitle__SWIG_0(SEXP self,SEXP replaceNewlines)34872 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_GetTitle__SWIG_0 ( SEXP self, SEXP replaceNewlines) { char *result = 0 ;
34873   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
34874   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34875   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34876     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetTitle" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const *""'");  }
34877    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); arg2 = LOGICAL(replaceNewlines)[0] ? true : false;
34878   result = (char *)(*arg1)->GetTitle(arg2); r_ans = SWIG_FromCharPtr((const char *)result); vmaxset(r_vmax);
34879   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_GetTitle__SWIG_1(SEXP self)34880 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_GetTitle__SWIG_1 ( SEXP self) { char *result = 0 ;
34881   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34882   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34883   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34884     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetTitle" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const *""'");  }
34885    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (char *)(*arg1)->GetTitle();
34886   r_ans = SWIG_FromCharPtr((const char *)result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_SetTitle(SEXP self,SEXP s_arg2)34887 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_SetTitle ( SEXP self, SEXP s_arg2) {
34888   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; char *arg2 = (char *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34889   int res2 ; char *buf2 = 0 ; int alloc2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
34890   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 );
34891   if (!SWIG_IsOK(res1)) {
34892     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_SetTitle" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34893    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); res2 = SWIG_AsCharPtrAndSize(s_arg2, &buf2, NULL, &alloc2);
34894   if (!SWIG_IsOK(res2)) {
34895     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_SetTitle" "', argument " "2"" of type '" "char const *""'"); }
34896    arg2 = reinterpret_cast< char * >(buf2); (*arg1)->SetTitle((char const *)arg2); r_ans = R_NilValue;
34897   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_HasData__SWIG_0(SEXP self,SEXP s_arg2,SEXP s_swig_copy)34898 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_HasData__SWIG_0 ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
34899   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
34900   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34901   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34902     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_HasData" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34903    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); { std::string *ptr = (std::string *)0;
34904     res2 = SWIG_AsPtr_std_string(s_arg2, &ptr); if (!SWIG_IsOK(res2)) {
34905       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_HasData" "', argument " "2"" of type '" "std::string const &""'"); }
34906      if (!ptr) {
34907       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtomAtomIter_HasData" "', argument " "2"" of type '" "std::string const &""'"); }
34908      arg2 = ptr; }  result = (bool)(*arg1)->HasData((std::string const &)*arg2); r_ans = Rf_ScalarLogical(result);
34909   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_HasData__SWIG_1(SEXP self,SEXP type,SEXP s_swig_copy)34910 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_HasData__SWIG_1 ( SEXP self, SEXP type, SEXP s_swig_copy) { bool result;
34911   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
34912   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34913   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34914     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_HasData" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34915    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); ecode2 = SWIG_AsVal_int(type, &val2);
34916   if (!SWIG_IsOK(ecode2)) {
34917     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBAtomAtomIter_HasData" "', argument " "2"" of type '" "unsigned int""'"); }
34918     arg2 = static_cast< unsigned int >(val2); result = (bool)(*arg1)->HasData(arg2); r_ans = Rf_ScalarLogical(result);
34919   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_DeleteData__SWIG_0(SEXP self,SEXP type)34920 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_DeleteData__SWIG_0 ( SEXP self, SEXP type) {
34921   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
34922   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34923   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34924     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_DeleteData" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34925    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); ecode2 = SWIG_AsVal_int(type, &val2);
34926   if (!SWIG_IsOK(ecode2)) {
34927     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBAtomAtomIter_DeleteData" "', argument " "2"" of type '" "unsigned int""'"); }
34928     arg2 = static_cast< unsigned int >(val2); (*arg1)->DeleteData(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
34929   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_DeleteData__SWIG_1(SEXP self,SEXP s_arg2)34930 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_DeleteData__SWIG_1 ( SEXP self, SEXP s_arg2) {
34931   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ;
34932   OpenBabel::OBGenericData *arg2 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
34933   int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34934   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34935     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_DeleteData" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34936    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1);
34937   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res2)) {
34938     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_DeleteData" "', argument " "2"" of type '" "OpenBabel::OBGenericData *""'");  }
34939    arg2 = reinterpret_cast< OpenBabel::OBGenericData * >(argp2); (*arg1)->DeleteData(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
34940   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_DeleteData__SWIG_2(SEXP self,SEXP s_arg2)34941 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_DeleteData__SWIG_2 ( SEXP self, SEXP s_arg2) {
34942   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ;
34943   std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > *arg2 = 0 ; void *argp1 = 0 ;
34944   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
34945   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 );
34946   if (!SWIG_IsOK(res1)) {
34947     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_DeleteData" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34948    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1);
34949   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t,  0 );
34950   if (!SWIG_IsOK(res2)) {
34951     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_DeleteData" "', argument " "2"" of type '" "std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > &""'");  }
34952    if (!argp2) {
34953     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtomAtomIter_DeleteData" "', argument " "2"" of type '" "std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > &""'"); }
34954    arg2 = reinterpret_cast< std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > * >(argp2);
34955   (*arg1)->DeleteData(*arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_DeleteData__SWIG_3(SEXP self,SEXP s,SEXP s_swig_copy)34956 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_DeleteData__SWIG_3 ( SEXP self, SEXP s, SEXP s_swig_copy) { bool result;
34957   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
34958   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34959   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34960     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_DeleteData" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34961    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); { std::string *ptr = (std::string *)0;
34962     res2 = SWIG_AsPtr_std_string(s, &ptr); if (!SWIG_IsOK(res2)) {
34963       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_DeleteData" "', argument " "2"" of type '" "std::string const &""'"); }
34964      if (!ptr) {
34965       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtomAtomIter_DeleteData" "', argument " "2"" of type '" "std::string const &""'"); }
34966      arg2 = ptr; }  result = (bool)(*arg1)->DeleteData((std::string const &)*arg2); r_ans = Rf_ScalarLogical(result);
34967   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_CloneData(SEXP self,SEXP d)34968 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_CloneData ( SEXP self, SEXP d) {
34969   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ;
34970   OpenBabel::OBGenericData *arg2 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
34971   int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34972   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34973     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_CloneData" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34974    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1);
34975   res2 = SWIG_R_ConvertPtr(d, &argp2, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res2)) {
34976     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_CloneData" "', argument " "2"" of type '" "OpenBabel::OBGenericData *""'");  }
34977    arg2 = reinterpret_cast< OpenBabel::OBGenericData * >(argp2); (*arg1)->CloneData(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
34978   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_DataSize(SEXP self,SEXP s_swig_copy)34979 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_DataSize ( SEXP self, SEXP s_swig_copy) { size_t result;
34980   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
34981   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34982   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34983     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_DataSize" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter const *""'");  }
34984    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (*arg1)->DataSize();
34985   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_GetData__SWIG_0(SEXP self,SEXP type)34986 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_GetData__SWIG_0 ( SEXP self, SEXP type) { OpenBabel::OBGenericData *result = 0 ;
34987   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
34988   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
34989   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
34990     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetData" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
34991    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); ecode2 = SWIG_AsVal_int(type, &val2);
34992   if (!SWIG_IsOK(ecode2)) {
34993     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBAtomAtomIter_GetData" "', argument " "2"" of type '" "unsigned int""'"); }
34994     arg2 = static_cast< unsigned int >(val2); result = (OpenBabel::OBGenericData *)(*arg1)->GetData(arg2);
34995   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGenericData, R_SWIG_EXTERNAL |  0 );
34996   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_GetData__SWIG_1(SEXP self,SEXP s_arg2)34997 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_GetData__SWIG_1 ( SEXP self, SEXP s_arg2) { OpenBabel::OBGenericData *result = 0 ;
34998   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
34999   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35000   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35001     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetData" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
35002    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); { std::string *ptr = (std::string *)0;
35003     res2 = SWIG_AsPtr_std_string(s_arg2, &ptr); if (!SWIG_IsOK(res2)) {
35004       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomAtomIter_GetData" "', argument " "2"" of type '" "std::string const &""'"); }
35005      if (!ptr) {
35006       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtomAtomIter_GetData" "', argument " "2"" of type '" "std::string const &""'"); }
35007      arg2 = ptr; }  result = (OpenBabel::OBGenericData *)(*arg1)->GetData((std::string const &)*arg2);
35008   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGenericData, R_SWIG_EXTERNAL |  0 );
35009   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_GetData__SWIG_2(SEXP self,SEXP s_swig_copy)35010 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_GetData__SWIG_2 ( SEXP self, SEXP s_swig_copy) {
35011   std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > *result = 0 ;
35012   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35013   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35014   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35015     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetData" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
35016    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1);
35017   result = (std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > *) &(*arg1)->GetData();
35018   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t, R_SWIG_EXTERNAL |  0 );
35019   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_GetData__SWIG_3(SEXP self,SEXP source,SEXP s_swig_copy)35020 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_GetData__SWIG_3 ( SEXP self, SEXP source, SEXP s_swig_copy) {
35021   std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > result;
35022   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; OpenBabel::DataOrigin arg2 ; void *argp1 = 0 ;
35023   int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
35024   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 );
35025   if (!SWIG_IsOK(res1)) {
35026     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetData" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
35027    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); ecode2 = SWIG_AsVal_int(source, &val2);
35028   if (!SWIG_IsOK(ecode2)) {
35029     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBAtomAtomIter_GetData" "', argument " "2"" of type '" "OpenBabel::DataOrigin""'"); }
35030     arg2 = static_cast< OpenBabel::DataOrigin >(val2); result = (*arg1)->GetData(arg2);
35031   r_ans = swig::from(static_cast< std::vector<OpenBabel::OBGenericData*,std::allocator< OpenBabel::OBGenericData * > > >(result));
35032   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_GetAllData(SEXP self,SEXP type,SEXP s_swig_copy)35033 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_GetAllData ( SEXP self, SEXP type, SEXP s_swig_copy) {
35034   std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > result;
35035   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
35036   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35037   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35038     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_GetAllData" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
35039    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); ecode2 = SWIG_AsVal_int(type, &val2);
35040   if (!SWIG_IsOK(ecode2)) {
35041     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBAtomAtomIter_GetAllData" "', argument " "2"" of type '" "unsigned int""'"); }
35042     arg2 = static_cast< unsigned int >(val2); result = (*arg1)->GetAllData(arg2);
35043   r_ans = swig::from(static_cast< std::vector<OpenBabel::OBGenericData*,std::allocator< OpenBabel::OBGenericData * > > >(result));
35044   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_BeginData(SEXP self,SEXP s_swig_copy)35045 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_BeginData ( SEXP self, SEXP s_swig_copy) {
35046   SwigValueWrapper< std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > >::iterator > result;
35047   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35048   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35049   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35050     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_BeginData" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
35051    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (*arg1)->BeginData();
35052   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBDataIterator(static_cast< const OpenBabel::OBDataIterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
35053   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomAtomIter_EndData(SEXP self,SEXP s_swig_copy)35054 SWIGEXPORT SEXP R_swig_OBAtomAtomIter_EndData ( SEXP self, SEXP s_swig_copy) {
35055   SwigValueWrapper< std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > >::iterator > result;
35056   OpenBabel::OBAtomAtomIter *arg1 = (OpenBabel::OBAtomAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35057   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35058   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35059     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomAtomIter_EndData" "', argument " "1"" of type '" "OpenBabel::OBAtomAtomIter *""'");  }
35060    arg1 = reinterpret_cast< OpenBabel::OBAtomAtomIter * >(argp1); result = (*arg1)->EndData();
35061   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBDataIterator(static_cast< const OpenBabel::OBDataIterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
35062   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBAtomBondIter__SWIG_0()35063 SWIGEXPORT SEXP R_swig_new_OBAtomBondIter__SWIG_0 ( ) { OpenBabel::OBAtomBondIter *result = 0 ; unsigned int r_nprotect = 0;
35064   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBAtomBondIter *)new OpenBabel::OBAtomBondIter();
35065   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtomBondIter, R_SWIG_OWNER |  0 );
35066   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBAtomBondIter__SWIG_1(SEXP atm)35067 SWIGEXPORT SEXP R_swig_new_OBAtomBondIter__SWIG_1 ( SEXP atm) { OpenBabel::OBAtomBondIter *result = 0 ;
35068   OpenBabel::OBAtom *arg1 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
35069   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35070   res1 = SWIG_R_ConvertPtr(atm, &argp1, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35071     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBAtomBondIter" "', argument " "1"" of type '" "OpenBabel::OBAtom *""'");  }
35072    arg1 = reinterpret_cast< OpenBabel::OBAtom * >(argp1);
35073   result = (OpenBabel::OBAtomBondIter *)new OpenBabel::OBAtomBondIter(arg1);
35074   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtomBondIter, R_SWIG_OWNER |  0 );
35075   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBAtomBondIter__SWIG_2(SEXP bi)35076 SWIGEXPORT SEXP R_swig_new_OBAtomBondIter__SWIG_2 ( SEXP bi) { OpenBabel::OBAtomBondIter *result = 0 ;
35077   OpenBabel::OBAtomBondIter *arg1 = 0 ; void *argp1 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
35078   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(bi, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter,  0 );
35079   if (!SWIG_IsOK(res1)) {
35080     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBAtomBondIter" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter const &""'");  }
35081    if (!argp1) {
35082     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBAtomBondIter" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter const &""'"); }
35083    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1);
35084   result = (OpenBabel::OBAtomBondIter *)new OpenBabel::OBAtomBondIter((OpenBabel::OBAtomBondIter const &)*arg1);
35085   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtomBondIter, R_SWIG_OWNER |  0 );
35086   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBAtomBondIter(SEXP self)35087 SWIGEXPORT SEXP R_swig_delete_OBAtomBondIter ( SEXP self) { OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ;
35088   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35089   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, SWIG_POINTER_DISOWN |  0 );
35090   if (!SWIG_IsOK(res1)) {
35091     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBAtomBondIter" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35092    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
35093   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBAtomBondIter_HasMore(SEXP self,SEXP s_swig_copy)35094 SWIGEXPORT SEXP R_swig_OBAtomBondIter_HasMore ( SEXP self, SEXP s_swig_copy) { bool result;
35095   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35096   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35097   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35098     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_HasMore" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter const *""'");  }
35099    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1);
35100   result = (bool)((OpenBabel::OBAtomBondIter const *)arg1)->operator bool(); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
35101   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_inc__SWIG_0(SEXP self,SEXP s_swig_copy)35102 SWIGEXPORT SEXP R_swig_OBAtomBondIter_inc__SWIG_0 ( SEXP self, SEXP s_swig_copy) { OpenBabel::OBAtomBondIter *result = 0 ;
35103   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35104   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35105   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35106     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_inc" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35107    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (OpenBabel::OBAtomBondIter *) &(arg1)->operator ++();
35108   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtomBondIter, R_SWIG_EXTERNAL |  0 );
35109   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_inc__SWIG_1(SEXP self,SEXP s_arg2,SEXP s_swig_copy)35110 SWIGEXPORT SEXP R_swig_OBAtomBondIter_inc__SWIG_1 ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) {
35111   OpenBabel::OBAtomBondIter result; OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; int arg2 ;
35112   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35113   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35114     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_inc" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35115    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
35116   result = (arg1)->operator ++(arg2);
35117   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBAtomBondIter(static_cast< const OpenBabel::OBAtomBondIter& >(result))), SWIGTYPE_p_OpenBabel__OBAtomBondIter, SWIG_POINTER_OWN |  0 );
35118   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter___deref__(SEXP self)35119 SWIGEXPORT SEXP R_swig_OBAtomBondIter___deref__ ( SEXP self) { OpenBabel::OBBond *result = 0 ;
35120   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35121   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35122   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35123     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter___deref__" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter const *""'");  }
35124    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1);
35125   result = (OpenBabel::OBBond *)((OpenBabel::OBAtomBondIter const *)arg1)->operator ->();
35126   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
35127   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter___ref__(SEXP self,SEXP s_swig_copy)35128 SWIGEXPORT SEXP R_swig_OBAtomBondIter___ref__ ( SEXP self, SEXP s_swig_copy) { OpenBabel::OBBond *result = 0 ;
35129   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35130   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35131   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35132     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter___ref__" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter const *""'");  }
35133    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1);
35134   result = (OpenBabel::OBBond *) &((OpenBabel::OBAtomBondIter const *)arg1)->operator *();
35135   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
35136   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_Visit_set(SEXP self,SEXP s_Visit)35137 SWIGEXPORT SEXP R_swig_OBAtomBondIter_Visit_set ( SEXP self, SEXP s_Visit) {
35138   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
35139   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35140   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35141     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35142    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); arg2 = LOGICAL(s_Visit)[0] ? true : false;
35143   if (arg1) (*arg1)->Visit = arg2; r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_Visit_get(SEXP self,SEXP s_swig_copy)35144 SWIGEXPORT SEXP R_swig_OBAtomBondIter_Visit_get ( SEXP self, SEXP s_swig_copy) { bool result;
35145   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35146   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35147   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35148     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35149    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (bool) ((*arg1)->Visit);
35150   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_SetIdx(SEXP self,SEXP idx)35151 SWIGEXPORT SEXP R_swig_OBAtomBondIter_SetIdx ( SEXP self, SEXP idx) {
35152   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
35153   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35154   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35155     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_SetIdx" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35156    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); arg2 = static_cast< int >(INTEGER(idx)[0]);
35157   (*arg1)->SetIdx(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_SetId(SEXP self,SEXP id)35158 SWIGEXPORT SEXP R_swig_OBAtomBondIter_SetId ( SEXP self, SEXP id) {
35159   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; unsigned long arg2 ; void *argp1 = 0 ; int res1 = 0 ;
35160   long val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35161   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35162     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_SetId" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35163    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); ecode2 = SWIG_AsVal_long(id, &val2); if (!SWIG_IsOK(ecode2)) {
35164     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBAtomBondIter_SetId" "', argument " "2"" of type '" "unsigned long""'"); }
35165     arg2 = static_cast< unsigned long >(val2); (*arg1)->SetId(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
35166   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_SetBO(SEXP self,SEXP order)35167 SWIGEXPORT SEXP R_swig_OBAtomBondIter_SetBO ( SEXP self, SEXP order) {
35168   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
35169   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35170   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35171     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_SetBO" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35172    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); arg2 = static_cast< int >(INTEGER(order)[0]);
35173   (*arg1)->SetBO(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_SetBondOrder(SEXP self,SEXP order)35174 SWIGEXPORT SEXP R_swig_OBAtomBondIter_SetBondOrder ( SEXP self, SEXP order) {
35175   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
35176   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35177   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35178     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_SetBondOrder" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35179    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); arg2 = static_cast< int >(INTEGER(order)[0]);
35180   (*arg1)->SetBondOrder(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_SetBegin(SEXP self,SEXP begin)35181 SWIGEXPORT SEXP R_swig_OBAtomBondIter_SetBegin ( SEXP self, SEXP begin) {
35182   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
35183   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
35184   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 );
35185   if (!SWIG_IsOK(res1)) {
35186     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_SetBegin" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35187    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1);
35188   res2 = SWIG_R_ConvertPtr(begin, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
35189     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomBondIter_SetBegin" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
35190    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); (*arg1)->SetBegin(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
35191   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_SetEnd(SEXP self,SEXP end)35192 SWIGEXPORT SEXP R_swig_OBAtomBondIter_SetEnd ( SEXP self, SEXP end) {
35193   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
35194   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
35195   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 );
35196   if (!SWIG_IsOK(res1)) {
35197     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_SetEnd" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35198    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1);
35199   res2 = SWIG_R_ConvertPtr(end, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
35200     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomBondIter_SetEnd" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
35201    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); (*arg1)->SetEnd(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
35202   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_SetParent(SEXP self,SEXP ptr)35203 SWIGEXPORT SEXP R_swig_OBAtomBondIter_SetParent ( SEXP self, SEXP ptr) {
35204   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ;
35205   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
35206   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 );
35207   if (!SWIG_IsOK(res1)) {
35208     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_SetParent" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35209    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1);
35210   res2 = SWIG_R_ConvertPtr(ptr, &argp2, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res2)) {
35211     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomBondIter_SetParent" "', argument " "2"" of type '" "OpenBabel::OBMol *""'");  }
35212    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); (*arg1)->SetParent(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
35213   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_SetLength__SWIG_0(SEXP self,SEXP fixed,SEXP length)35214 SWIGEXPORT SEXP R_swig_OBAtomBondIter_SetLength__SWIG_0 ( SEXP self, SEXP fixed, SEXP length) {
35215   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
35216   double arg3 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0;
35217   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35218   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35219     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_SetLength" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35220    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1);
35221   res2 = SWIG_R_ConvertPtr(fixed, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
35222     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomBondIter_SetLength" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
35223    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); arg3 = static_cast< double >(REAL(length)[0]);
35224   (*arg1)->SetLength(arg2,arg3); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_SetLength__SWIG_1(SEXP self,SEXP length)35225 SWIGEXPORT SEXP R_swig_OBAtomBondIter_SetLength__SWIG_1 ( SEXP self, SEXP length) {
35226   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; double arg2 ; void *argp1 = 0 ; int res1 = 0 ;
35227   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35228   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35229     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_SetLength" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35230    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); arg2 = static_cast< double >(REAL(length)[0]);
35231   (*arg1)->SetLength(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_Set(SEXP self,SEXP index,SEXP begin,SEXP end,SEXP order,SEXP flags)35232 SWIGEXPORT SEXP R_swig_OBAtomBondIter_Set ( SEXP self, SEXP index, SEXP begin, SEXP end, SEXP order, SEXP flags) {
35233   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; int arg2 ;
35234   OpenBabel::OBAtom *arg3 = (OpenBabel::OBAtom *) 0 ; OpenBabel::OBAtom *arg4 = (OpenBabel::OBAtom *) 0 ; int arg5 ; int arg6 ;
35235   void *argp1 = 0 ; int res1 = 0 ; void *argp3 = 0 ; int res3 = 0 ; void *argp4 = 0 ; int res4 = 0 ;
35236   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35237   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35238     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_Set" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35239    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); arg2 = static_cast< int >(INTEGER(index)[0]);
35240   res3 = SWIG_R_ConvertPtr(begin, &argp3, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res3)) {
35241     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBAtomBondIter_Set" "', argument " "3"" of type '" "OpenBabel::OBAtom *""'");  }
35242    arg3 = reinterpret_cast< OpenBabel::OBAtom * >(argp3);
35243   res4 = SWIG_R_ConvertPtr(end, &argp4, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res4)) {
35244     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "OBAtomBondIter_Set" "', argument " "4"" of type '" "OpenBabel::OBAtom *""'");  }
35245    arg4 = reinterpret_cast< OpenBabel::OBAtom * >(argp4); arg5 = static_cast< int >(INTEGER(order)[0]);
35246   arg6 = static_cast< int >(INTEGER(flags)[0]); (*arg1)->Set(arg2,arg3,arg4,arg5,arg6); r_ans = R_NilValue; vmaxset(r_vmax);
35247   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_SetKSingle(SEXP self)35248 SWIGEXPORT SEXP R_swig_OBAtomBondIter_SetKSingle ( SEXP self) {
35249   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35250   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35251   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35252     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_SetKSingle" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35253    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); (*arg1)->SetKSingle(); r_ans = R_NilValue; vmaxset(r_vmax);
35254   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_SetKDouble(SEXP self)35255 SWIGEXPORT SEXP R_swig_OBAtomBondIter_SetKDouble ( SEXP self) {
35256   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35257   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35258   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35259     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_SetKDouble" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35260    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); (*arg1)->SetKDouble(); r_ans = R_NilValue; vmaxset(r_vmax);
35261   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_SetKTriple(SEXP self)35262 SWIGEXPORT SEXP R_swig_OBAtomBondIter_SetKTriple ( SEXP self) {
35263   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35264   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35265   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35266     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_SetKTriple" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35267    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); (*arg1)->SetKTriple(); r_ans = R_NilValue; vmaxset(r_vmax);
35268   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_SetAromatic(SEXP self)35269 SWIGEXPORT SEXP R_swig_OBAtomBondIter_SetAromatic ( SEXP self) {
35270   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35271   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35272   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35273     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_SetAromatic" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35274    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); (*arg1)->SetAromatic(); r_ans = R_NilValue; vmaxset(r_vmax);
35275   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_SetWedge(SEXP self)35276 SWIGEXPORT SEXP R_swig_OBAtomBondIter_SetWedge ( SEXP self) {
35277   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35278   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35279   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35280     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_SetWedge" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35281    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); (*arg1)->SetWedge(); r_ans = R_NilValue; vmaxset(r_vmax);
35282   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_SetHash(SEXP self)35283 SWIGEXPORT SEXP R_swig_OBAtomBondIter_SetHash ( SEXP self) { OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ;
35284   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35285   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35286     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_SetHash" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35287    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); (*arg1)->SetHash(); r_ans = R_NilValue; vmaxset(r_vmax);
35288   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_SetWedgeOrHash(SEXP self)35289 SWIGEXPORT SEXP R_swig_OBAtomBondIter_SetWedgeOrHash ( SEXP self) {
35290   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35291   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35292   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35293     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_SetWedgeOrHash" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35294    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); (*arg1)->SetWedgeOrHash(); r_ans = R_NilValue;
35295   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_SetUp(SEXP self)35296 SWIGEXPORT SEXP R_swig_OBAtomBondIter_SetUp ( SEXP self) { OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ;
35297   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35298   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35299     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_SetUp" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35300    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); (*arg1)->SetUp(); r_ans = R_NilValue; vmaxset(r_vmax);
35301   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_SetDown(SEXP self)35302 SWIGEXPORT SEXP R_swig_OBAtomBondIter_SetDown ( SEXP self) { OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ;
35303   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35304   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35305     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_SetDown" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35306    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); (*arg1)->SetDown(); r_ans = R_NilValue; vmaxset(r_vmax);
35307   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_SetInRing__SWIG_0(SEXP self,SEXP set)35308 SWIGEXPORT SEXP R_swig_OBAtomBondIter_SetInRing__SWIG_0 ( SEXP self, SEXP set) {
35309   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
35310   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35311   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35312     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_SetInRing" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35313    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); arg2 = LOGICAL(set)[0] ? true : false;
35314   (*arg1)->SetInRing(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_SetInRing__SWIG_1(SEXP self)35315 SWIGEXPORT SEXP R_swig_OBAtomBondIter_SetInRing__SWIG_1 ( SEXP self) {
35316   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35317   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35318   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35319     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_SetInRing" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35320    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); (*arg1)->SetInRing(); r_ans = R_NilValue; vmaxset(r_vmax);
35321   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_SetClosure(SEXP self)35322 SWIGEXPORT SEXP R_swig_OBAtomBondIter_SetClosure ( SEXP self) {
35323   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35324   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35325   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35326     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_SetClosure" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35327    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); (*arg1)->SetClosure(); r_ans = R_NilValue; vmaxset(r_vmax);
35328   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_UnsetHash(SEXP self)35329 SWIGEXPORT SEXP R_swig_OBAtomBondIter_UnsetHash ( SEXP self) {
35330   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35331   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35332   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35333     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_UnsetHash" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35334    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); (*arg1)->UnsetHash(); r_ans = R_NilValue; vmaxset(r_vmax);
35335   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_UnsetWedge(SEXP self)35336 SWIGEXPORT SEXP R_swig_OBAtomBondIter_UnsetWedge ( SEXP self) {
35337   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35338   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35339   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35340     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_UnsetWedge" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35341    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); (*arg1)->UnsetWedge(); r_ans = R_NilValue; vmaxset(r_vmax);
35342   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_UnsetUp(SEXP self)35343 SWIGEXPORT SEXP R_swig_OBAtomBondIter_UnsetUp ( SEXP self) { OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ;
35344   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35345   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35346     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_UnsetUp" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35347    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); (*arg1)->UnsetUp(); r_ans = R_NilValue; vmaxset(r_vmax);
35348   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_UnsetDown(SEXP self)35349 SWIGEXPORT SEXP R_swig_OBAtomBondIter_UnsetDown ( SEXP self) {
35350   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35351   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35352   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35353     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_UnsetDown" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35354    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); (*arg1)->UnsetDown(); r_ans = R_NilValue; vmaxset(r_vmax);
35355   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_UnsetAromatic(SEXP self)35356 SWIGEXPORT SEXP R_swig_OBAtomBondIter_UnsetAromatic ( SEXP self) {
35357   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35358   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35359   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35360     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_UnsetAromatic" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35361    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); (*arg1)->UnsetAromatic(); r_ans = R_NilValue; vmaxset(r_vmax);
35362   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_UnsetKekule(SEXP self)35363 SWIGEXPORT SEXP R_swig_OBAtomBondIter_UnsetKekule ( SEXP self) {
35364   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35365   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35366   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35367     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_UnsetKekule" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35368    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); (*arg1)->UnsetKekule(); r_ans = R_NilValue; vmaxset(r_vmax);
35369   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_GetIdx(SEXP self,SEXP s_swig_copy)35370 SWIGEXPORT SEXP R_swig_OBAtomBondIter_GetIdx ( SEXP self, SEXP s_swig_copy) { unsigned int result;
35371   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35372   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35373   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35374     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_GetIdx" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter const *""'");  }
35375    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (unsigned int)(*arg1)->GetIdx();
35376   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_GetId(SEXP self,SEXP s_swig_copy)35377 SWIGEXPORT SEXP R_swig_OBAtomBondIter_GetId ( SEXP self, SEXP s_swig_copy) { unsigned long result;
35378   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35379   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35380   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35381     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_GetId" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter const *""'");  }
35382    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (unsigned long)(*arg1)->GetId();
35383   r_ans = SWIG_From_long(static_cast< long >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_GetBO(SEXP self,SEXP s_swig_copy)35384 SWIGEXPORT SEXP R_swig_OBAtomBondIter_GetBO ( SEXP self, SEXP s_swig_copy) { unsigned int result;
35385   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35386   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35387   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35388     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_GetBO" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter const *""'");  }
35389    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (unsigned int)(*arg1)->GetBO();
35390   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_GetBondOrder(SEXP self,SEXP s_swig_copy)35391 SWIGEXPORT SEXP R_swig_OBAtomBondIter_GetBondOrder ( SEXP self, SEXP s_swig_copy) { unsigned int result;
35392   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35393   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35394   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35395     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_GetBondOrder" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter const *""'");  }
35396    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (unsigned int)(*arg1)->GetBondOrder();
35397   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_GetFlags(SEXP self,SEXP s_swig_copy)35398 SWIGEXPORT SEXP R_swig_OBAtomBondIter_GetFlags ( SEXP self, SEXP s_swig_copy) { unsigned int result;
35399   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35400   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35401   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35402     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_GetFlags" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter const *""'");  }
35403    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (unsigned int)(*arg1)->GetFlags();
35404   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_GetBeginAtomIdx(SEXP self,SEXP s_swig_copy)35405 SWIGEXPORT SEXP R_swig_OBAtomBondIter_GetBeginAtomIdx ( SEXP self, SEXP s_swig_copy) { unsigned int result;
35406   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35407   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35408   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35409     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_GetBeginAtomIdx" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter const *""'");  }
35410    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (unsigned int)(*arg1)->GetBeginAtomIdx();
35411   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_GetEndAtomIdx(SEXP self,SEXP s_swig_copy)35412 SWIGEXPORT SEXP R_swig_OBAtomBondIter_GetEndAtomIdx ( SEXP self, SEXP s_swig_copy) { unsigned int result;
35413   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35414   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35415   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35416     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_GetEndAtomIdx" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter const *""'");  }
35417    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (unsigned int)(*arg1)->GetEndAtomIdx();
35418   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_GetBeginAtom(SEXP self)35419 SWIGEXPORT SEXP R_swig_OBAtomBondIter_GetBeginAtom ( SEXP self) { OpenBabel::OBAtom *result = 0 ;
35420   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35421   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35422   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35423     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_GetBeginAtom" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35424    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (OpenBabel::OBAtom *)(*arg1)->GetBeginAtom();
35425   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
35426   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_GetEndAtom(SEXP self)35427 SWIGEXPORT SEXP R_swig_OBAtomBondIter_GetEndAtom ( SEXP self) { OpenBabel::OBAtom *result = 0 ;
35428   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35429   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35430   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35431     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_GetEndAtom" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35432    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (OpenBabel::OBAtom *)(*arg1)->GetEndAtom();
35433   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
35434   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_GetNbrAtom(SEXP self,SEXP ptr)35435 SWIGEXPORT SEXP R_swig_OBAtomBondIter_GetNbrAtom ( SEXP self, SEXP ptr) { OpenBabel::OBAtom *result = 0 ;
35436   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
35437   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
35438   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 );
35439   if (!SWIG_IsOK(res1)) {
35440     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_GetNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35441    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1);
35442   res2 = SWIG_R_ConvertPtr(ptr, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
35443     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomBondIter_GetNbrAtom" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
35444    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (OpenBabel::OBAtom *)(*arg1)->GetNbrAtom(arg2);
35445   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
35446   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_GetParent(SEXP self)35447 SWIGEXPORT SEXP R_swig_OBAtomBondIter_GetParent ( SEXP self) { OpenBabel::OBMol *result = 0 ;
35448   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35449   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35450   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35451     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_GetParent" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35452    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (OpenBabel::OBMol *)(*arg1)->GetParent();
35453   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMol, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
35454   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_GetEquibLength(SEXP self,SEXP s_swig_copy)35455 SWIGEXPORT SEXP R_swig_OBAtomBondIter_GetEquibLength ( SEXP self, SEXP s_swig_copy) { double result;
35456   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35457   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35458   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35459     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_GetEquibLength" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter const *""'");  }
35460    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (double)(*arg1)->GetEquibLength();
35461   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
35462   return r_ans; }
R_swig_OBAtomBondIter_GetLength(SEXP self,SEXP s_swig_copy)35463 SWIGEXPORT SEXP R_swig_OBAtomBondIter_GetLength ( SEXP self, SEXP s_swig_copy) { double result;
35464   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35465   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35466   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35467     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_GetLength" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter const *""'");  }
35468    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (double)(*arg1)->GetLength();
35469   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
35470   return r_ans; }
R_swig_OBAtomBondIter_GetNbrAtomIdx(SEXP self,SEXP ptr,SEXP s_swig_copy)35471 SWIGEXPORT SEXP R_swig_OBAtomBondIter_GetNbrAtomIdx ( SEXP self, SEXP ptr, SEXP s_swig_copy) { unsigned int result;
35472   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
35473   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
35474   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 );
35475   if (!SWIG_IsOK(res1)) {
35476     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_GetNbrAtomIdx" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35477    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1);
35478   res2 = SWIG_R_ConvertPtr(ptr, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
35479     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomBondIter_GetNbrAtomIdx" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
35480    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (unsigned int)(*arg1)->GetNbrAtomIdx(arg2);
35481   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_FindSmallestRing(SEXP self)35482 SWIGEXPORT SEXP R_swig_OBAtomBondIter_FindSmallestRing ( SEXP self) { OpenBabel::OBRing *result = 0 ;
35483   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35484   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35485   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35486     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_FindSmallestRing" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter const *""'");  }
35487    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (OpenBabel::OBRing *)(*arg1)->FindSmallestRing();
35488   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBRing, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
35489   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_IsAromatic(SEXP self,SEXP s_swig_copy)35490 SWIGEXPORT SEXP R_swig_OBAtomBondIter_IsAromatic ( SEXP self, SEXP s_swig_copy) { bool result;
35491   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35492   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35493   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35494     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_IsAromatic" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter const *""'");  }
35495    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (bool)(*arg1)->IsAromatic();
35496   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_IsInRing(SEXP self,SEXP s_swig_copy)35497 SWIGEXPORT SEXP R_swig_OBAtomBondIter_IsInRing ( SEXP self, SEXP s_swig_copy) { bool result;
35498   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35499   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35500   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35501     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_IsInRing" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter const *""'");  }
35502    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (bool)(*arg1)->IsInRing();
35503   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_IsRotor(SEXP self,SEXP s_swig_copy)35504 SWIGEXPORT SEXP R_swig_OBAtomBondIter_IsRotor ( SEXP self, SEXP s_swig_copy) { bool result;
35505   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35506   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35507   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35508     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_IsRotor" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35509    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (bool)(*arg1)->IsRotor();
35510   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_IsAmide(SEXP self,SEXP s_swig_copy)35511 SWIGEXPORT SEXP R_swig_OBAtomBondIter_IsAmide ( SEXP self, SEXP s_swig_copy) { bool result;
35512   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35513   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35514   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35515     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_IsAmide" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35516    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (bool)(*arg1)->IsAmide();
35517   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_IsPrimaryAmide(SEXP self,SEXP s_swig_copy)35518 SWIGEXPORT SEXP R_swig_OBAtomBondIter_IsPrimaryAmide ( SEXP self, SEXP s_swig_copy) { bool result;
35519   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35520   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35521   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35522     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_IsPrimaryAmide" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35523    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (bool)(*arg1)->IsPrimaryAmide();
35524   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_IsSecondaryAmide(SEXP self,SEXP s_swig_copy)35525 SWIGEXPORT SEXP R_swig_OBAtomBondIter_IsSecondaryAmide ( SEXP self, SEXP s_swig_copy) { bool result;
35526   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35527   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35528   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35529     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_IsSecondaryAmide" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35530    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (bool)(*arg1)->IsSecondaryAmide();
35531   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_IsTertiaryAmide(SEXP self,SEXP s_swig_copy)35532 SWIGEXPORT SEXP R_swig_OBAtomBondIter_IsTertiaryAmide ( SEXP self, SEXP s_swig_copy) { bool result;
35533   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35534   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35535   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35536     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_IsTertiaryAmide" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35537    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (bool)(*arg1)->IsTertiaryAmide();
35538   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_IsAmidine(SEXP self,SEXP s_swig_copy)35539 SWIGEXPORT SEXP R_swig_OBAtomBondIter_IsAmidine ( SEXP self, SEXP s_swig_copy) { bool result;
35540   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35541   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35542   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35543     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_IsAmidine" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35544    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (bool)(*arg1)->IsAmidine();
35545   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_IsEster(SEXP self,SEXP s_swig_copy)35546 SWIGEXPORT SEXP R_swig_OBAtomBondIter_IsEster ( SEXP self, SEXP s_swig_copy) { bool result;
35547   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35548   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35549   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35550     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_IsEster" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35551    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (bool)(*arg1)->IsEster();
35552   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_IsCarbonyl(SEXP self,SEXP s_swig_copy)35553 SWIGEXPORT SEXP R_swig_OBAtomBondIter_IsCarbonyl ( SEXP self, SEXP s_swig_copy) { bool result;
35554   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35555   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35556   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35557     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_IsCarbonyl" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35558    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (bool)(*arg1)->IsCarbonyl();
35559   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_IsImide(SEXP self,SEXP s_swig_copy)35560 SWIGEXPORT SEXP R_swig_OBAtomBondIter_IsImide ( SEXP self, SEXP s_swig_copy) { bool result;
35561   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35562   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35563   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35564     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_IsImide" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35565    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (bool)(*arg1)->IsImide();
35566   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_IsSingle(SEXP self,SEXP s_swig_copy)35567 SWIGEXPORT SEXP R_swig_OBAtomBondIter_IsSingle ( SEXP self, SEXP s_swig_copy) { bool result;
35568   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35569   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35570   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35571     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_IsSingle" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35572    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (bool)(*arg1)->IsSingle();
35573   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_IsDouble(SEXP self,SEXP s_swig_copy)35574 SWIGEXPORT SEXP R_swig_OBAtomBondIter_IsDouble ( SEXP self, SEXP s_swig_copy) { bool result;
35575   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35576   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35577   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35578     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_IsDouble" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35579    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (bool)(*arg1)->IsDouble();
35580   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_IsTriple(SEXP self,SEXP s_swig_copy)35581 SWIGEXPORT SEXP R_swig_OBAtomBondIter_IsTriple ( SEXP self, SEXP s_swig_copy) { bool result;
35582   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35583   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35584   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35585     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_IsTriple" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35586    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (bool)(*arg1)->IsTriple();
35587   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_IsKSingle(SEXP self,SEXP s_swig_copy)35588 SWIGEXPORT SEXP R_swig_OBAtomBondIter_IsKSingle ( SEXP self, SEXP s_swig_copy) { bool result;
35589   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35590   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35591   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35592     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_IsKSingle" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35593    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (bool)(*arg1)->IsKSingle();
35594   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_IsKDouble(SEXP self,SEXP s_swig_copy)35595 SWIGEXPORT SEXP R_swig_OBAtomBondIter_IsKDouble ( SEXP self, SEXP s_swig_copy) { bool result;
35596   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35597   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35598   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35599     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_IsKDouble" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35600    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (bool)(*arg1)->IsKDouble();
35601   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_IsKTriple(SEXP self,SEXP s_swig_copy)35602 SWIGEXPORT SEXP R_swig_OBAtomBondIter_IsKTriple ( SEXP self, SEXP s_swig_copy) { bool result;
35603   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35604   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35605   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35606     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_IsKTriple" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35607    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (bool)(*arg1)->IsKTriple();
35608   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_IsClosure(SEXP self,SEXP s_swig_copy)35609 SWIGEXPORT SEXP R_swig_OBAtomBondIter_IsClosure ( SEXP self, SEXP s_swig_copy) { bool result;
35610   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35611   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35612   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35613     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_IsClosure" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35614    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (bool)(*arg1)->IsClosure();
35615   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_IsUp(SEXP self,SEXP s_swig_copy)35616 SWIGEXPORT SEXP R_swig_OBAtomBondIter_IsUp ( SEXP self, SEXP s_swig_copy) { bool result;
35617   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35618   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35619   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35620     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_IsUp" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35621    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (bool)(*arg1)->IsUp();
35622   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_IsDown(SEXP self,SEXP s_swig_copy)35623 SWIGEXPORT SEXP R_swig_OBAtomBondIter_IsDown ( SEXP self, SEXP s_swig_copy) { bool result;
35624   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35625   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35626   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35627     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_IsDown" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35628    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (bool)(*arg1)->IsDown();
35629   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_IsWedge(SEXP self,SEXP s_swig_copy)35630 SWIGEXPORT SEXP R_swig_OBAtomBondIter_IsWedge ( SEXP self, SEXP s_swig_copy) { bool result;
35631   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35632   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35633   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35634     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_IsWedge" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35635    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (bool)(*arg1)->IsWedge();
35636   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_IsHash(SEXP self,SEXP s_swig_copy)35637 SWIGEXPORT SEXP R_swig_OBAtomBondIter_IsHash ( SEXP self, SEXP s_swig_copy) { bool result;
35638   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35639   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35640   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35641     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_IsHash" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35642    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (bool)(*arg1)->IsHash();
35643   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_IsWedgeOrHash(SEXP self,SEXP s_swig_copy)35644 SWIGEXPORT SEXP R_swig_OBAtomBondIter_IsWedgeOrHash ( SEXP self, SEXP s_swig_copy) { bool result;
35645   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35646   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35647   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35648     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_IsWedgeOrHash" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter const *""'");  }
35649    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (bool)(*arg1)->IsWedgeOrHash();
35650   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_IsCisOrTrans(SEXP self,SEXP s_swig_copy)35651 SWIGEXPORT SEXP R_swig_OBAtomBondIter_IsCisOrTrans ( SEXP self, SEXP s_swig_copy) { bool result;
35652   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35653   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35654   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35655     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_IsCisOrTrans" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter const *""'");  }
35656    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (bool)(*arg1)->IsCisOrTrans();
35657   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_IsDoubleBondGeometry(SEXP self,SEXP s_swig_copy)35658 SWIGEXPORT SEXP R_swig_OBAtomBondIter_IsDoubleBondGeometry ( SEXP self, SEXP s_swig_copy) { bool result;
35659   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35660   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35661   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35662     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_IsDoubleBondGeometry" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35663    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (bool)(*arg1)->IsDoubleBondGeometry();
35664   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_Clear(SEXP self,SEXP s_swig_copy)35665 SWIGEXPORT SEXP R_swig_OBAtomBondIter_Clear ( SEXP self, SEXP s_swig_copy) { bool result;
35666   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35667   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35668   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35669     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_Clear" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35670    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (bool)(*arg1)->Clear();
35671   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_DoTransformations(SEXP self,SEXP s_arg2,SEXP s_arg3)35672 SWIGEXPORT SEXP R_swig_OBAtomBondIter_DoTransformations ( SEXP self, SEXP s_arg2, SEXP s_arg3) { OpenBabel::OBBase *result = 0 ;
35673   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ;
35674   std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > *arg2 = (std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > *) 0 ;
35675   OpenBabel::OBConversion *arg3 = (OpenBabel::OBConversion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
35676   int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
35677   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 );
35678   if (!SWIG_IsOK(res1)) {
35679     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_DoTransformations" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35680    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1);
35681   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_std__mapT_std__string_std__string_std__lessT_std__string_t_std__allocatorT_std__pairT_std__string_const_std__string_t_t_t, 0 |  0 );
35682   if (!SWIG_IsOK(res2)) {
35683     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomBondIter_DoTransformations" "', argument " "2"" of type '" "std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > const *""'");  }
35684 
35685   arg2 = reinterpret_cast< std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > * >(argp2);
35686   res3 = SWIG_R_ConvertPtr(s_arg3, &argp3, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res3)) {
35687     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBAtomBondIter_DoTransformations" "', argument " "3"" of type '" "OpenBabel::OBConversion *""'");  }
35688    arg3 = reinterpret_cast< OpenBabel::OBConversion * >(argp3);
35689   result = (OpenBabel::OBBase *)(*arg1)->DoTransformations((std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > const *)arg2,arg3);
35690   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBase, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
35691   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_ClassDescription(SEXP self)35692 SWIGEXPORT SEXP R_swig_OBAtomBondIter_ClassDescription ( SEXP self) { char *result = 0 ;
35693   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35694   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35695   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35696     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_ClassDescription" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35697    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (char *)(*arg1)->ClassDescription();
35698   r_ans = SWIG_FromCharPtr((const char *)result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_GetTitle__SWIG_0(SEXP self,SEXP replaceNewlines)35699 SWIGEXPORT SEXP R_swig_OBAtomBondIter_GetTitle__SWIG_0 ( SEXP self, SEXP replaceNewlines) { char *result = 0 ;
35700   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
35701   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35702   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35703     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_GetTitle" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter const *""'");  }
35704    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); arg2 = LOGICAL(replaceNewlines)[0] ? true : false;
35705   result = (char *)(*arg1)->GetTitle(arg2); r_ans = SWIG_FromCharPtr((const char *)result); vmaxset(r_vmax);
35706   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_GetTitle__SWIG_1(SEXP self)35707 SWIGEXPORT SEXP R_swig_OBAtomBondIter_GetTitle__SWIG_1 ( SEXP self) { char *result = 0 ;
35708   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35709   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35710   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35711     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_GetTitle" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter const *""'");  }
35712    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (char *)(*arg1)->GetTitle();
35713   r_ans = SWIG_FromCharPtr((const char *)result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_SetTitle(SEXP self,SEXP s_arg2)35714 SWIGEXPORT SEXP R_swig_OBAtomBondIter_SetTitle ( SEXP self, SEXP s_arg2) {
35715   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; char *arg2 = (char *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35716   int res2 ; char *buf2 = 0 ; int alloc2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
35717   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 );
35718   if (!SWIG_IsOK(res1)) {
35719     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_SetTitle" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35720    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); res2 = SWIG_AsCharPtrAndSize(s_arg2, &buf2, NULL, &alloc2);
35721   if (!SWIG_IsOK(res2)) {
35722     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomBondIter_SetTitle" "', argument " "2"" of type '" "char const *""'"); }
35723    arg2 = reinterpret_cast< char * >(buf2); (*arg1)->SetTitle((char const *)arg2); r_ans = R_NilValue;
35724   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_HasData__SWIG_0(SEXP self,SEXP s_arg2,SEXP s_swig_copy)35725 SWIGEXPORT SEXP R_swig_OBAtomBondIter_HasData__SWIG_0 ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
35726   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
35727   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35728   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35729     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_HasData" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35730    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); { std::string *ptr = (std::string *)0;
35731     res2 = SWIG_AsPtr_std_string(s_arg2, &ptr); if (!SWIG_IsOK(res2)) {
35732       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomBondIter_HasData" "', argument " "2"" of type '" "std::string const &""'"); }
35733      if (!ptr) {
35734       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtomBondIter_HasData" "', argument " "2"" of type '" "std::string const &""'"); }
35735      arg2 = ptr; }  result = (bool)(*arg1)->HasData((std::string const &)*arg2); r_ans = Rf_ScalarLogical(result);
35736   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_HasData__SWIG_1(SEXP self,SEXP type,SEXP s_swig_copy)35737 SWIGEXPORT SEXP R_swig_OBAtomBondIter_HasData__SWIG_1 ( SEXP self, SEXP type, SEXP s_swig_copy) { bool result;
35738   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
35739   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35740   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35741     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_HasData" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35742    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); ecode2 = SWIG_AsVal_int(type, &val2);
35743   if (!SWIG_IsOK(ecode2)) {
35744     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBAtomBondIter_HasData" "', argument " "2"" of type '" "unsigned int""'"); }
35745     arg2 = static_cast< unsigned int >(val2); result = (bool)(*arg1)->HasData(arg2); r_ans = Rf_ScalarLogical(result);
35746   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_DeleteData__SWIG_0(SEXP self,SEXP type)35747 SWIGEXPORT SEXP R_swig_OBAtomBondIter_DeleteData__SWIG_0 ( SEXP self, SEXP type) {
35748   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
35749   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35750   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35751     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_DeleteData" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35752    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); ecode2 = SWIG_AsVal_int(type, &val2);
35753   if (!SWIG_IsOK(ecode2)) {
35754     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBAtomBondIter_DeleteData" "', argument " "2"" of type '" "unsigned int""'"); }
35755     arg2 = static_cast< unsigned int >(val2); (*arg1)->DeleteData(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
35756   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_DeleteData__SWIG_1(SEXP self,SEXP s_arg2)35757 SWIGEXPORT SEXP R_swig_OBAtomBondIter_DeleteData__SWIG_1 ( SEXP self, SEXP s_arg2) {
35758   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ;
35759   OpenBabel::OBGenericData *arg2 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
35760   int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35761   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35762     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_DeleteData" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35763    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1);
35764   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res2)) {
35765     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomBondIter_DeleteData" "', argument " "2"" of type '" "OpenBabel::OBGenericData *""'");  }
35766    arg2 = reinterpret_cast< OpenBabel::OBGenericData * >(argp2); (*arg1)->DeleteData(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
35767   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_DeleteData__SWIG_2(SEXP self,SEXP s_arg2)35768 SWIGEXPORT SEXP R_swig_OBAtomBondIter_DeleteData__SWIG_2 ( SEXP self, SEXP s_arg2) {
35769   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ;
35770   std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > *arg2 = 0 ; void *argp1 = 0 ;
35771   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
35772   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 );
35773   if (!SWIG_IsOK(res1)) {
35774     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_DeleteData" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35775    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1);
35776   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t,  0 );
35777   if (!SWIG_IsOK(res2)) {
35778     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomBondIter_DeleteData" "', argument " "2"" of type '" "std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > &""'");  }
35779    if (!argp2) {
35780     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtomBondIter_DeleteData" "', argument " "2"" of type '" "std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > &""'"); }
35781    arg2 = reinterpret_cast< std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > * >(argp2);
35782   (*arg1)->DeleteData(*arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_DeleteData__SWIG_3(SEXP self,SEXP s,SEXP s_swig_copy)35783 SWIGEXPORT SEXP R_swig_OBAtomBondIter_DeleteData__SWIG_3 ( SEXP self, SEXP s, SEXP s_swig_copy) { bool result;
35784   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
35785   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35786   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35787     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_DeleteData" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35788    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); { std::string *ptr = (std::string *)0;
35789     res2 = SWIG_AsPtr_std_string(s, &ptr); if (!SWIG_IsOK(res2)) {
35790       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomBondIter_DeleteData" "', argument " "2"" of type '" "std::string const &""'"); }
35791      if (!ptr) {
35792       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtomBondIter_DeleteData" "', argument " "2"" of type '" "std::string const &""'"); }
35793      arg2 = ptr; }  result = (bool)(*arg1)->DeleteData((std::string const &)*arg2); r_ans = Rf_ScalarLogical(result);
35794   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_CloneData(SEXP self,SEXP d)35795 SWIGEXPORT SEXP R_swig_OBAtomBondIter_CloneData ( SEXP self, SEXP d) {
35796   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ;
35797   OpenBabel::OBGenericData *arg2 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
35798   int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35799   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35800     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_CloneData" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35801    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1);
35802   res2 = SWIG_R_ConvertPtr(d, &argp2, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res2)) {
35803     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomBondIter_CloneData" "', argument " "2"" of type '" "OpenBabel::OBGenericData *""'");  }
35804    arg2 = reinterpret_cast< OpenBabel::OBGenericData * >(argp2); (*arg1)->CloneData(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
35805   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_DataSize(SEXP self,SEXP s_swig_copy)35806 SWIGEXPORT SEXP R_swig_OBAtomBondIter_DataSize ( SEXP self, SEXP s_swig_copy) { size_t result;
35807   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35808   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35809   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35810     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_DataSize" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter const *""'");  }
35811    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (*arg1)->DataSize();
35812   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_GetData__SWIG_0(SEXP self,SEXP type)35813 SWIGEXPORT SEXP R_swig_OBAtomBondIter_GetData__SWIG_0 ( SEXP self, SEXP type) { OpenBabel::OBGenericData *result = 0 ;
35814   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
35815   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35816   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35817     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_GetData" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35818    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); ecode2 = SWIG_AsVal_int(type, &val2);
35819   if (!SWIG_IsOK(ecode2)) {
35820     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBAtomBondIter_GetData" "', argument " "2"" of type '" "unsigned int""'"); }
35821     arg2 = static_cast< unsigned int >(val2); result = (OpenBabel::OBGenericData *)(*arg1)->GetData(arg2);
35822   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGenericData, R_SWIG_EXTERNAL |  0 );
35823   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_GetData__SWIG_1(SEXP self,SEXP s_arg2)35824 SWIGEXPORT SEXP R_swig_OBAtomBondIter_GetData__SWIG_1 ( SEXP self, SEXP s_arg2) { OpenBabel::OBGenericData *result = 0 ;
35825   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
35826   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35827   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35828     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_GetData" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35829    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); { std::string *ptr = (std::string *)0;
35830     res2 = SWIG_AsPtr_std_string(s_arg2, &ptr); if (!SWIG_IsOK(res2)) {
35831       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBAtomBondIter_GetData" "', argument " "2"" of type '" "std::string const &""'"); }
35832      if (!ptr) {
35833       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBAtomBondIter_GetData" "', argument " "2"" of type '" "std::string const &""'"); }
35834      arg2 = ptr; }  result = (OpenBabel::OBGenericData *)(*arg1)->GetData((std::string const &)*arg2);
35835   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGenericData, R_SWIG_EXTERNAL |  0 );
35836   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_GetData__SWIG_2(SEXP self,SEXP s_swig_copy)35837 SWIGEXPORT SEXP R_swig_OBAtomBondIter_GetData__SWIG_2 ( SEXP self, SEXP s_swig_copy) {
35838   std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > *result = 0 ;
35839   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35840   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35841   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35842     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_GetData" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35843    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1);
35844   result = (std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > *) &(*arg1)->GetData();
35845   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t, R_SWIG_EXTERNAL |  0 );
35846   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_GetData__SWIG_3(SEXP self,SEXP source,SEXP s_swig_copy)35847 SWIGEXPORT SEXP R_swig_OBAtomBondIter_GetData__SWIG_3 ( SEXP self, SEXP source, SEXP s_swig_copy) {
35848   std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > result;
35849   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; OpenBabel::DataOrigin arg2 ; void *argp1 = 0 ;
35850   int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
35851   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 );
35852   if (!SWIG_IsOK(res1)) {
35853     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_GetData" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35854    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); ecode2 = SWIG_AsVal_int(source, &val2);
35855   if (!SWIG_IsOK(ecode2)) {
35856     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBAtomBondIter_GetData" "', argument " "2"" of type '" "OpenBabel::DataOrigin""'"); }
35857     arg2 = static_cast< OpenBabel::DataOrigin >(val2); result = (*arg1)->GetData(arg2);
35858   r_ans = swig::from(static_cast< std::vector<OpenBabel::OBGenericData*,std::allocator< OpenBabel::OBGenericData * > > >(result));
35859   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_GetAllData(SEXP self,SEXP type,SEXP s_swig_copy)35860 SWIGEXPORT SEXP R_swig_OBAtomBondIter_GetAllData ( SEXP self, SEXP type, SEXP s_swig_copy) {
35861   std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > result;
35862   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
35863   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35864   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35865     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_GetAllData" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35866    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); ecode2 = SWIG_AsVal_int(type, &val2);
35867   if (!SWIG_IsOK(ecode2)) {
35868     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBAtomBondIter_GetAllData" "', argument " "2"" of type '" "unsigned int""'"); }
35869     arg2 = static_cast< unsigned int >(val2); result = (*arg1)->GetAllData(arg2);
35870   r_ans = swig::from(static_cast< std::vector<OpenBabel::OBGenericData*,std::allocator< OpenBabel::OBGenericData * > > >(result));
35871   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_BeginData(SEXP self,SEXP s_swig_copy)35872 SWIGEXPORT SEXP R_swig_OBAtomBondIter_BeginData ( SEXP self, SEXP s_swig_copy) {
35873   SwigValueWrapper< std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > >::iterator > result;
35874   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35875   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35876   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35877     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_BeginData" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35878    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (*arg1)->BeginData();
35879   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBDataIterator(static_cast< const OpenBabel::OBDataIterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
35880   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBAtomBondIter_EndData(SEXP self,SEXP s_swig_copy)35881 SWIGEXPORT SEXP R_swig_OBAtomBondIter_EndData ( SEXP self, SEXP s_swig_copy) {
35882   SwigValueWrapper< std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > >::iterator > result;
35883   OpenBabel::OBAtomBondIter *arg1 = (OpenBabel::OBAtomBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35884   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35885   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBAtomBondIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35886     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBAtomBondIter_EndData" "', argument " "1"" of type '" "OpenBabel::OBAtomBondIter *""'");  }
35887    arg1 = reinterpret_cast< OpenBabel::OBAtomBondIter * >(argp1); result = (*arg1)->EndData();
35888   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBDataIterator(static_cast< const OpenBabel::OBDataIterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
35889   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBResidueIter__SWIG_0()35890 SWIGEXPORT SEXP R_swig_new_OBResidueIter__SWIG_0 ( ) { OpenBabel::OBResidueIter *result = 0 ; unsigned int r_nprotect = 0;
35891   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBResidueIter *)new OpenBabel::OBResidueIter();
35892   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBResidueIter, R_SWIG_OWNER |  0 );
35893   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBResidueIter__SWIG_1(SEXP mol)35894 SWIGEXPORT SEXP R_swig_new_OBResidueIter__SWIG_1 ( SEXP mol) { OpenBabel::OBResidueIter *result = 0 ;
35895   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
35896   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35897   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35898     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBResidueIter" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
35899    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
35900   result = (OpenBabel::OBResidueIter *)new OpenBabel::OBResidueIter(arg1);
35901   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBResidueIter, R_SWIG_OWNER |  0 );
35902   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBResidueIter__SWIG_2(SEXP ri)35903 SWIGEXPORT SEXP R_swig_new_OBResidueIter__SWIG_2 ( SEXP ri) { OpenBabel::OBResidueIter *result = 0 ;
35904   OpenBabel::OBResidueIter *arg1 = 0 ; void *argp1 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
35905   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(ri, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter,  0 );
35906   if (!SWIG_IsOK(res1)) {
35907     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBResidueIter" "', argument " "1"" of type '" "OpenBabel::OBResidueIter const &""'");  }
35908    if (!argp1) {
35909     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBResidueIter" "', argument " "1"" of type '" "OpenBabel::OBResidueIter const &""'"); }
35910    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1);
35911   result = (OpenBabel::OBResidueIter *)new OpenBabel::OBResidueIter((OpenBabel::OBResidueIter const &)*arg1);
35912   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBResidueIter, R_SWIG_OWNER |  0 );
35913   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBResidueIter(SEXP self)35914 SWIGEXPORT SEXP R_swig_delete_OBResidueIter ( SEXP self) { OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ;
35915   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35916   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, SWIG_POINTER_DISOWN |  0 );
35917   if (!SWIG_IsOK(res1)) {
35918     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBResidueIter" "', argument " "1"" of type '" "OpenBabel::OBResidueIter *""'");  }
35919    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
35920   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBResidueIter_HasMore(SEXP self,SEXP s_swig_copy)35921 SWIGEXPORT SEXP R_swig_OBResidueIter_HasMore ( SEXP self, SEXP s_swig_copy) { bool result;
35922   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35923   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35924   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35925     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_HasMore" "', argument " "1"" of type '" "OpenBabel::OBResidueIter const *""'");  }
35926    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1);
35927   result = (bool)((OpenBabel::OBResidueIter const *)arg1)->operator bool(); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
35928   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_inc__SWIG_0(SEXP self,SEXP s_swig_copy)35929 SWIGEXPORT SEXP R_swig_OBResidueIter_inc__SWIG_0 ( SEXP self, SEXP s_swig_copy) { OpenBabel::OBResidueIter *result = 0 ;
35930   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35931   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35932   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35933     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_inc" "', argument " "1"" of type '" "OpenBabel::OBResidueIter *""'");  }
35934    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); result = (OpenBabel::OBResidueIter *) &(arg1)->operator ++();
35935   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBResidueIter, R_SWIG_EXTERNAL |  0 );
35936   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_inc__SWIG_1(SEXP self,SEXP s_arg2,SEXP s_swig_copy)35937 SWIGEXPORT SEXP R_swig_OBResidueIter_inc__SWIG_1 ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { OpenBabel::OBResidueIter result;
35938   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
35939   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35940   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35941     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_inc" "', argument " "1"" of type '" "OpenBabel::OBResidueIter *""'");  }
35942    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
35943   result = (arg1)->operator ++(arg2);
35944   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBResidueIter(static_cast< const OpenBabel::OBResidueIter& >(result))), SWIGTYPE_p_OpenBabel__OBResidueIter, SWIG_POINTER_OWN |  0 );
35945   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter___deref__(SEXP self)35946 SWIGEXPORT SEXP R_swig_OBResidueIter___deref__ ( SEXP self) { OpenBabel::OBResidue *result = 0 ;
35947   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35948   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35949   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35950     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter___deref__" "', argument " "1"" of type '" "OpenBabel::OBResidueIter const *""'");  }
35951    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1);
35952   result = (OpenBabel::OBResidue *)((OpenBabel::OBResidueIter const *)arg1)->operator ->();
35953   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBResidue, R_SWIG_EXTERNAL |  0 );
35954   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter___ref__(SEXP self,SEXP s_swig_copy)35955 SWIGEXPORT SEXP R_swig_OBResidueIter___ref__ ( SEXP self, SEXP s_swig_copy) { OpenBabel::OBResidue *result = 0 ;
35956   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
35957   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
35958   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
35959     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter___ref__" "', argument " "1"" of type '" "OpenBabel::OBResidueIter const *""'");  }
35960    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1);
35961   result = (OpenBabel::OBResidue *) &((OpenBabel::OBResidueIter const *)arg1)->operator *();
35962   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBResidue, R_SWIG_EXTERNAL |  0 );
35963   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_AddAtom(SEXP self,SEXP atom)35964 SWIGEXPORT SEXP R_swig_OBResidueIter_AddAtom ( SEXP self, SEXP atom) {
35965   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
35966   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
35967   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 );
35968   if (!SWIG_IsOK(res1)) {
35969     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_AddAtom" "', argument " "1"" of type '" "OpenBabel::OBResidueIter *""'");  }
35970    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1);
35971   res2 = SWIG_R_ConvertPtr(atom, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
35972     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueIter_AddAtom" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
35973    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); (*arg1)->AddAtom(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
35974   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_InsertAtom(SEXP self,SEXP atom)35975 SWIGEXPORT SEXP R_swig_OBResidueIter_InsertAtom ( SEXP self, SEXP atom) {
35976   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
35977   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
35978   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 );
35979   if (!SWIG_IsOK(res1)) {
35980     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_InsertAtom" "', argument " "1"" of type '" "OpenBabel::OBResidueIter *""'");  }
35981    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1);
35982   res2 = SWIG_R_ConvertPtr(atom, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
35983     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueIter_InsertAtom" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
35984    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); (*arg1)->InsertAtom(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
35985   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_RemoveAtom(SEXP self,SEXP atom)35986 SWIGEXPORT SEXP R_swig_OBResidueIter_RemoveAtom ( SEXP self, SEXP atom) {
35987   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
35988   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
35989   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 );
35990   if (!SWIG_IsOK(res1)) {
35991     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_RemoveAtom" "', argument " "1"" of type '" "OpenBabel::OBResidueIter *""'");  }
35992    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1);
35993   res2 = SWIG_R_ConvertPtr(atom, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
35994     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueIter_RemoveAtom" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
35995    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); (*arg1)->RemoveAtom(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
35996   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_SetName(SEXP self,SEXP resname)35997 SWIGEXPORT SEXP R_swig_OBResidueIter_SetName ( SEXP self, SEXP resname) {
35998   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
35999   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36000   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36001     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_SetName" "', argument " "1"" of type '" "OpenBabel::OBResidueIter *""'");  }
36002    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); { std::string *ptr = (std::string *)0;
36003     res2 = SWIG_AsPtr_std_string(resname, &ptr); if (!SWIG_IsOK(res2)) {
36004       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueIter_SetName" "', argument " "2"" of type '" "std::string const &""'"); }
36005      if (!ptr) {
36006       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueIter_SetName" "', argument " "2"" of type '" "std::string const &""'"); }
36007      arg2 = ptr; }  (*arg1)->SetName((std::string const &)*arg2); r_ans = R_NilValue; if (SWIG_IsNewObj(res2)) delete arg2;
36008   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_SetNum__SWIG_0(SEXP self,SEXP resnum)36009 SWIGEXPORT SEXP R_swig_OBResidueIter_SetNum__SWIG_0 ( SEXP self, SEXP resnum) {
36010   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
36011   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36012   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36013     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_SetNum" "', argument " "1"" of type '" "OpenBabel::OBResidueIter *""'");  }
36014    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); ecode2 = SWIG_AsVal_int(resnum, &val2);
36015   if (!SWIG_IsOK(ecode2)) {
36016     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBResidueIter_SetNum" "', argument " "2"" of type '" "unsigned int""'"); }
36017     arg2 = static_cast< unsigned int >(val2); (*arg1)->SetNum(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
36018   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_SetNum__SWIG_1(SEXP self,SEXP resnum)36019 SWIGEXPORT SEXP R_swig_OBResidueIter_SetNum__SWIG_1 ( SEXP self, SEXP resnum) {
36020   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; std::string arg2 ; void *argp1 = 0 ; int res1 = 0 ;
36021   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36022   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36023     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_SetNum" "', argument " "1"" of type '" "OpenBabel::OBResidueIter *""'");  }
36024    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); { std::string *ptr = (std::string *)0;
36025     int res = SWIG_AsPtr_std_string(resnum, &ptr); if (!SWIG_IsOK(res) || !ptr) {
36026       SWIG_exception_fail(SWIG_ArgError((ptr ? res : SWIG_TypeError)), "in method '" "OBResidueIter_SetNum" "', argument " "2"" of type '" "std::string const""'");  }
36027      arg2 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; }  (*arg1)->SetNum(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
36028   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_SetChain(SEXP self,SEXP chain)36029 SWIGEXPORT SEXP R_swig_OBResidueIter_SetChain ( SEXP self, SEXP chain) {
36030   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; char arg2 ; void *argp1 = 0 ; int res1 = 0 ;
36031   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36032   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36033     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_SetChain" "', argument " "1"" of type '" "OpenBabel::OBResidueIter *""'");  }
36034    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); arg2 = static_cast< char >(CHAR(STRING_ELT(chain, 0))[0]);
36035   (*arg1)->SetChain(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_SetChainNum(SEXP self,SEXP chainnum)36036 SWIGEXPORT SEXP R_swig_OBResidueIter_SetChainNum ( SEXP self, SEXP chainnum) {
36037   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
36038   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36039   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36040     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_SetChainNum" "', argument " "1"" of type '" "OpenBabel::OBResidueIter *""'");  }
36041    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); ecode2 = SWIG_AsVal_int(chainnum, &val2);
36042   if (!SWIG_IsOK(ecode2)) {
36043     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBResidueIter_SetChainNum" "', argument " "2"" of type '" "unsigned int""'"); }
36044     arg2 = static_cast< unsigned int >(val2); (*arg1)->SetChainNum(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
36045   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_SetIdx(SEXP self,SEXP idx)36046 SWIGEXPORT SEXP R_swig_OBResidueIter_SetIdx ( SEXP self, SEXP idx) {
36047   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
36048   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36049   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36050     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_SetIdx" "', argument " "1"" of type '" "OpenBabel::OBResidueIter *""'");  }
36051    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); ecode2 = SWIG_AsVal_int(idx, &val2); if (!SWIG_IsOK(ecode2)) {
36052     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBResidueIter_SetIdx" "', argument " "2"" of type '" "unsigned int""'"); }
36053     arg2 = static_cast< unsigned int >(val2); (*arg1)->SetIdx(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
36054   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_SetAtomID(SEXP self,SEXP atom,SEXP id)36055 SWIGEXPORT SEXP R_swig_OBResidueIter_SetAtomID ( SEXP self, SEXP atom, SEXP id) {
36056   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
36057   std::string *arg3 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; int res3 = SWIG_OLDOBJ ;
36058   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36059   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36060     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_SetAtomID" "', argument " "1"" of type '" "OpenBabel::OBResidueIter *""'");  }
36061    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1);
36062   res2 = SWIG_R_ConvertPtr(atom, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
36063     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueIter_SetAtomID" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
36064    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); { std::string *ptr = (std::string *)0;
36065     res3 = SWIG_AsPtr_std_string(id, &ptr); if (!SWIG_IsOK(res3)) {
36066       SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBResidueIter_SetAtomID" "', argument " "3"" of type '" "std::string const &""'"); }
36067      if (!ptr) {
36068       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueIter_SetAtomID" "', argument " "3"" of type '" "std::string const &""'"); }
36069      arg3 = ptr; }  (*arg1)->SetAtomID(arg2,(std::string const &)*arg3); r_ans = R_NilValue;
36070   if (SWIG_IsNewObj(res3)) delete arg3; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_SetHetAtom(SEXP self,SEXP atom,SEXP hetatm)36071 SWIGEXPORT SEXP R_swig_OBResidueIter_SetHetAtom ( SEXP self, SEXP atom, SEXP hetatm) {
36072   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
36073   bool arg3 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0;
36074   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36075   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36076     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_SetHetAtom" "', argument " "1"" of type '" "OpenBabel::OBResidueIter *""'");  }
36077    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1);
36078   res2 = SWIG_R_ConvertPtr(atom, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
36079     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueIter_SetHetAtom" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
36080    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); arg3 = LOGICAL(hetatm)[0] ? true : false;
36081   (*arg1)->SetHetAtom(arg2,arg3); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_SetSerialNum(SEXP self,SEXP atom,SEXP sernum)36082 SWIGEXPORT SEXP R_swig_OBResidueIter_SetSerialNum ( SEXP self, SEXP atom, SEXP sernum) {
36083   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
36084   unsigned int arg3 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; int val3 ; int ecode3 = 0 ;
36085   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36086   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36087     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_SetSerialNum" "', argument " "1"" of type '" "OpenBabel::OBResidueIter *""'");  }
36088    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1);
36089   res2 = SWIG_R_ConvertPtr(atom, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
36090     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueIter_SetSerialNum" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
36091    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); ecode3 = SWIG_AsVal_int(sernum, &val3); if (!SWIG_IsOK(ecode3)) {
36092     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "OBResidueIter_SetSerialNum" "', argument " "3"" of type '" "unsigned int""'"); }
36093     arg3 = static_cast< unsigned int >(val3); (*arg1)->SetSerialNum(arg2,arg3); r_ans = R_NilValue; vmaxset(r_vmax);
36094   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_GetName(SEXP self,SEXP s_swig_copy)36095 SWIGEXPORT SEXP R_swig_OBResidueIter_GetName ( SEXP self, SEXP s_swig_copy) { std::string result;
36096   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36097   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36098   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36099     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_GetName" "', argument " "1"" of type '" "OpenBabel::OBResidueIter const *""'");  }
36100    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); result = (*arg1)->GetName();
36101   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
36102   return r_ans; }
R_swig_OBResidueIter_GetNum(SEXP self,SEXP s_swig_copy)36103 SWIGEXPORT SEXP R_swig_OBResidueIter_GetNum ( SEXP self, SEXP s_swig_copy) { unsigned int result;
36104   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36105   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36106   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36107     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_GetNum" "', argument " "1"" of type '" "OpenBabel::OBResidueIter *""'");  }
36108    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); result = (unsigned int)(*arg1)->GetNum();
36109   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_GetNumString(SEXP self,SEXP s_swig_copy)36110 SWIGEXPORT SEXP R_swig_OBResidueIter_GetNumString ( SEXP self, SEXP s_swig_copy) { std::string result;
36111   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36112   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36113   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36114     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_GetNumString" "', argument " "1"" of type '" "OpenBabel::OBResidueIter *""'");  }
36115    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); result = (*arg1)->GetNumString();
36116   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
36117   return r_ans; }
R_swig_OBResidueIter_GetNumAtoms(SEXP self,SEXP s_swig_copy)36118 SWIGEXPORT SEXP R_swig_OBResidueIter_GetNumAtoms ( SEXP self, SEXP s_swig_copy) { unsigned int result;
36119   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36120   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36121   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36122     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_GetNumAtoms" "', argument " "1"" of type '" "OpenBabel::OBResidueIter const *""'");  }
36123    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); result = (unsigned int)(*arg1)->GetNumAtoms();
36124   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_GetChain(SEXP self,SEXP s_swig_copy)36125 SWIGEXPORT SEXP R_swig_OBResidueIter_GetChain ( SEXP self, SEXP s_swig_copy) { char result;
36126   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36127   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36128   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36129     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_GetChain" "', argument " "1"" of type '" "OpenBabel::OBResidueIter const *""'");  }
36130    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); result = (char)(*arg1)->GetChain(); { char tmp[2] = "x";
36131     tmp[0] = result;     r_ans = Rf_mkString(tmp);  }  vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_GetChainNum(SEXP self,SEXP s_swig_copy)36132 SWIGEXPORT SEXP R_swig_OBResidueIter_GetChainNum ( SEXP self, SEXP s_swig_copy) { unsigned int result;
36133   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36134   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36135   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36136     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_GetChainNum" "', argument " "1"" of type '" "OpenBabel::OBResidueIter const *""'");  }
36137    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); result = (unsigned int)(*arg1)->GetChainNum();
36138   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_GetIdx(SEXP self,SEXP s_swig_copy)36139 SWIGEXPORT SEXP R_swig_OBResidueIter_GetIdx ( SEXP self, SEXP s_swig_copy) { unsigned int result;
36140   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36141   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36142   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36143     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_GetIdx" "', argument " "1"" of type '" "OpenBabel::OBResidueIter const *""'");  }
36144    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); result = (unsigned int)(*arg1)->GetIdx();
36145   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_GetResKey(SEXP self,SEXP s_swig_copy)36146 SWIGEXPORT SEXP R_swig_OBResidueIter_GetResKey ( SEXP self, SEXP s_swig_copy) { unsigned int result;
36147   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36148   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36149   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36150     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_GetResKey" "', argument " "1"" of type '" "OpenBabel::OBResidueIter const *""'");  }
36151    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); result = (unsigned int)(*arg1)->GetResKey();
36152   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_GetAtoms(SEXP self,SEXP s_swig_copy)36153 SWIGEXPORT SEXP R_swig_OBResidueIter_GetAtoms ( SEXP self, SEXP s_swig_copy) {
36154   SwigValueWrapper< std::vector< OpenBabel::OBAtom *,std::allocator< OpenBabel::OBAtom * > > > result;
36155   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36156   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36157   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36158     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_GetAtoms" "', argument " "1"" of type '" "OpenBabel::OBResidueIter const *""'");  }
36159    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); result = (*arg1)->GetAtoms();
36160   r_ans = SWIG_R_NewPointerObj((new std::vector< OpenBabel::OBAtom *,std::allocator< OpenBabel::OBAtom * > >(static_cast< const std::vector< OpenBabel::OBAtom *,std::allocator< OpenBabel::OBAtom * > >& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBAtom_p_std__allocatorT_OpenBabel__OBAtom_p_t_t, SWIG_POINTER_OWN |  0 );
36161   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_GetBonds__SWIG_0(SEXP self,SEXP exterior,SEXP s_swig_copy)36162 SWIGEXPORT SEXP R_swig_OBResidueIter_GetBonds__SWIG_0 ( SEXP self, SEXP exterior, SEXP s_swig_copy) {
36163   SwigValueWrapper< std::vector< OpenBabel::OBBond *,std::allocator< OpenBabel::OBBond * > > > result;
36164   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
36165   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36166   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36167     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_GetBonds" "', argument " "1"" of type '" "OpenBabel::OBResidueIter const *""'");  }
36168    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); arg2 = LOGICAL(exterior)[0] ? true : false;
36169   result = (*arg1)->GetBonds(arg2);
36170   r_ans = SWIG_R_NewPointerObj((new std::vector< OpenBabel::OBBond *,std::allocator< OpenBabel::OBBond * > >(static_cast< const std::vector< OpenBabel::OBBond *,std::allocator< OpenBabel::OBBond * > >& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t, SWIG_POINTER_OWN |  0 );
36171   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_GetBonds__SWIG_1(SEXP self,SEXP s_swig_copy)36172 SWIGEXPORT SEXP R_swig_OBResidueIter_GetBonds__SWIG_1 ( SEXP self, SEXP s_swig_copy) {
36173   SwigValueWrapper< std::vector< OpenBabel::OBBond *,std::allocator< OpenBabel::OBBond * > > > result;
36174   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36175   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36176   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36177     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_GetBonds" "', argument " "1"" of type '" "OpenBabel::OBResidueIter const *""'");  }
36178    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); result = (*arg1)->GetBonds();
36179   r_ans = SWIG_R_NewPointerObj((new std::vector< OpenBabel::OBBond *,std::allocator< OpenBabel::OBBond * > >(static_cast< const std::vector< OpenBabel::OBBond *,std::allocator< OpenBabel::OBBond * > >& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t, SWIG_POINTER_OWN |  0 );
36180   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_GetAtomID(SEXP self,SEXP atom,SEXP s_swig_copy)36181 SWIGEXPORT SEXP R_swig_OBResidueIter_GetAtomID ( SEXP self, SEXP atom, SEXP s_swig_copy) { std::string result;
36182   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
36183   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
36184   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 );
36185   if (!SWIG_IsOK(res1)) {
36186     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_GetAtomID" "', argument " "1"" of type '" "OpenBabel::OBResidueIter const *""'");  }
36187    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1);
36188   res2 = SWIG_R_ConvertPtr(atom, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
36189     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueIter_GetAtomID" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
36190    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (*arg1)->GetAtomID(arg2);
36191   r_ans = SWIG_From_std_string(static_cast< std::string >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
36192   return r_ans; }
R_swig_OBResidueIter_GetSerialNum(SEXP self,SEXP atom,SEXP s_swig_copy)36193 SWIGEXPORT SEXP R_swig_OBResidueIter_GetSerialNum ( SEXP self, SEXP atom, SEXP s_swig_copy) { unsigned int result;
36194   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
36195   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
36196   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 );
36197   if (!SWIG_IsOK(res1)) {
36198     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_GetSerialNum" "', argument " "1"" of type '" "OpenBabel::OBResidueIter const *""'");  }
36199    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1);
36200   res2 = SWIG_R_ConvertPtr(atom, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
36201     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueIter_GetSerialNum" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
36202    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (unsigned int)(*arg1)->GetSerialNum(arg2);
36203   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_GetAminoAcidProperty(SEXP self,SEXP s_arg2,SEXP s_swig_copy)36204 SWIGEXPORT SEXP R_swig_OBResidueIter_GetAminoAcidProperty ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
36205   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
36206   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36207   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36208     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_GetAminoAcidProperty" "', argument " "1"" of type '" "OpenBabel::OBResidueIter const *""'");  }
36209    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
36210   result = (bool)(*arg1)->GetAminoAcidProperty(arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
36211   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_GetAtomProperty(SEXP self,SEXP a,SEXP s_arg3,SEXP s_swig_copy)36212 SWIGEXPORT SEXP R_swig_OBResidueIter_GetAtomProperty ( SEXP self, SEXP a, SEXP s_arg3, SEXP s_swig_copy) { bool result;
36213   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
36214   int arg3 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0;
36215   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36216   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36217     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_GetAtomProperty" "', argument " "1"" of type '" "OpenBabel::OBResidueIter const *""'");  }
36218    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1);
36219   res2 = SWIG_R_ConvertPtr(a, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
36220     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueIter_GetAtomProperty" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
36221    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); arg3 = static_cast< int >(INTEGER(s_arg3)[0]);
36222   result = (bool)(*arg1)->GetAtomProperty(arg2,arg3); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
36223   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_GetResidueProperty(SEXP self,SEXP s_arg2,SEXP s_swig_copy)36224 SWIGEXPORT SEXP R_swig_OBResidueIter_GetResidueProperty ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
36225   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
36226   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36227   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36228     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_GetResidueProperty" "', argument " "1"" of type '" "OpenBabel::OBResidueIter const *""'");  }
36229    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
36230   result = (bool)(*arg1)->GetResidueProperty(arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
36231   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_IsHetAtom(SEXP self,SEXP atom,SEXP s_swig_copy)36232 SWIGEXPORT SEXP R_swig_OBResidueIter_IsHetAtom ( SEXP self, SEXP atom, SEXP s_swig_copy) { bool result;
36233   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
36234   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
36235   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 );
36236   if (!SWIG_IsOK(res1)) {
36237     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_IsHetAtom" "', argument " "1"" of type '" "OpenBabel::OBResidueIter const *""'");  }
36238    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1);
36239   res2 = SWIG_R_ConvertPtr(atom, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
36240     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueIter_IsHetAtom" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
36241    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (bool)(*arg1)->IsHetAtom(arg2);
36242   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_IsResidueType(SEXP self,SEXP s_arg2,SEXP s_swig_copy)36243 SWIGEXPORT SEXP R_swig_OBResidueIter_IsResidueType ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
36244   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
36245   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36246   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36247     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_IsResidueType" "', argument " "1"" of type '" "OpenBabel::OBResidueIter const *""'");  }
36248    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
36249   result = (bool)(*arg1)->IsResidueType(arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
36250   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_BeginAtoms(SEXP self,SEXP s_swig_copy)36251 SWIGEXPORT SEXP R_swig_OBResidueIter_BeginAtoms ( SEXP self, SEXP s_swig_copy) {
36252   SwigValueWrapper< std::vector< OpenBabel::OBAtom *,std::allocator< OpenBabel::OBAtom * > >::iterator > result;
36253   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36254   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36255   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36256     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_BeginAtoms" "', argument " "1"" of type '" "OpenBabel::OBResidueIter *""'");  }
36257    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); result = (*arg1)->BeginAtoms();
36258   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBAtomIterator(static_cast< const OpenBabel::OBAtomIterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBAtom_p_std__allocatorT_OpenBabel__OBAtom_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
36259   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_EndAtoms(SEXP self,SEXP s_swig_copy)36260 SWIGEXPORT SEXP R_swig_OBResidueIter_EndAtoms ( SEXP self, SEXP s_swig_copy) {
36261   SwigValueWrapper< std::vector< OpenBabel::OBAtom *,std::allocator< OpenBabel::OBAtom * > >::iterator > result;
36262   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36263   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36264   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36265     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_EndAtoms" "', argument " "1"" of type '" "OpenBabel::OBResidueIter *""'");  }
36266    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); result = (*arg1)->EndAtoms();
36267   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBAtomIterator(static_cast< const OpenBabel::OBAtomIterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBAtom_p_std__allocatorT_OpenBabel__OBAtom_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
36268   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_BeginAtom(SEXP self,SEXP i)36269 SWIGEXPORT SEXP R_swig_OBResidueIter_BeginAtom ( SEXP self, SEXP i) { OpenBabel::OBAtom *result = 0 ;
36270   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ;
36271   std::vector< OpenBabel::OBAtom *,std::allocator< OpenBabel::OBAtom * > >::iterator *arg2 = 0 ; void *argp1 = 0 ;
36272   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
36273   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 );
36274   if (!SWIG_IsOK(res1)) {
36275     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_BeginAtom" "', argument " "1"" of type '" "OpenBabel::OBResidueIter *""'");  }
36276    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1);
36277   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBAtom_p_std__allocatorT_OpenBabel__OBAtom_p_t_t__iterator,  0 );
36278   if (!SWIG_IsOK(res2)) {
36279     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueIter_BeginAtom" "', argument " "2"" of type '" "std::vector< OpenBabel::OBAtom *,std::allocator< OpenBabel::OBAtom * > >::iterator &""'");  }
36280    if (!argp2) {
36281     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueIter_BeginAtom" "', argument " "2"" of type '" "std::vector< OpenBabel::OBAtom *,std::allocator< OpenBabel::OBAtom * > >::iterator &""'"); }
36282    arg2 = reinterpret_cast< std::vector< OpenBabel::OBAtom *,std::allocator< OpenBabel::OBAtom * > >::iterator * >(argp2);
36283   result = (OpenBabel::OBAtom *)(*arg1)->BeginAtom(*arg2);
36284   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
36285   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_NextAtom(SEXP self,SEXP i)36286 SWIGEXPORT SEXP R_swig_OBResidueIter_NextAtom ( SEXP self, SEXP i) { OpenBabel::OBAtom *result = 0 ;
36287   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ;
36288   std::vector< OpenBabel::OBAtom *,std::allocator< OpenBabel::OBAtom * > >::iterator *arg2 = 0 ; void *argp1 = 0 ;
36289   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
36290   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 );
36291   if (!SWIG_IsOK(res1)) {
36292     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_NextAtom" "', argument " "1"" of type '" "OpenBabel::OBResidueIter *""'");  }
36293    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1);
36294   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBAtom_p_std__allocatorT_OpenBabel__OBAtom_p_t_t__iterator,  0 );
36295   if (!SWIG_IsOK(res2)) {
36296     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueIter_NextAtom" "', argument " "2"" of type '" "std::vector< OpenBabel::OBAtom *,std::allocator< OpenBabel::OBAtom * > >::iterator &""'");  }
36297    if (!argp2) {
36298     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueIter_NextAtom" "', argument " "2"" of type '" "std::vector< OpenBabel::OBAtom *,std::allocator< OpenBabel::OBAtom * > >::iterator &""'"); }
36299    arg2 = reinterpret_cast< std::vector< OpenBabel::OBAtom *,std::allocator< OpenBabel::OBAtom * > >::iterator * >(argp2);
36300   result = (OpenBabel::OBAtom *)(*arg1)->NextAtom(*arg2);
36301   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
36302   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_Clear(SEXP self,SEXP s_swig_copy)36303 SWIGEXPORT SEXP R_swig_OBResidueIter_Clear ( SEXP self, SEXP s_swig_copy) { bool result;
36304   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36305   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36306   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36307     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_Clear" "', argument " "1"" of type '" "OpenBabel::OBResidueIter *""'");  }
36308    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); result = (bool)(*arg1)->Clear();
36309   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_DoTransformations(SEXP self,SEXP s_arg2,SEXP s_arg3)36310 SWIGEXPORT SEXP R_swig_OBResidueIter_DoTransformations ( SEXP self, SEXP s_arg2, SEXP s_arg3) { OpenBabel::OBBase *result = 0 ;
36311   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ;
36312   std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > *arg2 = (std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > *) 0 ;
36313   OpenBabel::OBConversion *arg3 = (OpenBabel::OBConversion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
36314   int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
36315   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 );
36316   if (!SWIG_IsOK(res1)) {
36317     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_DoTransformations" "', argument " "1"" of type '" "OpenBabel::OBResidueIter *""'");  }
36318    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1);
36319   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_std__mapT_std__string_std__string_std__lessT_std__string_t_std__allocatorT_std__pairT_std__string_const_std__string_t_t_t, 0 |  0 );
36320   if (!SWIG_IsOK(res2)) {
36321     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueIter_DoTransformations" "', argument " "2"" of type '" "std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > const *""'");  }
36322 
36323   arg2 = reinterpret_cast< std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > * >(argp2);
36324   res3 = SWIG_R_ConvertPtr(s_arg3, &argp3, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res3)) {
36325     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBResidueIter_DoTransformations" "', argument " "3"" of type '" "OpenBabel::OBConversion *""'");  }
36326    arg3 = reinterpret_cast< OpenBabel::OBConversion * >(argp3);
36327   result = (OpenBabel::OBBase *)(*arg1)->DoTransformations((std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > const *)arg2,arg3);
36328   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBase, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
36329   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_ClassDescription(SEXP self)36330 SWIGEXPORT SEXP R_swig_OBResidueIter_ClassDescription ( SEXP self) { char *result = 0 ;
36331   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36332   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36333   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36334     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_ClassDescription" "', argument " "1"" of type '" "OpenBabel::OBResidueIter *""'");  }
36335    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); result = (char *)(*arg1)->ClassDescription();
36336   r_ans = SWIG_FromCharPtr((const char *)result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_GetTitle__SWIG_0(SEXP self,SEXP replaceNewlines)36337 SWIGEXPORT SEXP R_swig_OBResidueIter_GetTitle__SWIG_0 ( SEXP self, SEXP replaceNewlines) { char *result = 0 ;
36338   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
36339   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36340   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36341     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_GetTitle" "', argument " "1"" of type '" "OpenBabel::OBResidueIter const *""'");  }
36342    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); arg2 = LOGICAL(replaceNewlines)[0] ? true : false;
36343   result = (char *)(*arg1)->GetTitle(arg2); r_ans = SWIG_FromCharPtr((const char *)result); vmaxset(r_vmax);
36344   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_GetTitle__SWIG_1(SEXP self)36345 SWIGEXPORT SEXP R_swig_OBResidueIter_GetTitle__SWIG_1 ( SEXP self) { char *result = 0 ;
36346   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36347   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36348   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36349     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_GetTitle" "', argument " "1"" of type '" "OpenBabel::OBResidueIter const *""'");  }
36350    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); result = (char *)(*arg1)->GetTitle();
36351   r_ans = SWIG_FromCharPtr((const char *)result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_SetTitle(SEXP self,SEXP s_arg2)36352 SWIGEXPORT SEXP R_swig_OBResidueIter_SetTitle ( SEXP self, SEXP s_arg2) {
36353   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; char *arg2 = (char *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36354   int res2 ; char *buf2 = 0 ; int alloc2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
36355   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 );
36356   if (!SWIG_IsOK(res1)) {
36357     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_SetTitle" "', argument " "1"" of type '" "OpenBabel::OBResidueIter *""'");  }
36358    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); res2 = SWIG_AsCharPtrAndSize(s_arg2, &buf2, NULL, &alloc2);
36359   if (!SWIG_IsOK(res2)) {
36360     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueIter_SetTitle" "', argument " "2"" of type '" "char const *""'"); }
36361    arg2 = reinterpret_cast< char * >(buf2); (*arg1)->SetTitle((char const *)arg2); r_ans = R_NilValue;
36362   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_HasData__SWIG_0(SEXP self,SEXP s_arg2,SEXP s_swig_copy)36363 SWIGEXPORT SEXP R_swig_OBResidueIter_HasData__SWIG_0 ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
36364   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
36365   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36366   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36367     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_HasData" "', argument " "1"" of type '" "OpenBabel::OBResidueIter *""'");  }
36368    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); { std::string *ptr = (std::string *)0;
36369     res2 = SWIG_AsPtr_std_string(s_arg2, &ptr); if (!SWIG_IsOK(res2)) {
36370       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueIter_HasData" "', argument " "2"" of type '" "std::string const &""'"); }
36371      if (!ptr) {
36372       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueIter_HasData" "', argument " "2"" of type '" "std::string const &""'"); }
36373      arg2 = ptr; }  result = (bool)(*arg1)->HasData((std::string const &)*arg2); r_ans = Rf_ScalarLogical(result);
36374   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_HasData__SWIG_1(SEXP self,SEXP type,SEXP s_swig_copy)36375 SWIGEXPORT SEXP R_swig_OBResidueIter_HasData__SWIG_1 ( SEXP self, SEXP type, SEXP s_swig_copy) { bool result;
36376   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
36377   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36378   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36379     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_HasData" "', argument " "1"" of type '" "OpenBabel::OBResidueIter *""'");  }
36380    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); ecode2 = SWIG_AsVal_int(type, &val2); if (!SWIG_IsOK(ecode2)) {
36381     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBResidueIter_HasData" "', argument " "2"" of type '" "unsigned int""'"); }
36382     arg2 = static_cast< unsigned int >(val2); result = (bool)(*arg1)->HasData(arg2); r_ans = Rf_ScalarLogical(result);
36383   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_DeleteData__SWIG_0(SEXP self,SEXP type)36384 SWIGEXPORT SEXP R_swig_OBResidueIter_DeleteData__SWIG_0 ( SEXP self, SEXP type) {
36385   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
36386   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36387   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36388     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_DeleteData" "', argument " "1"" of type '" "OpenBabel::OBResidueIter *""'");  }
36389    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); ecode2 = SWIG_AsVal_int(type, &val2); if (!SWIG_IsOK(ecode2)) {
36390     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBResidueIter_DeleteData" "', argument " "2"" of type '" "unsigned int""'"); }
36391     arg2 = static_cast< unsigned int >(val2); (*arg1)->DeleteData(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
36392   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_DeleteData__SWIG_1(SEXP self,SEXP s_arg2)36393 SWIGEXPORT SEXP R_swig_OBResidueIter_DeleteData__SWIG_1 ( SEXP self, SEXP s_arg2) {
36394   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ;
36395   OpenBabel::OBGenericData *arg2 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
36396   int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36397   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36398     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_DeleteData" "', argument " "1"" of type '" "OpenBabel::OBResidueIter *""'");  }
36399    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1);
36400   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res2)) {
36401     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueIter_DeleteData" "', argument " "2"" of type '" "OpenBabel::OBGenericData *""'");  }
36402    arg2 = reinterpret_cast< OpenBabel::OBGenericData * >(argp2); (*arg1)->DeleteData(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
36403   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_DeleteData__SWIG_2(SEXP self,SEXP s_arg2)36404 SWIGEXPORT SEXP R_swig_OBResidueIter_DeleteData__SWIG_2 ( SEXP self, SEXP s_arg2) {
36405   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ;
36406   std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > *arg2 = 0 ; void *argp1 = 0 ;
36407   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
36408   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 );
36409   if (!SWIG_IsOK(res1)) {
36410     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_DeleteData" "', argument " "1"" of type '" "OpenBabel::OBResidueIter *""'");  }
36411    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1);
36412   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t,  0 );
36413   if (!SWIG_IsOK(res2)) {
36414     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueIter_DeleteData" "', argument " "2"" of type '" "std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > &""'");  }
36415    if (!argp2) {
36416     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueIter_DeleteData" "', argument " "2"" of type '" "std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > &""'"); }
36417    arg2 = reinterpret_cast< std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > * >(argp2);
36418   (*arg1)->DeleteData(*arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_DeleteData__SWIG_3(SEXP self,SEXP s,SEXP s_swig_copy)36419 SWIGEXPORT SEXP R_swig_OBResidueIter_DeleteData__SWIG_3 ( SEXP self, SEXP s, SEXP s_swig_copy) { bool result;
36420   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
36421   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36422   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36423     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_DeleteData" "', argument " "1"" of type '" "OpenBabel::OBResidueIter *""'");  }
36424    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); { std::string *ptr = (std::string *)0;
36425     res2 = SWIG_AsPtr_std_string(s, &ptr); if (!SWIG_IsOK(res2)) {
36426       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueIter_DeleteData" "', argument " "2"" of type '" "std::string const &""'"); }
36427      if (!ptr) {
36428       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueIter_DeleteData" "', argument " "2"" of type '" "std::string const &""'"); }
36429      arg2 = ptr; }  result = (bool)(*arg1)->DeleteData((std::string const &)*arg2); r_ans = Rf_ScalarLogical(result);
36430   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_CloneData(SEXP self,SEXP d)36431 SWIGEXPORT SEXP R_swig_OBResidueIter_CloneData ( SEXP self, SEXP d) {
36432   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ;
36433   OpenBabel::OBGenericData *arg2 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
36434   int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36435   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36436     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_CloneData" "', argument " "1"" of type '" "OpenBabel::OBResidueIter *""'");  }
36437    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1);
36438   res2 = SWIG_R_ConvertPtr(d, &argp2, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res2)) {
36439     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueIter_CloneData" "', argument " "2"" of type '" "OpenBabel::OBGenericData *""'");  }
36440    arg2 = reinterpret_cast< OpenBabel::OBGenericData * >(argp2); (*arg1)->CloneData(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
36441   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_DataSize(SEXP self,SEXP s_swig_copy)36442 SWIGEXPORT SEXP R_swig_OBResidueIter_DataSize ( SEXP self, SEXP s_swig_copy) { size_t result;
36443   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36444   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36445   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36446     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_DataSize" "', argument " "1"" of type '" "OpenBabel::OBResidueIter const *""'");  }
36447    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); result = (*arg1)->DataSize();
36448   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_GetData__SWIG_0(SEXP self,SEXP type)36449 SWIGEXPORT SEXP R_swig_OBResidueIter_GetData__SWIG_0 ( SEXP self, SEXP type) { OpenBabel::OBGenericData *result = 0 ;
36450   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
36451   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36452   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36453     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_GetData" "', argument " "1"" of type '" "OpenBabel::OBResidueIter *""'");  }
36454    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); ecode2 = SWIG_AsVal_int(type, &val2); if (!SWIG_IsOK(ecode2)) {
36455     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBResidueIter_GetData" "', argument " "2"" of type '" "unsigned int""'"); }
36456     arg2 = static_cast< unsigned int >(val2); result = (OpenBabel::OBGenericData *)(*arg1)->GetData(arg2);
36457   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGenericData, R_SWIG_EXTERNAL |  0 );
36458   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_GetData__SWIG_1(SEXP self,SEXP s_arg2)36459 SWIGEXPORT SEXP R_swig_OBResidueIter_GetData__SWIG_1 ( SEXP self, SEXP s_arg2) { OpenBabel::OBGenericData *result = 0 ;
36460   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
36461   int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36462   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36463     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_GetData" "', argument " "1"" of type '" "OpenBabel::OBResidueIter *""'");  }
36464    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); { std::string *ptr = (std::string *)0;
36465     res2 = SWIG_AsPtr_std_string(s_arg2, &ptr); if (!SWIG_IsOK(res2)) {
36466       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueIter_GetData" "', argument " "2"" of type '" "std::string const &""'"); }
36467      if (!ptr) {
36468       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueIter_GetData" "', argument " "2"" of type '" "std::string const &""'"); }
36469      arg2 = ptr; }  result = (OpenBabel::OBGenericData *)(*arg1)->GetData((std::string const &)*arg2);
36470   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGenericData, R_SWIG_EXTERNAL |  0 );
36471   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_GetData__SWIG_2(SEXP self,SEXP s_swig_copy)36472 SWIGEXPORT SEXP R_swig_OBResidueIter_GetData__SWIG_2 ( SEXP self, SEXP s_swig_copy) {
36473   std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > *result = 0 ;
36474   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36475   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36476   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36477     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_GetData" "', argument " "1"" of type '" "OpenBabel::OBResidueIter *""'");  }
36478    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1);
36479   result = (std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > *) &(*arg1)->GetData();
36480   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t, R_SWIG_EXTERNAL |  0 );
36481   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_GetData__SWIG_3(SEXP self,SEXP source,SEXP s_swig_copy)36482 SWIGEXPORT SEXP R_swig_OBResidueIter_GetData__SWIG_3 ( SEXP self, SEXP source, SEXP s_swig_copy) {
36483   std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > result;
36484   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; OpenBabel::DataOrigin arg2 ; void *argp1 = 0 ;
36485   int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
36486   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 );
36487   if (!SWIG_IsOK(res1)) {
36488     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_GetData" "', argument " "1"" of type '" "OpenBabel::OBResidueIter *""'");  }
36489    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); ecode2 = SWIG_AsVal_int(source, &val2);
36490   if (!SWIG_IsOK(ecode2)) {
36491     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBResidueIter_GetData" "', argument " "2"" of type '" "OpenBabel::DataOrigin""'"); }
36492     arg2 = static_cast< OpenBabel::DataOrigin >(val2); result = (*arg1)->GetData(arg2);
36493   r_ans = swig::from(static_cast< std::vector<OpenBabel::OBGenericData*,std::allocator< OpenBabel::OBGenericData * > > >(result));
36494   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_GetAllData(SEXP self,SEXP type,SEXP s_swig_copy)36495 SWIGEXPORT SEXP R_swig_OBResidueIter_GetAllData ( SEXP self, SEXP type, SEXP s_swig_copy) {
36496   std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > result;
36497   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
36498   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36499   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36500     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_GetAllData" "', argument " "1"" of type '" "OpenBabel::OBResidueIter *""'");  }
36501    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); ecode2 = SWIG_AsVal_int(type, &val2); if (!SWIG_IsOK(ecode2)) {
36502     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBResidueIter_GetAllData" "', argument " "2"" of type '" "unsigned int""'"); }
36503     arg2 = static_cast< unsigned int >(val2); result = (*arg1)->GetAllData(arg2);
36504   r_ans = swig::from(static_cast< std::vector<OpenBabel::OBGenericData*,std::allocator< OpenBabel::OBGenericData * > > >(result));
36505   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_BeginData(SEXP self,SEXP s_swig_copy)36506 SWIGEXPORT SEXP R_swig_OBResidueIter_BeginData ( SEXP self, SEXP s_swig_copy) {
36507   SwigValueWrapper< std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > >::iterator > result;
36508   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36509   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36510   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36511     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_BeginData" "', argument " "1"" of type '" "OpenBabel::OBResidueIter *""'");  }
36512    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); result = (*arg1)->BeginData();
36513   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBDataIterator(static_cast< const OpenBabel::OBDataIterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
36514   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueIter_EndData(SEXP self,SEXP s_swig_copy)36515 SWIGEXPORT SEXP R_swig_OBResidueIter_EndData ( SEXP self, SEXP s_swig_copy) {
36516   SwigValueWrapper< std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > >::iterator > result;
36517   OpenBabel::OBResidueIter *arg1 = (OpenBabel::OBResidueIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36518   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36519   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36520     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueIter_EndData" "', argument " "1"" of type '" "OpenBabel::OBResidueIter *""'");  }
36521    arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); result = (*arg1)->EndData();
36522   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBDataIterator(static_cast< const OpenBabel::OBDataIterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
36523   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBResidueAtomIter__SWIG_0()36524 SWIGEXPORT SEXP R_swig_new_OBResidueAtomIter__SWIG_0 ( ) { OpenBabel::OBResidueAtomIter *result = 0 ;
36525   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36526   result = (OpenBabel::OBResidueAtomIter *)new OpenBabel::OBResidueAtomIter();
36527   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBResidueAtomIter, R_SWIG_OWNER |  0 );
36528   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBResidueAtomIter__SWIG_1(SEXP res)36529 SWIGEXPORT SEXP R_swig_new_OBResidueAtomIter__SWIG_1 ( SEXP res) { OpenBabel::OBResidueAtomIter *result = 0 ;
36530   OpenBabel::OBResidue *arg1 = (OpenBabel::OBResidue *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
36531   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36532   res1 = SWIG_R_ConvertPtr(res, &argp1, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36533     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBResidueAtomIter" "', argument " "1"" of type '" "OpenBabel::OBResidue *""'");  }
36534    arg1 = reinterpret_cast< OpenBabel::OBResidue * >(argp1);
36535   result = (OpenBabel::OBResidueAtomIter *)new OpenBabel::OBResidueAtomIter(arg1);
36536   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBResidueAtomIter, R_SWIG_OWNER |  0 );
36537   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBResidueAtomIter__SWIG_2(SEXP ri)36538 SWIGEXPORT SEXP R_swig_new_OBResidueAtomIter__SWIG_2 ( SEXP ri) { OpenBabel::OBResidueAtomIter *result = 0 ;
36539   OpenBabel::OBResidueAtomIter *arg1 = 0 ; void *argp1 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
36540   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(ri, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter,  0 );
36541   if (!SWIG_IsOK(res1)) {
36542     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBResidueAtomIter" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const &""'");  }
36543    if (!argp1) {
36544     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBResidueAtomIter" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const &""'"); }
36545    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1);
36546   result = (OpenBabel::OBResidueAtomIter *)new OpenBabel::OBResidueAtomIter((OpenBabel::OBResidueAtomIter const &)*arg1);
36547   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBResidueAtomIter, R_SWIG_OWNER |  0 );
36548   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBResidueAtomIter(SEXP self)36549 SWIGEXPORT SEXP R_swig_delete_OBResidueAtomIter ( SEXP self) {
36550   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36551   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36552   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, SWIG_POINTER_DISOWN |  0 );
36553   if (!SWIG_IsOK(res1)) {
36554     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBResidueAtomIter" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
36555    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
36556   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBResidueAtomIter_HasMore(SEXP self,SEXP s_swig_copy)36557 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_HasMore ( SEXP self, SEXP s_swig_copy) { bool result;
36558   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36559   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36560   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36561     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_HasMore" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const *""'");  }
36562    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1);
36563   result = (bool)((OpenBabel::OBResidueAtomIter const *)arg1)->operator bool(); r_ans = Rf_ScalarLogical(result);
36564   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_inc__SWIG_0(SEXP self,SEXP s_swig_copy)36565 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_inc__SWIG_0 ( SEXP self, SEXP s_swig_copy) { OpenBabel::OBResidueAtomIter *result = 0 ;
36566   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36567   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36568   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36569     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_inc" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
36570    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1);
36571   result = (OpenBabel::OBResidueAtomIter *) &(arg1)->operator ++();
36572   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBResidueAtomIter, R_SWIG_EXTERNAL |  0 );
36573   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_inc__SWIG_1(SEXP self,SEXP s_arg2,SEXP s_swig_copy)36574 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_inc__SWIG_1 ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) {
36575   OpenBabel::OBResidueAtomIter result; OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; int arg2 ;
36576   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36577   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36578     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_inc" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
36579    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
36580   result = (arg1)->operator ++(arg2);
36581   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBResidueAtomIter(static_cast< const OpenBabel::OBResidueAtomIter& >(result))), SWIGTYPE_p_OpenBabel__OBResidueAtomIter, SWIG_POINTER_OWN |  0 );
36582   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter___deref__(SEXP self)36583 SWIGEXPORT SEXP R_swig_OBResidueAtomIter___deref__ ( SEXP self) { OpenBabel::OBAtom *result = 0 ;
36584   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36585   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36586   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36587     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter___deref__" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const *""'");  }
36588    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1);
36589   result = (OpenBabel::OBAtom *)((OpenBabel::OBResidueAtomIter const *)arg1)->operator ->();
36590   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
36591   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter___ref__(SEXP self,SEXP s_swig_copy)36592 SWIGEXPORT SEXP R_swig_OBResidueAtomIter___ref__ ( SEXP self, SEXP s_swig_copy) { OpenBabel::OBAtom *result = 0 ;
36593   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36594   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36595   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36596     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter___ref__" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const *""'");  }
36597    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1);
36598   result = (OpenBabel::OBAtom *) &((OpenBabel::OBResidueAtomIter const *)arg1)->operator *();
36599   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
36600   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_Visit_set(SEXP self,SEXP s_Visit)36601 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_Visit_set ( SEXP self, SEXP s_Visit) {
36602   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
36603   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36604   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36605     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_Visit_set" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
36606    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); arg2 = LOGICAL(s_Visit)[0] ? true : false;
36607   if (arg1) (*arg1)->Visit = arg2; r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_Visit_get(SEXP self,SEXP s_swig_copy)36608 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_Visit_get ( SEXP self, SEXP s_swig_copy) { bool result;
36609   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36610   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36611   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36612     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_Visit_get" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
36613    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (bool) ((*arg1)->Visit);
36614   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_Duplicate(SEXP self,SEXP s_arg2)36615 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_Duplicate ( SEXP self, SEXP s_arg2) {
36616   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
36617   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
36618   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 );
36619   if (!SWIG_IsOK(res1)) {
36620     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_Duplicate" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
36621    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1);
36622   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
36623     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_Duplicate" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
36624    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); (*arg1)->Duplicate(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
36625   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_SetIdx(SEXP self,SEXP idx)36626 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_SetIdx ( SEXP self, SEXP idx) {
36627   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
36628   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36629   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36630     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_SetIdx" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
36631    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); arg2 = static_cast< int >(INTEGER(idx)[0]);
36632   (*arg1)->SetIdx(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_SetId(SEXP self,SEXP id)36633 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_SetId ( SEXP self, SEXP id) {
36634   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; unsigned long arg2 ; void *argp1 = 0 ;
36635   int res1 = 0 ; long val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
36636   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 );
36637   if (!SWIG_IsOK(res1)) {
36638     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_SetId" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
36639    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); ecode2 = SWIG_AsVal_long(id, &val2);
36640   if (!SWIG_IsOK(ecode2)) {
36641     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBResidueAtomIter_SetId" "', argument " "2"" of type '" "unsigned long""'"); }
36642     arg2 = static_cast< unsigned long >(val2); (*arg1)->SetId(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
36643   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_SetHyb(SEXP self,SEXP hyb)36644 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_SetHyb ( SEXP self, SEXP hyb) {
36645   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
36646   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36647   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36648     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_SetHyb" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
36649    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); arg2 = static_cast< int >(INTEGER(hyb)[0]);
36650   (*arg1)->SetHyb(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_SetAtomicNum(SEXP self,SEXP atomicnum)36651 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_SetAtomicNum ( SEXP self, SEXP atomicnum) {
36652   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
36653   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36654   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36655     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_SetAtomicNum" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
36656    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); arg2 = static_cast< int >(INTEGER(atomicnum)[0]);
36657   (*arg1)->SetAtomicNum(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_SetIsotope(SEXP self,SEXP iso)36658 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_SetIsotope ( SEXP self, SEXP iso) {
36659   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
36660   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36661   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36662     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_SetIsotope" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
36663    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); ecode2 = SWIG_AsVal_int(iso, &val2);
36664   if (!SWIG_IsOK(ecode2)) {
36665     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBResidueAtomIter_SetIsotope" "', argument " "2"" of type '" "unsigned int""'"); }
36666     arg2 = static_cast< unsigned int >(val2); (*arg1)->SetIsotope(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
36667   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_SetImplicitValence(SEXP self,SEXP val)36668 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_SetImplicitValence ( SEXP self, SEXP val) {
36669   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
36670   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36671   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36672     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_SetImplicitValence" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
36673    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); arg2 = static_cast< int >(INTEGER(val)[0]);
36674   (*arg1)->SetImplicitValence(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
36675   return r_ans; }
R_swig_OBResidueAtomIter_IncrementImplicitValence(SEXP self)36676 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_IncrementImplicitValence ( SEXP self) {
36677   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36678   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36679   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36680     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_IncrementImplicitValence" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
36681    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); (*arg1)->IncrementImplicitValence(); r_ans = R_NilValue;
36682   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_DecrementImplicitValence(SEXP self)36683 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_DecrementImplicitValence ( SEXP self) {
36684   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36685   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36686   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36687     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_DecrementImplicitValence" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
36688    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); (*arg1)->DecrementImplicitValence(); r_ans = R_NilValue;
36689   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_SetFormalCharge(SEXP self,SEXP fcharge)36690 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_SetFormalCharge ( SEXP self, SEXP fcharge) {
36691   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
36692   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36693   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36694     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_SetFormalCharge" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
36695    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); arg2 = static_cast< int >(INTEGER(fcharge)[0]);
36696   (*arg1)->SetFormalCharge(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_SetSpinMultiplicity(SEXP self,SEXP spin)36697 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_SetSpinMultiplicity ( SEXP self, SEXP spin) {
36698   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; short arg2 ; void *argp1 = 0 ; int res1 = 0 ;
36699   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36700   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36701     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_SetSpinMultiplicity" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
36702    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); ecode2 = SWIG_AsVal_int(spin, &val2);
36703   if (!SWIG_IsOK(ecode2)) {
36704     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBResidueAtomIter_SetSpinMultiplicity" "', argument " "2"" of type '" "short""'"); }
36705     arg2 = static_cast< short >(val2); (*arg1)->SetSpinMultiplicity(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
36706   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_SetType(SEXP self,SEXP type)36707 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_SetType ( SEXP self, SEXP type) {
36708   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ;
36709   int res1 = 0 ; int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36710   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36711     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_SetType" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
36712    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); { std::string *ptr = (std::string *)0;
36713     res2 = SWIG_AsPtr_std_string(type, &ptr); if (!SWIG_IsOK(res2)) {
36714       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_SetType" "', argument " "2"" of type '" "std::string const &""'"); }
36715      if (!ptr) {
36716       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueAtomIter_SetType" "', argument " "2"" of type '" "std::string const &""'"); }
36717      arg2 = ptr; }  (*arg1)->SetType((std::string const &)*arg2); r_ans = R_NilValue; if (SWIG_IsNewObj(res2)) delete arg2;
36718   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_SetPartialCharge(SEXP self,SEXP pcharge)36719 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_SetPartialCharge ( SEXP self, SEXP pcharge) {
36720   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; double arg2 ; void *argp1 = 0 ; int res1 = 0 ;
36721   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36722   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36723     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_SetPartialCharge" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
36724    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); arg2 = static_cast< double >(REAL(pcharge)[0]);
36725   (*arg1)->SetPartialCharge(arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_SetVector__SWIG_0(SEXP self,SEXP v)36726 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_SetVector__SWIG_0 ( SEXP self, SEXP v) {
36727   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; OpenBabel::vector3 *arg2 = 0 ; void *argp1 = 0 ;
36728   int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
36729   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 );
36730   if (!SWIG_IsOK(res1)) {
36731     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_SetVector" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
36732    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1);
36733   res2 = SWIG_R_ConvertPtr(v, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
36734     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_SetVector" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'");  }
36735    if (!argp2) {
36736     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueAtomIter_SetVector" "', argument " "2"" of type '" "OpenBabel::vector3 const &""'"); }
36737    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2); (*arg1)->SetVector((OpenBabel::vector3 const &)*arg2);
36738   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_SetVector__SWIG_1(SEXP self,SEXP x,SEXP y,SEXP z)36739 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_SetVector__SWIG_1 ( SEXP self, SEXP x, SEXP y, SEXP z) {
36740   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; double arg2 ; double arg3 ; double arg4 ;
36741   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36742   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36743     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_SetVector" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
36744    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); arg2 = static_cast< double >(REAL(x)[0]);
36745   arg3 = static_cast< double >(REAL(y)[0]); arg4 = static_cast< double >(REAL(z)[0]); (*arg1)->SetVector(arg2,arg3,arg4);
36746   r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_SetVector__SWIG_2(SEXP self)36747 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_SetVector__SWIG_2 ( SEXP self) {
36748   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36749   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36750   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36751     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_SetVector" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
36752    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); (*arg1)->SetVector(); r_ans = R_NilValue; vmaxset(r_vmax);
36753   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_SetCoordPtr(SEXP self,SEXP c)36754 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_SetCoordPtr ( SEXP self, SEXP c) {
36755   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; double **arg2 = (double **) 0 ; void *argp1 = 0 ;
36756   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
36757   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 );
36758   if (!SWIG_IsOK(res1)) {
36759     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_SetCoordPtr" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
36760    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1);
36761   res2 = SWIG_R_ConvertPtr(c, &argp2, SWIGTYPE_p_p_double, 0 |  0 ); if (!SWIG_IsOK(res2)) {
36762     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_SetCoordPtr" "', argument " "2"" of type '" "double **""'");  }
36763    arg2 = reinterpret_cast< double ** >(argp2); (*arg1)->SetCoordPtr(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
36764   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_SetResidue(SEXP self,SEXP res)36765 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_SetResidue ( SEXP self, SEXP res) {
36766   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ;
36767   OpenBabel::OBResidue *arg2 = (OpenBabel::OBResidue *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
36768   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36769   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36770     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_SetResidue" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
36771    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1);
36772   res2 = SWIG_R_ConvertPtr(res, &argp2, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 ); if (!SWIG_IsOK(res2)) {
36773     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_SetResidue" "', argument " "2"" of type '" "OpenBabel::OBResidue *""'");  }
36774    arg2 = reinterpret_cast< OpenBabel::OBResidue * >(argp2); (*arg1)->SetResidue(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
36775   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_SetParent(SEXP self,SEXP ptr)36776 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_SetParent ( SEXP self, SEXP ptr) {
36777   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ;
36778   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
36779   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 );
36780   if (!SWIG_IsOK(res1)) {
36781     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_SetParent" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
36782    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1);
36783   res2 = SWIG_R_ConvertPtr(ptr, &argp2, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res2)) {
36784     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_SetParent" "', argument " "2"" of type '" "OpenBabel::OBMol *""'");  }
36785    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); (*arg1)->SetParent(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
36786   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_SetAromatic(SEXP self)36787 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_SetAromatic ( SEXP self) {
36788   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36789   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36790   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36791     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_SetAromatic" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
36792    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); (*arg1)->SetAromatic(); r_ans = R_NilValue;
36793   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_UnsetAromatic(SEXP self)36794 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_UnsetAromatic ( SEXP self) {
36795   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36796   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36797   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36798     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_UnsetAromatic" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
36799    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); (*arg1)->UnsetAromatic(); r_ans = R_NilValue;
36800   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_SetClockwiseStereo(SEXP self)36801 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_SetClockwiseStereo ( SEXP self) {
36802   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36803   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36804   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36805     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_SetClockwiseStereo" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
36806    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); (*arg1)->SetClockwiseStereo(); r_ans = R_NilValue;
36807   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_SetAntiClockwiseStereo(SEXP self)36808 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_SetAntiClockwiseStereo ( SEXP self) {
36809   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36810   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36811   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36812     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_SetAntiClockwiseStereo" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
36813    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); (*arg1)->SetAntiClockwiseStereo(); r_ans = R_NilValue;
36814   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_SetPositiveStereo(SEXP self)36815 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_SetPositiveStereo ( SEXP self) {
36816   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36817   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36818   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36819     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_SetPositiveStereo" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
36820    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); (*arg1)->SetPositiveStereo(); r_ans = R_NilValue;
36821   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_SetNegativeStereo(SEXP self)36822 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_SetNegativeStereo ( SEXP self) {
36823   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36824   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36825   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36826     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_SetNegativeStereo" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
36827    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); (*arg1)->SetNegativeStereo(); r_ans = R_NilValue;
36828   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_UnsetStereo(SEXP self)36829 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_UnsetStereo ( SEXP self) {
36830   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36831   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36832   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36833     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_UnsetStereo" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
36834    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); (*arg1)->UnsetStereo(); r_ans = R_NilValue;
36835   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_SetInRing(SEXP self)36836 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_SetInRing ( SEXP self) {
36837   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36838   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36839   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36840     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_SetInRing" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
36841    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); (*arg1)->SetInRing(); r_ans = R_NilValue; vmaxset(r_vmax);
36842   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_SetChiral(SEXP self)36843 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_SetChiral ( SEXP self) {
36844   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36845   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36846   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36847     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_SetChiral" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
36848    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); (*arg1)->SetChiral(); r_ans = R_NilValue; vmaxset(r_vmax);
36849   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_ClearCoordPtr(SEXP self)36850 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_ClearCoordPtr ( SEXP self) {
36851   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36852   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36853   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36854     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_ClearCoordPtr" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
36855    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); (*arg1)->ClearCoordPtr(); r_ans = R_NilValue;
36856   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_GetFormalCharge(SEXP self,SEXP s_swig_copy)36857 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_GetFormalCharge ( SEXP self, SEXP s_swig_copy) { int result;
36858   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36859   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36860   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36861     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetFormalCharge" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const *""'");  }
36862    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (int)(*arg1)->GetFormalCharge();
36863   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_GetAtomicNum(SEXP self,SEXP s_swig_copy)36864 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_GetAtomicNum ( SEXP self, SEXP s_swig_copy) { unsigned int result;
36865   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36866   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36867   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36868     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetAtomicNum" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const *""'");  }
36869    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (unsigned int)(*arg1)->GetAtomicNum();
36870   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_GetIsotope(SEXP self,SEXP s_swig_copy)36871 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_GetIsotope ( SEXP self, SEXP s_swig_copy) { unsigned short result;
36872   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36873   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36874   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36875     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetIsotope" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const *""'");  }
36876    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (unsigned short)(*arg1)->GetIsotope();
36877   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_GetSpinMultiplicity(SEXP self,SEXP s_swig_copy)36878 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_GetSpinMultiplicity ( SEXP self, SEXP s_swig_copy) { int result;
36879   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36880   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36881   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36882     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetSpinMultiplicity" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const *""'");  }
36883    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (int)(*arg1)->GetSpinMultiplicity();
36884   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_GetAtomicMass(SEXP self,SEXP s_swig_copy)36885 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_GetAtomicMass ( SEXP self, SEXP s_swig_copy) { double result;
36886   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36887   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36888   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36889     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetAtomicMass" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const *""'");  }
36890    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (double)(*arg1)->GetAtomicMass();
36891   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
36892   return r_ans; }
R_swig_OBResidueAtomIter_GetExactMass(SEXP self,SEXP s_swig_copy)36893 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_GetExactMass ( SEXP self, SEXP s_swig_copy) { double result;
36894   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36895   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36896   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36897     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetExactMass" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const *""'");  }
36898    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (double)(*arg1)->GetExactMass();
36899   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
36900   return r_ans; }
R_swig_OBResidueAtomIter_GetIdx(SEXP self,SEXP s_swig_copy)36901 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_GetIdx ( SEXP self, SEXP s_swig_copy) { unsigned int result;
36902   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36903   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36904   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36905     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetIdx" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const *""'");  }
36906    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (unsigned int)(*arg1)->GetIdx();
36907   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_GetIndex(SEXP self,SEXP s_swig_copy)36908 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_GetIndex ( SEXP self, SEXP s_swig_copy) { unsigned int result;
36909   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36910   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36911   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36912     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetIndex" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const *""'");  }
36913    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (unsigned int)(*arg1)->GetIndex();
36914   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_GetId(SEXP self,SEXP s_swig_copy)36915 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_GetId ( SEXP self, SEXP s_swig_copy) { unsigned long result;
36916   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36917   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36918   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36919     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetId" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const *""'");  }
36920    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (unsigned long)(*arg1)->GetId();
36921   r_ans = SWIG_From_long(static_cast< long >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_GetCoordinateIdx(SEXP self,SEXP s_swig_copy)36922 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_GetCoordinateIdx ( SEXP self, SEXP s_swig_copy) { unsigned int result;
36923   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36924   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36925   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36926     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetCoordinateIdx" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const *""'");  }
36927    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (unsigned int)(*arg1)->GetCoordinateIdx();
36928   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_GetCIdx(SEXP self,SEXP s_swig_copy)36929 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_GetCIdx ( SEXP self, SEXP s_swig_copy) { unsigned int result;
36930   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36931   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36932   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36933     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetCIdx" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const *""'");  }
36934    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (unsigned int)(*arg1)->GetCIdx();
36935   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_GetValence(SEXP self,SEXP s_swig_copy)36936 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_GetValence ( SEXP self, SEXP s_swig_copy) { unsigned int result;
36937   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36938   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36939   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36940     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetValence" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const *""'");  }
36941    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (unsigned int)(*arg1)->GetValence();
36942   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_GetHyb(SEXP self,SEXP s_swig_copy)36943 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_GetHyb ( SEXP self, SEXP s_swig_copy) { unsigned int result;
36944   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36945   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36946   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36947     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetHyb" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const *""'");  }
36948    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (unsigned int)(*arg1)->GetHyb();
36949   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_GetImplicitValence(SEXP self,SEXP s_swig_copy)36950 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_GetImplicitValence ( SEXP self, SEXP s_swig_copy) { unsigned int result;
36951   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36952   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36953   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36954     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetImplicitValence" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const *""'");  }
36955    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (unsigned int)(*arg1)->GetImplicitValence();
36956   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_GetHvyValence(SEXP self,SEXP s_swig_copy)36957 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_GetHvyValence ( SEXP self, SEXP s_swig_copy) { unsigned int result;
36958   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36959   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36960   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36961     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetHvyValence" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const *""'");  }
36962    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (unsigned int)(*arg1)->GetHvyValence();
36963   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_GetHeteroValence(SEXP self,SEXP s_swig_copy)36964 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_GetHeteroValence ( SEXP self, SEXP s_swig_copy) { unsigned int result;
36965   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36966   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36967   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36968     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetHeteroValence" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const *""'");  }
36969    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (unsigned int)(*arg1)->GetHeteroValence();
36970   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_GetType(SEXP self)36971 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_GetType ( SEXP self) { char *result = 0 ;
36972   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36973   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36974   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36975     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetType" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
36976    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (char *)(*arg1)->GetType();
36977   r_ans = result ? Rf_mkString(reinterpret_cast< char * >(result)) : R_NilValue; vmaxset(r_vmax);
36978   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_GetX(SEXP self,SEXP s_swig_copy)36979 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_GetX ( SEXP self, SEXP s_swig_copy) { double result;
36980   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36981   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36982   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36983     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetX" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const *""'");  }
36984    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (double)(*arg1)->GetX();
36985   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
36986   return r_ans; }
R_swig_OBResidueAtomIter_GetY(SEXP self,SEXP s_swig_copy)36987 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_GetY ( SEXP self, SEXP s_swig_copy) { double result;
36988   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36989   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36990   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36991     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetY" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const *""'");  }
36992    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (double)(*arg1)->GetY();
36993   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
36994   return r_ans; }
R_swig_OBResidueAtomIter_GetZ(SEXP self,SEXP s_swig_copy)36995 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_GetZ ( SEXP self, SEXP s_swig_copy) { double result;
36996   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
36997   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
36998   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
36999     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetZ" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const *""'");  }
37000    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (double)(*arg1)->GetZ();
37001   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
37002   return r_ans; }
R_swig_OBResidueAtomIter_x(SEXP self,SEXP s_swig_copy)37003 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_x ( SEXP self, SEXP s_swig_copy) { double result;
37004   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37005   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37006   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37007     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_x" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const *""'");  }
37008    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (double)(*arg1)->x();
37009   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
37010   return r_ans; }
R_swig_OBResidueAtomIter_y(SEXP self,SEXP s_swig_copy)37011 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_y ( SEXP self, SEXP s_swig_copy) { double result;
37012   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37013   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37014   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37015     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_y" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const *""'");  }
37016    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (double)(*arg1)->y();
37017   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
37018   return r_ans; }
R_swig_OBResidueAtomIter_z(SEXP self,SEXP s_swig_copy)37019 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_z ( SEXP self, SEXP s_swig_copy) { double result;
37020   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37021   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37022   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37023     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_z" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const *""'");  }
37024    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (double)(*arg1)->z();
37025   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
37026   return r_ans; }
R_swig_OBResidueAtomIter_GetCoordinate(SEXP self)37027 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_GetCoordinate ( SEXP self) { double *result = 0 ;
37028   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37029   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37030   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37031     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetCoordinate" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37032    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (double *)(*arg1)->GetCoordinate();
37033   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_double, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
37034   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_GetVector(SEXP self,SEXP s_swig_copy)37035 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_GetVector ( SEXP self, SEXP s_swig_copy) { OpenBabel::vector3 *result = 0 ;
37036   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37037   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37038   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37039     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetVector" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37040    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (OpenBabel::vector3 *) &(*arg1)->GetVector();
37041   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__vector3, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
37042   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_GetPartialCharge(SEXP self,SEXP s_swig_copy)37043 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_GetPartialCharge ( SEXP self, SEXP s_swig_copy) { double result;
37044   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37045   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37046   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37047     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetPartialCharge" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37048    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (double)(*arg1)->GetPartialCharge();
37049   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
37050   return r_ans; }
R_swig_OBResidueAtomIter_GetResidue__SWIG_0(SEXP self)37051 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_GetResidue__SWIG_0 ( SEXP self) { OpenBabel::OBResidue *result = 0 ;
37052   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37053   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37054   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37055     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetResidue" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37056    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (OpenBabel::OBResidue *)(*arg1)->GetResidue();
37057   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBResidue, R_SWIG_EXTERNAL |  0 );
37058   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_GetResidue__SWIG_1(SEXP self,SEXP perception)37059 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_GetResidue__SWIG_1 ( SEXP self, SEXP perception) { OpenBabel::OBResidue *result = 0 ;
37060   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
37061   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37062   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37063     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetResidue" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37064    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); arg2 = LOGICAL(perception)[0] ? true : false;
37065   result = (OpenBabel::OBResidue *)(*arg1)->GetResidue(arg2);
37066   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBResidue, R_SWIG_EXTERNAL |  0 );
37067   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_GetParent(SEXP self)37068 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_GetParent ( SEXP self) { OpenBabel::OBMol *result = 0 ;
37069   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37070   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37071   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37072     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetParent" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37073    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (OpenBabel::OBMol *)(*arg1)->GetParent();
37074   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMol, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
37075   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_GetNewBondVector(SEXP self,SEXP v,SEXP length,SEXP s_swig_copy)37076 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_GetNewBondVector ( SEXP self, SEXP v, SEXP length, SEXP s_swig_copy) { bool result;
37077   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; OpenBabel::vector3 *arg2 = 0 ; double arg3 ;
37078   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
37079   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 );
37080   if (!SWIG_IsOK(res1)) {
37081     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetNewBondVector" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37082    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1);
37083   res2 = SWIG_R_ConvertPtr(v, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
37084     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_GetNewBondVector" "', argument " "2"" of type '" "OpenBabel::vector3 &""'");  }
37085    if (!argp2) {
37086     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueAtomIter_GetNewBondVector" "', argument " "2"" of type '" "OpenBabel::vector3 &""'"); }
37087    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2); arg3 = static_cast< double >(REAL(length)[0]);
37088   result = (bool)(*arg1)->GetNewBondVector(*arg2,arg3); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
37089   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_GetBond(SEXP self,SEXP s_arg2)37090 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_GetBond ( SEXP self, SEXP s_arg2) { OpenBabel::OBBond *result = 0 ;
37091   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
37092   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
37093   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 );
37094   if (!SWIG_IsOK(res1)) {
37095     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetBond" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37096    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1);
37097   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
37098     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_GetBond" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
37099    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (OpenBabel::OBBond *)(*arg1)->GetBond(arg2);
37100   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
37101   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_GetNextAtom(SEXP self)37102 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_GetNextAtom ( SEXP self) { OpenBabel::OBAtom *result = 0 ;
37103   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37104   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37105   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37106     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetNextAtom" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37107    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (OpenBabel::OBAtom *)(*arg1)->GetNextAtom();
37108   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
37109   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_BeginBonds(SEXP self,SEXP s_swig_copy)37110 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_BeginBonds ( SEXP self, SEXP s_swig_copy) {
37111   SwigValueWrapper< std::vector< OpenBabel::OBBond *,std::allocator< OpenBabel::OBBond * > >::iterator > result;
37112   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37113   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37114   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37115     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_BeginBonds" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37116    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (*arg1)->BeginBonds();
37117   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBBondIterator(static_cast< const OpenBabel::OBBondIterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
37118   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_EndBonds(SEXP self,SEXP s_swig_copy)37119 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_EndBonds ( SEXP self, SEXP s_swig_copy) {
37120   SwigValueWrapper< std::vector< OpenBabel::OBBond *,std::allocator< OpenBabel::OBBond * > >::iterator > result;
37121   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37122   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37123   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37124     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_EndBonds" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37125    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (*arg1)->EndBonds();
37126   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBBondIterator(static_cast< const OpenBabel::OBBondIterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
37127   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_BeginBond(SEXP self,SEXP i)37128 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_BeginBond ( SEXP self, SEXP i) { OpenBabel::OBBond *result = 0 ;
37129   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; OpenBabel::OBBondIterator *arg2 = 0 ;
37130   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
37131   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 );
37132   if (!SWIG_IsOK(res1)) {
37133     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_BeginBond" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37134    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1);
37135   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator,  0 );
37136   if (!SWIG_IsOK(res2)) {
37137     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_BeginBond" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'");  }
37138    if (!argp2) {
37139     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueAtomIter_BeginBond" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'"); }
37140    arg2 = reinterpret_cast< OpenBabel::OBBondIterator * >(argp2); result = (OpenBabel::OBBond *)(*arg1)->BeginBond(*arg2);
37141   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
37142   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_NextBond(SEXP self,SEXP i)37143 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_NextBond ( SEXP self, SEXP i) { OpenBabel::OBBond *result = 0 ;
37144   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; OpenBabel::OBBondIterator *arg2 = 0 ;
37145   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
37146   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 );
37147   if (!SWIG_IsOK(res1)) {
37148     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_NextBond" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37149    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1);
37150   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator,  0 );
37151   if (!SWIG_IsOK(res2)) {
37152     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_NextBond" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'");  }
37153    if (!argp2) {
37154     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueAtomIter_NextBond" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'"); }
37155    arg2 = reinterpret_cast< OpenBabel::OBBondIterator * >(argp2); result = (OpenBabel::OBBond *)(*arg1)->NextBond(*arg2);
37156   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBond, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
37157   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_BeginNbrAtom(SEXP self,SEXP i)37158 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_BeginNbrAtom ( SEXP self, SEXP i) { OpenBabel::OBAtom *result = 0 ;
37159   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; OpenBabel::OBBondIterator *arg2 = 0 ;
37160   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
37161   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 );
37162   if (!SWIG_IsOK(res1)) {
37163     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_BeginNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37164    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1);
37165   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator,  0 );
37166   if (!SWIG_IsOK(res2)) {
37167     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_BeginNbrAtom" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'");  }
37168    if (!argp2) {
37169     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueAtomIter_BeginNbrAtom" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'"); }
37170    arg2 = reinterpret_cast< OpenBabel::OBBondIterator * >(argp2); result = (OpenBabel::OBAtom *)(*arg1)->BeginNbrAtom(*arg2);
37171   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
37172   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_NextNbrAtom(SEXP self,SEXP i)37173 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_NextNbrAtom ( SEXP self, SEXP i) { OpenBabel::OBAtom *result = 0 ;
37174   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; OpenBabel::OBBondIterator *arg2 = 0 ;
37175   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
37176   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 );
37177   if (!SWIG_IsOK(res1)) {
37178     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_NextNbrAtom" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37179    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1);
37180   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator,  0 );
37181   if (!SWIG_IsOK(res2)) {
37182     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_NextNbrAtom" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'");  }
37183    if (!argp2) {
37184     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueAtomIter_NextNbrAtom" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'"); }
37185    arg2 = reinterpret_cast< OpenBabel::OBBondIterator * >(argp2); result = (OpenBabel::OBAtom *)(*arg1)->NextNbrAtom(*arg2);
37186   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBAtom, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
37187   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_GetDistance__SWIG_0(SEXP self,SEXP index,SEXP s_swig_copy)37188 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_GetDistance__SWIG_0 ( SEXP self, SEXP index, SEXP s_swig_copy) { double result;
37189   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
37190   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37191   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37192     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetDistance" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37193    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); arg2 = static_cast< int >(INTEGER(index)[0]);
37194   result = (double)(*arg1)->GetDistance(arg2); r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax);
37195   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_GetDistance__SWIG_1(SEXP self,SEXP s_arg2,SEXP s_swig_copy)37196 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_GetDistance__SWIG_1 ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { double result;
37197   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
37198   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
37199   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 );
37200   if (!SWIG_IsOK(res1)) {
37201     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetDistance" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37202    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1);
37203   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
37204     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_GetDistance" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
37205    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (double)(*arg1)->GetDistance(arg2);
37206   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
37207   return r_ans; }
R_swig_OBResidueAtomIter_GetDistance__SWIG_2(SEXP self,SEXP v,SEXP s_swig_copy)37208 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_GetDistance__SWIG_2 ( SEXP self, SEXP v, SEXP s_swig_copy) { double result;
37209   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ;
37210   OpenBabel::vector3 *arg2 = (OpenBabel::vector3 *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
37211   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37212   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37213     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetDistance" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37214    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1);
37215   res2 = SWIG_R_ConvertPtr(v, &argp2, SWIGTYPE_p_OpenBabel__vector3, 0 |  0 ); if (!SWIG_IsOK(res2)) {
37216     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_GetDistance" "', argument " "2"" of type '" "OpenBabel::vector3 *""'");  }
37217    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2); result = (double)(*arg1)->GetDistance(arg2);
37218   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
37219   return r_ans; }
R_swig_OBResidueAtomIter_GetAngle__SWIG_0(SEXP self,SEXP b,SEXP c,SEXP s_swig_copy)37220 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_GetAngle__SWIG_0 ( SEXP self, SEXP b, SEXP c, SEXP s_swig_copy) { double result;
37221   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; int arg2 ; int arg3 ; void *argp1 = 0 ;
37222   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37223   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37224     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetAngle" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37225    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); arg2 = static_cast< int >(INTEGER(b)[0]);
37226   arg3 = static_cast< int >(INTEGER(c)[0]); result = (double)(*arg1)->GetAngle(arg2,arg3);
37227   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
37228   return r_ans; }
R_swig_OBResidueAtomIter_GetAngle__SWIG_1(SEXP self,SEXP b,SEXP c,SEXP s_swig_copy)37229 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_GetAngle__SWIG_1 ( SEXP self, SEXP b, SEXP c, SEXP s_swig_copy) { double result;
37230   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
37231   OpenBabel::OBAtom *arg3 = (OpenBabel::OBAtom *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
37232   void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37233   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37234     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetAngle" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37235    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1);
37236   res2 = SWIG_R_ConvertPtr(b, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
37237     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_GetAngle" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
37238    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2);
37239   res3 = SWIG_R_ConvertPtr(c, &argp3, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res3)) {
37240     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBResidueAtomIter_GetAngle" "', argument " "3"" of type '" "OpenBabel::OBAtom *""'");  }
37241    arg3 = reinterpret_cast< OpenBabel::OBAtom * >(argp3); result = (double)(*arg1)->GetAngle(arg2,arg3);
37242   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
37243   return r_ans; }
R_swig_OBResidueAtomIter_NewResidue(SEXP self)37244 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_NewResidue ( SEXP self) {
37245   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37246   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37247   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37248     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_NewResidue" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37249    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); (*arg1)->NewResidue(); r_ans = R_NilValue; vmaxset(r_vmax);
37250   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_AddResidue(SEXP self,SEXP res)37251 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_AddResidue ( SEXP self, SEXP res) {
37252   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ;
37253   OpenBabel::OBResidue *arg2 = (OpenBabel::OBResidue *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
37254   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37255   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37256     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_AddResidue" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37257    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1);
37258   res2 = SWIG_R_ConvertPtr(res, &argp2, SWIGTYPE_p_OpenBabel__OBResidue, 0 |  0 ); if (!SWIG_IsOK(res2)) {
37259     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_AddResidue" "', argument " "2"" of type '" "OpenBabel::OBResidue *""'");  }
37260    arg2 = reinterpret_cast< OpenBabel::OBResidue * >(argp2); (*arg1)->AddResidue(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
37261   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_DeleteResidue(SEXP self)37262 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_DeleteResidue ( SEXP self) {
37263   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37264   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37265   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37266     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_DeleteResidue" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37267    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); (*arg1)->DeleteResidue(); r_ans = R_NilValue;
37268   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_AddBond(SEXP self,SEXP bond)37269 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_AddBond ( SEXP self, SEXP bond) {
37270   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; OpenBabel::OBBond *arg2 = (OpenBabel::OBBond *) 0 ;
37271   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
37272   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 );
37273   if (!SWIG_IsOK(res1)) {
37274     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_AddBond" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37275    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1);
37276   res2 = SWIG_R_ConvertPtr(bond, &argp2, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res2)) {
37277     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_AddBond" "', argument " "2"" of type '" "OpenBabel::OBBond *""'");  }
37278    arg2 = reinterpret_cast< OpenBabel::OBBond * >(argp2); (*arg1)->AddBond(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
37279   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_InsertBond(SEXP self,SEXP i,SEXP bond)37280 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_InsertBond ( SEXP self, SEXP i, SEXP bond) {
37281   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; OpenBabel::OBBondIterator *arg2 = 0 ;
37282   OpenBabel::OBBond *arg3 = (OpenBabel::OBBond *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ;
37283   void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37284   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37285     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_InsertBond" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37286    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1);
37287   res2 = SWIG_R_ConvertPtr(i, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator,  0 );
37288   if (!SWIG_IsOK(res2)) {
37289     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_InsertBond" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'");  }
37290    if (!argp2) {
37291     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueAtomIter_InsertBond" "', argument " "2"" of type '" "OpenBabel::OBBondIterator &""'"); }
37292    arg2 = reinterpret_cast< OpenBabel::OBBondIterator * >(argp2);
37293   res3 = SWIG_R_ConvertPtr(bond, &argp3, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res3)) {
37294     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBResidueAtomIter_InsertBond" "', argument " "3"" of type '" "OpenBabel::OBBond *""'");  }
37295    arg3 = reinterpret_cast< OpenBabel::OBBond * >(argp3); (*arg1)->InsertBond(*arg2,arg3); r_ans = R_NilValue; vmaxset(r_vmax);
37296   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_DeleteBond(SEXP self,SEXP bond,SEXP s_swig_copy)37297 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_DeleteBond ( SEXP self, SEXP bond, SEXP s_swig_copy) { bool result;
37298   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; OpenBabel::OBBond *arg2 = (OpenBabel::OBBond *) 0 ;
37299   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
37300   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 );
37301   if (!SWIG_IsOK(res1)) {
37302     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_DeleteBond" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37303    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1);
37304   res2 = SWIG_R_ConvertPtr(bond, &argp2, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res2)) {
37305     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_DeleteBond" "', argument " "2"" of type '" "OpenBabel::OBBond *""'");  }
37306    arg2 = reinterpret_cast< OpenBabel::OBBond * >(argp2); result = (bool)(*arg1)->DeleteBond(arg2);
37307   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_ClearBond(SEXP self)37308 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_ClearBond ( SEXP self) {
37309   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37310   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37311   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37312     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_ClearBond" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37313    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); (*arg1)->ClearBond(); r_ans = R_NilValue; vmaxset(r_vmax);
37314   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_HtoMethyl(SEXP self,SEXP s_swig_copy)37315 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_HtoMethyl ( SEXP self, SEXP s_swig_copy) { bool result;
37316   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37317   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37318   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37319     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_HtoMethyl" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37320    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (bool)(*arg1)->HtoMethyl();
37321   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_SetHybAndGeom(SEXP self,SEXP s_arg2,SEXP s_swig_copy)37322 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_SetHybAndGeom ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
37323   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
37324   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37325   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37326     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_SetHybAndGeom" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37327    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
37328   result = (bool)(*arg1)->SetHybAndGeom(arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
37329   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_ForceNoH(SEXP self)37330 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_ForceNoH ( SEXP self) {
37331   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37332   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37333   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37334     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_ForceNoH" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37335    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); (*arg1)->ForceNoH(); r_ans = R_NilValue; vmaxset(r_vmax);
37336   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_HasNoHForced(SEXP self,SEXP s_swig_copy)37337 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_HasNoHForced ( SEXP self, SEXP s_swig_copy) { bool result;
37338   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37339   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37340   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37341     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_HasNoHForced" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37342    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (bool)(*arg1)->HasNoHForced();
37343   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_ForceImplH(SEXP self)37344 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_ForceImplH ( SEXP self) {
37345   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37346   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37347   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37348     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_ForceImplH" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37349    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); (*arg1)->ForceImplH(); r_ans = R_NilValue; vmaxset(r_vmax);
37350   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_HasImplHForced(SEXP self,SEXP s_swig_copy)37351 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_HasImplHForced ( SEXP self, SEXP s_swig_copy) { bool result;
37352   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37353   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37354   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37355     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_HasImplHForced" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37356    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (bool)(*arg1)->HasImplHForced();
37357   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_CountFreeOxygens(SEXP self,SEXP s_swig_copy)37358 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_CountFreeOxygens ( SEXP self, SEXP s_swig_copy) { unsigned int result;
37359   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37360   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37361   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37362     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_CountFreeOxygens" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const *""'");  }
37363    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (unsigned int)(*arg1)->CountFreeOxygens();
37364   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_CountFreeSulfurs(SEXP self,SEXP s_swig_copy)37365 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_CountFreeSulfurs ( SEXP self, SEXP s_swig_copy) { unsigned int result;
37366   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37367   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37368   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37369     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_CountFreeSulfurs" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const *""'");  }
37370    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (unsigned int)(*arg1)->CountFreeSulfurs();
37371   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_ImplicitHydrogenCount(SEXP self,SEXP s_swig_copy)37372 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_ImplicitHydrogenCount ( SEXP self, SEXP s_swig_copy) { unsigned int result;
37373   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37374   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37375   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37376     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_ImplicitHydrogenCount" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const *""'");  }
37377    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (unsigned int)(*arg1)->ImplicitHydrogenCount();
37378   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_ExplicitHydrogenCount__SWIG_0(SEXP self,SEXP ExcludeIsotopes,SEXP s_swig_copy)37379 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_ExplicitHydrogenCount__SWIG_0 ( SEXP self, SEXP ExcludeIsotopes, SEXP s_swig_copy) {
37380   unsigned int result; OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; bool arg2 ; void *argp1 = 0 ;
37381   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37382   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37383     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_ExplicitHydrogenCount" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const *""'");  }
37384    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); arg2 = LOGICAL(ExcludeIsotopes)[0] ? true : false;
37385   result = (unsigned int)(*arg1)->ExplicitHydrogenCount(arg2); r_ans = SWIG_From_int(static_cast< int >(result));
37386   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_ExplicitHydrogenCount__SWIG_1(SEXP self,SEXP s_swig_copy)37387 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_ExplicitHydrogenCount__SWIG_1 ( SEXP self, SEXP s_swig_copy) { unsigned int result;
37388   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37389   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37390   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37391     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_ExplicitHydrogenCount" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const *""'");  }
37392    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (unsigned int)(*arg1)->ExplicitHydrogenCount();
37393   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_MemberOfRingCount(SEXP self,SEXP s_swig_copy)37394 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_MemberOfRingCount ( SEXP self, SEXP s_swig_copy) { unsigned int result;
37395   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37396   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37397   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37398     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_MemberOfRingCount" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const *""'");  }
37399    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (unsigned int)(*arg1)->MemberOfRingCount();
37400   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_MemberOfRingSize(SEXP self,SEXP s_swig_copy)37401 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_MemberOfRingSize ( SEXP self, SEXP s_swig_copy) { unsigned int result;
37402   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37403   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37404   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37405     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_MemberOfRingSize" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const *""'");  }
37406    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (unsigned int)(*arg1)->MemberOfRingSize();
37407   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_CountRingBonds(SEXP self,SEXP s_swig_copy)37408 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_CountRingBonds ( SEXP self, SEXP s_swig_copy) { unsigned int result;
37409   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37410   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37411   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37412     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_CountRingBonds" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const *""'");  }
37413    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (unsigned int)(*arg1)->CountRingBonds();
37414   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_SmallestBondAngle(SEXP self,SEXP s_swig_copy)37415 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_SmallestBondAngle ( SEXP self, SEXP s_swig_copy) { double result;
37416   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37417   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37418   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37419     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_SmallestBondAngle" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37420    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (double)(*arg1)->SmallestBondAngle();
37421   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
37422   return r_ans; }
R_swig_OBResidueAtomIter_AverageBondAngle(SEXP self,SEXP s_swig_copy)37423 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_AverageBondAngle ( SEXP self, SEXP s_swig_copy) { double result;
37424   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37425   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37426   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37427     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_AverageBondAngle" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37428    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (double)(*arg1)->AverageBondAngle();
37429   r_ans = SWIG_From_double(static_cast< double >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
37430   return r_ans; }
R_swig_OBResidueAtomIter_BOSum(SEXP self,SEXP s_swig_copy)37431 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_BOSum ( SEXP self, SEXP s_swig_copy) { unsigned int result;
37432   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37433   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37434   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37435     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_BOSum" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const *""'");  }
37436    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (unsigned int)(*arg1)->BOSum();
37437   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_KBOSum(SEXP self,SEXP s_swig_copy)37438 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_KBOSum ( SEXP self, SEXP s_swig_copy) { unsigned int result;
37439   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37440   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37441   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37442     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_KBOSum" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const *""'");  }
37443    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (unsigned int)(*arg1)->KBOSum();
37444   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_LewisAcidBaseCounts(SEXP self,SEXP s_swig_copy)37445 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_LewisAcidBaseCounts ( SEXP self, SEXP s_swig_copy) {
37446   SwigValueWrapper< std::pair< int,int > > result; OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ;
37447   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37448   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37449     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_LewisAcidBaseCounts" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const *""'");  }
37450    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (*arg1)->LewisAcidBaseCounts();
37451   r_ans = SWIG_R_NewPointerObj((new std::pair< int,int >(static_cast< const std::pair< int,int >& >(result))), SWIGTYPE_p_std__pairT_int_int_t, SWIG_POINTER_OWN |  0 );
37452   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_HasResidue(SEXP self,SEXP s_swig_copy)37453 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_HasResidue ( SEXP self, SEXP s_swig_copy) { bool result;
37454   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37455   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37456   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37457     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_HasResidue" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37458    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (bool)(*arg1)->HasResidue();
37459   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_IsCarbon(SEXP self,SEXP s_swig_copy)37460 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_IsCarbon ( SEXP self, SEXP s_swig_copy) { bool result;
37461   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37462   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37463   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37464     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_IsCarbon" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37465    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (bool)(*arg1)->IsCarbon();
37466   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_IsNitrogen(SEXP self,SEXP s_swig_copy)37467 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_IsNitrogen ( SEXP self, SEXP s_swig_copy) { bool result;
37468   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37469   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37470   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37471     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_IsNitrogen" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37472    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (bool)(*arg1)->IsNitrogen();
37473   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_IsOxygen(SEXP self,SEXP s_swig_copy)37474 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_IsOxygen ( SEXP self, SEXP s_swig_copy) { bool result;
37475   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37476   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37477   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37478     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_IsOxygen" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37479    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (bool)(*arg1)->IsOxygen();
37480   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_IsSulfur(SEXP self,SEXP s_swig_copy)37481 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_IsSulfur ( SEXP self, SEXP s_swig_copy) { bool result;
37482   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37483   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37484   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37485     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_IsSulfur" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37486    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (bool)(*arg1)->IsSulfur();
37487   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_IsPhosphorus(SEXP self,SEXP s_swig_copy)37488 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_IsPhosphorus ( SEXP self, SEXP s_swig_copy) { bool result;
37489   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37490   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37491   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37492     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_IsPhosphorus" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37493    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (bool)(*arg1)->IsPhosphorus();
37494   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_IsAromatic(SEXP self,SEXP s_swig_copy)37495 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_IsAromatic ( SEXP self, SEXP s_swig_copy) { bool result;
37496   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37497   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37498   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37499     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_IsAromatic" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const *""'");  }
37500    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (bool)(*arg1)->IsAromatic();
37501   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_IsInRing(SEXP self,SEXP s_swig_copy)37502 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_IsInRing ( SEXP self, SEXP s_swig_copy) { bool result;
37503   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37504   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37505   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37506     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_IsInRing" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const *""'");  }
37507    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (bool)(*arg1)->IsInRing();
37508   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_IsInRingSize(SEXP self,SEXP s_arg2,SEXP s_swig_copy)37509 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_IsInRingSize ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
37510   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
37511   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37512   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37513     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_IsInRingSize" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const *""'");  }
37514    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
37515   result = (bool)(*arg1)->IsInRingSize(arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
37516   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_IsHeteroatom(SEXP self,SEXP s_swig_copy)37517 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_IsHeteroatom ( SEXP self, SEXP s_swig_copy) { bool result;
37518   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37519   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37520   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37521     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_IsHeteroatom" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37522    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (bool)(*arg1)->IsHeteroatom();
37523   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_IsNotCorH(SEXP self,SEXP s_swig_copy)37524 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_IsNotCorH ( SEXP self, SEXP s_swig_copy) { bool result;
37525   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37526   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37527   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37528     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_IsNotCorH" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37529    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (bool)(*arg1)->IsNotCorH();
37530   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_IsConnected(SEXP self,SEXP s_arg2,SEXP s_swig_copy)37531 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_IsConnected ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
37532   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
37533   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
37534   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 );
37535   if (!SWIG_IsOK(res1)) {
37536     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_IsConnected" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37537    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1);
37538   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
37539     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_IsConnected" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
37540    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (bool)(*arg1)->IsConnected(arg2);
37541   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_IsOneThree(SEXP self,SEXP s_arg2,SEXP s_swig_copy)37542 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_IsOneThree ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
37543   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
37544   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
37545   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 );
37546   if (!SWIG_IsOK(res1)) {
37547     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_IsOneThree" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37548    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1);
37549   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
37550     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_IsOneThree" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
37551    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (bool)(*arg1)->IsOneThree(arg2);
37552   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_IsOneFour(SEXP self,SEXP s_arg2,SEXP s_swig_copy)37553 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_IsOneFour ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
37554   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
37555   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
37556   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 );
37557   if (!SWIG_IsOK(res1)) {
37558     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_IsOneFour" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37559    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1);
37560   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
37561     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_IsOneFour" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
37562    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (bool)(*arg1)->IsOneFour(arg2);
37563   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_IsCarboxylOxygen(SEXP self,SEXP s_swig_copy)37564 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_IsCarboxylOxygen ( SEXP self, SEXP s_swig_copy) { bool result;
37565   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37566   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37567   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37568     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_IsCarboxylOxygen" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37569    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (bool)(*arg1)->IsCarboxylOxygen();
37570   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_IsThiocarboxylSulfur(SEXP self,SEXP s_swig_copy)37571 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_IsThiocarboxylSulfur ( SEXP self, SEXP s_swig_copy) { bool result;
37572   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37573   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37574   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37575     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_IsThiocarboxylSulfur" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37576    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (bool)(*arg1)->IsThiocarboxylSulfur();
37577   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_IsPhosphateOxygen(SEXP self,SEXP s_swig_copy)37578 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_IsPhosphateOxygen ( SEXP self, SEXP s_swig_copy) { bool result;
37579   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37580   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37581   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37582     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_IsPhosphateOxygen" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37583    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (bool)(*arg1)->IsPhosphateOxygen();
37584   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_IsSulfateOxygen(SEXP self,SEXP s_swig_copy)37585 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_IsSulfateOxygen ( SEXP self, SEXP s_swig_copy) { bool result;
37586   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37587   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37588   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37589     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_IsSulfateOxygen" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37590    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (bool)(*arg1)->IsSulfateOxygen();
37591   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_IsNitroOxygen(SEXP self,SEXP s_swig_copy)37592 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_IsNitroOxygen ( SEXP self, SEXP s_swig_copy) { bool result;
37593   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37594   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37595   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37596     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_IsNitroOxygen" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37597    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (bool)(*arg1)->IsNitroOxygen();
37598   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_IsAmideNitrogen(SEXP self,SEXP s_swig_copy)37599 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_IsAmideNitrogen ( SEXP self, SEXP s_swig_copy) { bool result;
37600   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37601   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37602   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37603     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_IsAmideNitrogen" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37604    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (bool)(*arg1)->IsAmideNitrogen();
37605   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_IsPolarHydrogen(SEXP self,SEXP s_swig_copy)37606 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_IsPolarHydrogen ( SEXP self, SEXP s_swig_copy) { bool result;
37607   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37608   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37609   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37610     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_IsPolarHydrogen" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37611    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (bool)(*arg1)->IsPolarHydrogen();
37612   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_IsNonPolarHydrogen(SEXP self,SEXP s_swig_copy)37613 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_IsNonPolarHydrogen ( SEXP self, SEXP s_swig_copy) { bool result;
37614   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37615   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37616   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37617     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_IsNonPolarHydrogen" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37618    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (bool)(*arg1)->IsNonPolarHydrogen();
37619   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_IsAromaticNOxide(SEXP self,SEXP s_swig_copy)37620 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_IsAromaticNOxide ( SEXP self, SEXP s_swig_copy) { bool result;
37621   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37622   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37623   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37624     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_IsAromaticNOxide" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37625    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (bool)(*arg1)->IsAromaticNOxide();
37626   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_IsChiral(SEXP self,SEXP s_swig_copy)37627 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_IsChiral ( SEXP self, SEXP s_swig_copy) { bool result;
37628   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37629   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37630   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37631     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_IsChiral" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37632    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (bool)(*arg1)->IsChiral();
37633   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_IsAxial(SEXP self,SEXP s_swig_copy)37634 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_IsAxial ( SEXP self, SEXP s_swig_copy) { bool result;
37635   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37636   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37637   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37638     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_IsAxial" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37639    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (bool)(*arg1)->IsAxial();
37640   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_IsClockwise(SEXP self,SEXP s_swig_copy)37641 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_IsClockwise ( SEXP self, SEXP s_swig_copy) { bool result;
37642   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37643   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37644   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37645     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_IsClockwise" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37646    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (bool)(*arg1)->IsClockwise();
37647   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_IsAntiClockwise(SEXP self,SEXP s_swig_copy)37648 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_IsAntiClockwise ( SEXP self, SEXP s_swig_copy) { bool result;
37649   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37650   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37651   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37652     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_IsAntiClockwise" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37653    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (bool)(*arg1)->IsAntiClockwise();
37654   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_IsPositiveStereo(SEXP self,SEXP s_swig_copy)37655 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_IsPositiveStereo ( SEXP self, SEXP s_swig_copy) { bool result;
37656   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37657   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37658   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37659     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_IsPositiveStereo" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37660    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (bool)(*arg1)->IsPositiveStereo();
37661   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_IsNegativeStereo(SEXP self,SEXP s_swig_copy)37662 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_IsNegativeStereo ( SEXP self, SEXP s_swig_copy) { bool result;
37663   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37664   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37665   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37666     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_IsNegativeStereo" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37667    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (bool)(*arg1)->IsNegativeStereo();
37668   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_HasChiralitySpecified(SEXP self,SEXP s_swig_copy)37669 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_HasChiralitySpecified ( SEXP self, SEXP s_swig_copy) { bool result;
37670   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37671   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37672   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37673     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_HasChiralitySpecified" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37674    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (bool)(*arg1)->HasChiralitySpecified();
37675   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_HasChiralVolume(SEXP self,SEXP s_swig_copy)37676 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_HasChiralVolume ( SEXP self, SEXP s_swig_copy) { bool result;
37677   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37678   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37679   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37680     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_HasChiralVolume" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37681    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (bool)(*arg1)->HasChiralVolume();
37682   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_IsHbondAcceptor(SEXP self,SEXP s_swig_copy)37683 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_IsHbondAcceptor ( SEXP self, SEXP s_swig_copy) { bool result;
37684   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37685   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37686   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37687     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_IsHbondAcceptor" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37688    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (bool)(*arg1)->IsHbondAcceptor();
37689   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_IsHbondDonor(SEXP self,SEXP s_swig_copy)37690 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_IsHbondDonor ( SEXP self, SEXP s_swig_copy) { bool result;
37691   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37692   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37693   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37694     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_IsHbondDonor" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37695    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (bool)(*arg1)->IsHbondDonor();
37696   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_IsHbondDonorH(SEXP self,SEXP s_swig_copy)37697 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_IsHbondDonorH ( SEXP self, SEXP s_swig_copy) { bool result;
37698   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37699   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37700   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37701     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_IsHbondDonorH" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37702    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (bool)(*arg1)->IsHbondDonorH();
37703   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_IsMetal(SEXP self,SEXP s_swig_copy)37704 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_IsMetal ( SEXP self, SEXP s_swig_copy) { bool result;
37705   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37706   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37707   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37708     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_IsMetal" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37709    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (bool)(*arg1)->IsMetal();
37710   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_HasAlphaBetaUnsat__SWIG_0(SEXP self,SEXP includePandS,SEXP s_swig_copy)37711 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_HasAlphaBetaUnsat__SWIG_0 ( SEXP self, SEXP includePandS, SEXP s_swig_copy) {
37712   bool result; OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; bool arg2 ; void *argp1 = 0 ;
37713   int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37714   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37715     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_HasAlphaBetaUnsat" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37716    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); arg2 = LOGICAL(includePandS)[0] ? true : false;
37717   result = (bool)(*arg1)->HasAlphaBetaUnsat(arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
37718   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_HasAlphaBetaUnsat__SWIG_1(SEXP self,SEXP s_swig_copy)37719 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_HasAlphaBetaUnsat__SWIG_1 ( SEXP self, SEXP s_swig_copy) { bool result;
37720   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37721   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37722   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37723     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_HasAlphaBetaUnsat" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37724    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (bool)(*arg1)->HasAlphaBetaUnsat();
37725   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_HasBondOfOrder(SEXP self,SEXP bo,SEXP s_swig_copy)37726 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_HasBondOfOrder ( SEXP self, SEXP bo, SEXP s_swig_copy) { bool result;
37727   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
37728   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37729   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37730     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_HasBondOfOrder" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37731    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); ecode2 = SWIG_AsVal_int(bo, &val2);
37732   if (!SWIG_IsOK(ecode2)) {
37733     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBResidueAtomIter_HasBondOfOrder" "', argument " "2"" of type '" "unsigned int""'"); }
37734     arg2 = static_cast< unsigned int >(val2); result = (bool)(*arg1)->HasBondOfOrder(arg2); r_ans = Rf_ScalarLogical(result);
37735   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_CountBondsOfOrder(SEXP self,SEXP bo,SEXP s_swig_copy)37736 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_CountBondsOfOrder ( SEXP self, SEXP bo, SEXP s_swig_copy) { int result;
37737   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
37738   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37739   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37740     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_CountBondsOfOrder" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37741    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); ecode2 = SWIG_AsVal_int(bo, &val2);
37742   if (!SWIG_IsOK(ecode2)) {
37743     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBResidueAtomIter_CountBondsOfOrder" "', argument " "2"" of type '" "unsigned int""'"); }
37744     arg2 = static_cast< unsigned int >(val2); result = (int)(*arg1)->CountBondsOfOrder(arg2); r_ans = Rf_ScalarInteger(result);
37745   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_HasNonSingleBond(SEXP self,SEXP s_swig_copy)37746 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_HasNonSingleBond ( SEXP self, SEXP s_swig_copy) { bool result;
37747   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37748   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37749   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37750     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_HasNonSingleBond" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37751    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (bool)(*arg1)->HasNonSingleBond();
37752   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_HasSingleBond(SEXP self,SEXP s_swig_copy)37753 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_HasSingleBond ( SEXP self, SEXP s_swig_copy) { bool result;
37754   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37755   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37756   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37757     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_HasSingleBond" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37758    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (bool)(*arg1)->HasSingleBond();
37759   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_HasDoubleBond(SEXP self,SEXP s_swig_copy)37760 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_HasDoubleBond ( SEXP self, SEXP s_swig_copy) { bool result;
37761   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37762   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37763   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37764     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_HasDoubleBond" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37765    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (bool)(*arg1)->HasDoubleBond();
37766   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_HasAromaticBond(SEXP self,SEXP s_swig_copy)37767 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_HasAromaticBond ( SEXP self, SEXP s_swig_copy) { bool result;
37768   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37769   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37770   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37771     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_HasAromaticBond" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37772    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (bool)(*arg1)->HasAromaticBond();
37773   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_MatchesSMARTS(SEXP self,SEXP s_arg2,SEXP s_swig_copy)37774 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_MatchesSMARTS ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
37775   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; char *arg2 = (char *) 0 ; void *argp1 = 0 ;
37776   int res1 = 0 ; int res2 ; char *buf2 = 0 ; int alloc2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
37777   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 );
37778   if (!SWIG_IsOK(res1)) {
37779     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_MatchesSMARTS" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37780    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); res2 = SWIG_AsCharPtrAndSize(s_arg2, &buf2, NULL, &alloc2);
37781   if (!SWIG_IsOK(res2)) {
37782     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_MatchesSMARTS" "', argument " "2"" of type '" "char const *""'"); }
37783    arg2 = reinterpret_cast< char * >(buf2); result = (bool)(*arg1)->MatchesSMARTS((char const *)arg2);
37784   r_ans = Rf_ScalarLogical(result); if (alloc2 == SWIG_NEWOBJ) delete[] buf2; vmaxset(r_vmax);
37785   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_Clear(SEXP self,SEXP s_swig_copy)37786 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_Clear ( SEXP self, SEXP s_swig_copy) { bool result;
37787   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37788   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37789   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37790     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_Clear" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37791    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (bool)(*arg1)->Clear();
37792   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_DoTransformations(SEXP self,SEXP s_arg2,SEXP s_arg3)37793 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_DoTransformations ( SEXP self, SEXP s_arg2, SEXP s_arg3) {
37794   OpenBabel::OBBase *result = 0 ; OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ;
37795   std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > *arg2 = (std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > *) 0 ;
37796   OpenBabel::OBConversion *arg3 = (OpenBabel::OBConversion *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
37797   int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
37798   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 );
37799   if (!SWIG_IsOK(res1)) {
37800     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_DoTransformations" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37801    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1);
37802   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_std__mapT_std__string_std__string_std__lessT_std__string_t_std__allocatorT_std__pairT_std__string_const_std__string_t_t_t, 0 |  0 );
37803   if (!SWIG_IsOK(res2)) {
37804     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_DoTransformations" "', argument " "2"" of type '" "std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > const *""'");  }
37805 
37806   arg2 = reinterpret_cast< std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > * >(argp2);
37807   res3 = SWIG_R_ConvertPtr(s_arg3, &argp3, SWIGTYPE_p_OpenBabel__OBConversion, 0 |  0 ); if (!SWIG_IsOK(res3)) {
37808     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBResidueAtomIter_DoTransformations" "', argument " "3"" of type '" "OpenBabel::OBConversion *""'");  }
37809    arg3 = reinterpret_cast< OpenBabel::OBConversion * >(argp3);
37810   result = (OpenBabel::OBBase *)(*arg1)->DoTransformations((std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > const *)arg2,arg3);
37811   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBase, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
37812   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_ClassDescription(SEXP self)37813 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_ClassDescription ( SEXP self) { char *result = 0 ;
37814   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37815   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37816   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37817     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_ClassDescription" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37818    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (char *)(*arg1)->ClassDescription();
37819   r_ans = SWIG_FromCharPtr((const char *)result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_GetTitle__SWIG_0(SEXP self,SEXP replaceNewlines)37820 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_GetTitle__SWIG_0 ( SEXP self, SEXP replaceNewlines) { char *result = 0 ;
37821   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
37822   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37823   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37824     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetTitle" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const *""'");  }
37825    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); arg2 = LOGICAL(replaceNewlines)[0] ? true : false;
37826   result = (char *)(*arg1)->GetTitle(arg2); r_ans = SWIG_FromCharPtr((const char *)result); vmaxset(r_vmax);
37827   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_GetTitle__SWIG_1(SEXP self)37828 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_GetTitle__SWIG_1 ( SEXP self) { char *result = 0 ;
37829   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37830   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37831   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37832     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetTitle" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const *""'");  }
37833    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (char *)(*arg1)->GetTitle();
37834   r_ans = SWIG_FromCharPtr((const char *)result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_SetTitle(SEXP self,SEXP s_arg2)37835 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_SetTitle ( SEXP self, SEXP s_arg2) {
37836   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; char *arg2 = (char *) 0 ; void *argp1 = 0 ;
37837   int res1 = 0 ; int res2 ; char *buf2 = 0 ; int alloc2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
37838   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 );
37839   if (!SWIG_IsOK(res1)) {
37840     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_SetTitle" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37841    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); res2 = SWIG_AsCharPtrAndSize(s_arg2, &buf2, NULL, &alloc2);
37842   if (!SWIG_IsOK(res2)) {
37843     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_SetTitle" "', argument " "2"" of type '" "char const *""'"); }
37844    arg2 = reinterpret_cast< char * >(buf2); (*arg1)->SetTitle((char const *)arg2); r_ans = R_NilValue;
37845   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_HasData__SWIG_0(SEXP self,SEXP s_arg2,SEXP s_swig_copy)37846 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_HasData__SWIG_0 ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { bool result;
37847   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ;
37848   int res1 = 0 ; int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37849   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37850     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_HasData" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37851    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); { std::string *ptr = (std::string *)0;
37852     res2 = SWIG_AsPtr_std_string(s_arg2, &ptr); if (!SWIG_IsOK(res2)) {
37853       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_HasData" "', argument " "2"" of type '" "std::string const &""'"); }
37854      if (!ptr) {
37855       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueAtomIter_HasData" "', argument " "2"" of type '" "std::string const &""'"); }
37856      arg2 = ptr; }  result = (bool)(*arg1)->HasData((std::string const &)*arg2); r_ans = Rf_ScalarLogical(result);
37857   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_HasData__SWIG_1(SEXP self,SEXP type,SEXP s_swig_copy)37858 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_HasData__SWIG_1 ( SEXP self, SEXP type, SEXP s_swig_copy) { bool result;
37859   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
37860   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37861   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37862     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_HasData" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37863    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); ecode2 = SWIG_AsVal_int(type, &val2);
37864   if (!SWIG_IsOK(ecode2)) {
37865     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBResidueAtomIter_HasData" "', argument " "2"" of type '" "unsigned int""'"); }
37866     arg2 = static_cast< unsigned int >(val2); result = (bool)(*arg1)->HasData(arg2); r_ans = Rf_ScalarLogical(result);
37867   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_DeleteData__SWIG_0(SEXP self,SEXP type)37868 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_DeleteData__SWIG_0 ( SEXP self, SEXP type) {
37869   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
37870   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37871   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37872     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_DeleteData" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37873    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); ecode2 = SWIG_AsVal_int(type, &val2);
37874   if (!SWIG_IsOK(ecode2)) {
37875     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBResidueAtomIter_DeleteData" "', argument " "2"" of type '" "unsigned int""'"); }
37876     arg2 = static_cast< unsigned int >(val2); (*arg1)->DeleteData(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
37877   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_DeleteData__SWIG_1(SEXP self,SEXP s_arg2)37878 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_DeleteData__SWIG_1 ( SEXP self, SEXP s_arg2) {
37879   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ;
37880   OpenBabel::OBGenericData *arg2 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
37881   int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37882   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37883     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_DeleteData" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37884    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1);
37885   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res2)) {
37886     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_DeleteData" "', argument " "2"" of type '" "OpenBabel::OBGenericData *""'");  }
37887    arg2 = reinterpret_cast< OpenBabel::OBGenericData * >(argp2); (*arg1)->DeleteData(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
37888   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_DeleteData__SWIG_2(SEXP self,SEXP s_arg2)37889 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_DeleteData__SWIG_2 ( SEXP self, SEXP s_arg2) {
37890   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ;
37891   std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > *arg2 = 0 ; void *argp1 = 0 ;
37892   int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
37893   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 );
37894   if (!SWIG_IsOK(res1)) {
37895     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_DeleteData" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37896    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1);
37897   res2 = SWIG_R_ConvertPtr(s_arg2, &argp2, SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t,  0 );
37898   if (!SWIG_IsOK(res2)) {
37899     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_DeleteData" "', argument " "2"" of type '" "std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > &""'");  }
37900    if (!argp2) {
37901     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueAtomIter_DeleteData" "', argument " "2"" of type '" "std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > &""'"); }
37902    arg2 = reinterpret_cast< std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > * >(argp2);
37903   (*arg1)->DeleteData(*arg2); r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_DeleteData__SWIG_3(SEXP self,SEXP s,SEXP s_swig_copy)37904 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_DeleteData__SWIG_3 ( SEXP self, SEXP s, SEXP s_swig_copy) { bool result;
37905   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ;
37906   int res1 = 0 ; int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37907   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37908     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_DeleteData" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37909    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); { std::string *ptr = (std::string *)0;
37910     res2 = SWIG_AsPtr_std_string(s, &ptr); if (!SWIG_IsOK(res2)) {
37911       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_DeleteData" "', argument " "2"" of type '" "std::string const &""'"); }
37912      if (!ptr) {
37913       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueAtomIter_DeleteData" "', argument " "2"" of type '" "std::string const &""'"); }
37914      arg2 = ptr; }  result = (bool)(*arg1)->DeleteData((std::string const &)*arg2); r_ans = Rf_ScalarLogical(result);
37915   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_CloneData(SEXP self,SEXP d)37916 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_CloneData ( SEXP self, SEXP d) {
37917   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ;
37918   OpenBabel::OBGenericData *arg2 = (OpenBabel::OBGenericData *) 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
37919   int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37920   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37921     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_CloneData" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37922    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1);
37923   res2 = SWIG_R_ConvertPtr(d, &argp2, SWIGTYPE_p_OpenBabel__OBGenericData, 0 |  0 ); if (!SWIG_IsOK(res2)) {
37924     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_CloneData" "', argument " "2"" of type '" "OpenBabel::OBGenericData *""'");  }
37925    arg2 = reinterpret_cast< OpenBabel::OBGenericData * >(argp2); (*arg1)->CloneData(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
37926   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_DataSize(SEXP self,SEXP s_swig_copy)37927 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_DataSize ( SEXP self, SEXP s_swig_copy) { size_t result;
37928   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37929   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37930   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37931     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_DataSize" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter const *""'");  }
37932    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (*arg1)->DataSize();
37933   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_GetData__SWIG_0(SEXP self,SEXP type)37934 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_GetData__SWIG_0 ( SEXP self, SEXP type) { OpenBabel::OBGenericData *result = 0 ;
37935   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
37936   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37937   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37938     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetData" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37939    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); ecode2 = SWIG_AsVal_int(type, &val2);
37940   if (!SWIG_IsOK(ecode2)) {
37941     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBResidueAtomIter_GetData" "', argument " "2"" of type '" "unsigned int""'"); }
37942     arg2 = static_cast< unsigned int >(val2); result = (OpenBabel::OBGenericData *)(*arg1)->GetData(arg2);
37943   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGenericData, R_SWIG_EXTERNAL |  0 );
37944   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_GetData__SWIG_1(SEXP self,SEXP s_arg2)37945 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_GetData__SWIG_1 ( SEXP self, SEXP s_arg2) { OpenBabel::OBGenericData *result = 0 ;
37946   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ;
37947   int res1 = 0 ; int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37948   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37949     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetData" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37950    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); { std::string *ptr = (std::string *)0;
37951     res2 = SWIG_AsPtr_std_string(s_arg2, &ptr); if (!SWIG_IsOK(res2)) {
37952       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBResidueAtomIter_GetData" "', argument " "2"" of type '" "std::string const &""'"); }
37953      if (!ptr) {
37954       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBResidueAtomIter_GetData" "', argument " "2"" of type '" "std::string const &""'"); }
37955      arg2 = ptr; }  result = (OpenBabel::OBGenericData *)(*arg1)->GetData((std::string const &)*arg2);
37956   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBGenericData, R_SWIG_EXTERNAL |  0 );
37957   if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_GetData__SWIG_2(SEXP self,SEXP s_swig_copy)37958 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_GetData__SWIG_2 ( SEXP self, SEXP s_swig_copy) {
37959   std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > *result = 0 ;
37960   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37961   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37962   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37963     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetData" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37964    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1);
37965   result = (std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > *) &(*arg1)->GetData();
37966   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t, R_SWIG_EXTERNAL |  0 );
37967   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_GetData__SWIG_3(SEXP self,SEXP source,SEXP s_swig_copy)37968 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_GetData__SWIG_3 ( SEXP self, SEXP source, SEXP s_swig_copy) {
37969   std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > result;
37970   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; OpenBabel::DataOrigin arg2 ; void *argp1 = 0 ;
37971   int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
37972   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 );
37973   if (!SWIG_IsOK(res1)) {
37974     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetData" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37975    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); ecode2 = SWIG_AsVal_int(source, &val2);
37976   if (!SWIG_IsOK(ecode2)) {
37977     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBResidueAtomIter_GetData" "', argument " "2"" of type '" "OpenBabel::DataOrigin""'"); }
37978     arg2 = static_cast< OpenBabel::DataOrigin >(val2); result = (*arg1)->GetData(arg2);
37979   r_ans = swig::from(static_cast< std::vector<OpenBabel::OBGenericData*,std::allocator< OpenBabel::OBGenericData * > > >(result));
37980   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_GetAllData(SEXP self,SEXP type,SEXP s_swig_copy)37981 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_GetAllData ( SEXP self, SEXP type, SEXP s_swig_copy) {
37982   std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > result;
37983   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
37984   int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37985   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37986     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_GetAllData" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37987    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); ecode2 = SWIG_AsVal_int(type, &val2);
37988   if (!SWIG_IsOK(ecode2)) {
37989     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBResidueAtomIter_GetAllData" "', argument " "2"" of type '" "unsigned int""'"); }
37990     arg2 = static_cast< unsigned int >(val2); result = (*arg1)->GetAllData(arg2);
37991   r_ans = swig::from(static_cast< std::vector<OpenBabel::OBGenericData*,std::allocator< OpenBabel::OBGenericData * > > >(result));
37992   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_BeginData(SEXP self,SEXP s_swig_copy)37993 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_BeginData ( SEXP self, SEXP s_swig_copy) {
37994   SwigValueWrapper< std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > >::iterator > result;
37995   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
37996   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
37997   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
37998     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_BeginData" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
37999    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (*arg1)->BeginData();
38000   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBDataIterator(static_cast< const OpenBabel::OBDataIterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
38001   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBResidueAtomIter_EndData(SEXP self,SEXP s_swig_copy)38002 SWIGEXPORT SEXP R_swig_OBResidueAtomIter_EndData ( SEXP self, SEXP s_swig_copy) {
38003   SwigValueWrapper< std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > >::iterator > result;
38004   OpenBabel::OBResidueAtomIter *arg1 = (OpenBabel::OBResidueAtomIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
38005   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38006   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBResidueAtomIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38007     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBResidueAtomIter_EndData" "', argument " "1"" of type '" "OpenBabel::OBResidueAtomIter *""'");  }
38008    arg1 = reinterpret_cast< OpenBabel::OBResidueAtomIter * >(argp1); result = (*arg1)->EndData();
38009   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBDataIterator(static_cast< const OpenBabel::OBDataIterator& >(result))), SWIGTYPE_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t__iterator, SWIG_POINTER_OWN |  0 );
38010   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBMolAngleIter__SWIG_0()38011 SWIGEXPORT SEXP R_swig_new_OBMolAngleIter__SWIG_0 ( ) { OpenBabel::OBMolAngleIter *result = 0 ; unsigned int r_nprotect = 0;
38012   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBMolAngleIter *)new OpenBabel::OBMolAngleIter();
38013   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMolAngleIter, R_SWIG_OWNER |  0 );
38014   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBMolAngleIter__SWIG_1(SEXP mol)38015 SWIGEXPORT SEXP R_swig_new_OBMolAngleIter__SWIG_1 ( SEXP mol) { OpenBabel::OBMolAngleIter *result = 0 ;
38016   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
38017   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38018   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38019     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBMolAngleIter" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
38020    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
38021   result = (OpenBabel::OBMolAngleIter *)new OpenBabel::OBMolAngleIter(arg1);
38022   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMolAngleIter, R_SWIG_OWNER |  0 );
38023   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBMolAngleIter__SWIG_2(SEXP ai)38024 SWIGEXPORT SEXP R_swig_new_OBMolAngleIter__SWIG_2 ( SEXP ai) { OpenBabel::OBMolAngleIter *result = 0 ;
38025   OpenBabel::OBMolAngleIter *arg1 = 0 ; void *argp1 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
38026   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(ai, &argp1, SWIGTYPE_p_OpenBabel__OBMolAngleIter,  0 );
38027   if (!SWIG_IsOK(res1)) {
38028     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBMolAngleIter" "', argument " "1"" of type '" "OpenBabel::OBMolAngleIter const &""'");  }
38029    if (!argp1) {
38030     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBMolAngleIter" "', argument " "1"" of type '" "OpenBabel::OBMolAngleIter const &""'"); }
38031    arg1 = reinterpret_cast< OpenBabel::OBMolAngleIter * >(argp1);
38032   result = (OpenBabel::OBMolAngleIter *)new OpenBabel::OBMolAngleIter((OpenBabel::OBMolAngleIter const &)*arg1);
38033   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMolAngleIter, R_SWIG_OWNER |  0 );
38034   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBMolAngleIter(SEXP self)38035 SWIGEXPORT SEXP R_swig_delete_OBMolAngleIter ( SEXP self) { OpenBabel::OBMolAngleIter *arg1 = (OpenBabel::OBMolAngleIter *) 0 ;
38036   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38037   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAngleIter, SWIG_POINTER_DISOWN |  0 );
38038   if (!SWIG_IsOK(res1)) {
38039     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBMolAngleIter" "', argument " "1"" of type '" "OpenBabel::OBMolAngleIter *""'");  }
38040    arg1 = reinterpret_cast< OpenBabel::OBMolAngleIter * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
38041   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBMolAngleIter_HasMore(SEXP self,SEXP s_swig_copy)38042 SWIGEXPORT SEXP R_swig_OBMolAngleIter_HasMore ( SEXP self, SEXP s_swig_copy) { bool result;
38043   OpenBabel::OBMolAngleIter *arg1 = (OpenBabel::OBMolAngleIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
38044   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38045   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAngleIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38046     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAngleIter_HasMore" "', argument " "1"" of type '" "OpenBabel::OBMolAngleIter const *""'");  }
38047    arg1 = reinterpret_cast< OpenBabel::OBMolAngleIter * >(argp1);
38048   result = (bool)((OpenBabel::OBMolAngleIter const *)arg1)->operator bool(); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
38049   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAngleIter_inc(SEXP self,SEXP s_swig_copy)38050 SWIGEXPORT SEXP R_swig_OBMolAngleIter_inc ( SEXP self, SEXP s_swig_copy) { OpenBabel::OBMolAngleIter *result = 0 ;
38051   OpenBabel::OBMolAngleIter *arg1 = (OpenBabel::OBMolAngleIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
38052   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38053   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAngleIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38054     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAngleIter_inc" "', argument " "1"" of type '" "OpenBabel::OBMolAngleIter *""'");  }
38055    arg1 = reinterpret_cast< OpenBabel::OBMolAngleIter * >(argp1); result = (OpenBabel::OBMolAngleIter *) &(arg1)->operator ++();
38056   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMolAngleIter, R_SWIG_EXTERNAL |  0 );
38057   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolAngleIter___ref__(SEXP self,SEXP s_swig_copy)38058 SWIGEXPORT SEXP R_swig_OBMolAngleIter___ref__ ( SEXP self, SEXP s_swig_copy) {
38059   std::vector< unsigned int,std::allocator< unsigned int > > result;
38060   OpenBabel::OBMolAngleIter *arg1 = (OpenBabel::OBMolAngleIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
38061   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38062   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolAngleIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38063     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolAngleIter___ref__" "', argument " "1"" of type '" "OpenBabel::OBMolAngleIter const *""'");  }
38064    arg1 = reinterpret_cast< OpenBabel::OBMolAngleIter * >(argp1);
38065   result = ((OpenBabel::OBMolAngleIter const *)arg1)->operator *();
38066   r_ans = swig::from(static_cast< std::vector<unsigned int,std::allocator< unsigned int > > >(result)); vmaxset(r_vmax);
38067   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBMolTorsionIter__SWIG_0()38068 SWIGEXPORT SEXP R_swig_new_OBMolTorsionIter__SWIG_0 ( ) { OpenBabel::OBMolTorsionIter *result = 0 ; unsigned int r_nprotect = 0;
38069   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38070   result = (OpenBabel::OBMolTorsionIter *)new OpenBabel::OBMolTorsionIter();
38071   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMolTorsionIter, R_SWIG_OWNER |  0 );
38072   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBMolTorsionIter__SWIG_1(SEXP mol)38073 SWIGEXPORT SEXP R_swig_new_OBMolTorsionIter__SWIG_1 ( SEXP mol) { OpenBabel::OBMolTorsionIter *result = 0 ;
38074   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
38075   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38076   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38077     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBMolTorsionIter" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
38078    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
38079   result = (OpenBabel::OBMolTorsionIter *)new OpenBabel::OBMolTorsionIter(arg1);
38080   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMolTorsionIter, R_SWIG_OWNER |  0 );
38081   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBMolTorsionIter__SWIG_2(SEXP ai)38082 SWIGEXPORT SEXP R_swig_new_OBMolTorsionIter__SWIG_2 ( SEXP ai) { OpenBabel::OBMolTorsionIter *result = 0 ;
38083   OpenBabel::OBMolTorsionIter *arg1 = 0 ; void *argp1 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
38084   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(ai, &argp1, SWIGTYPE_p_OpenBabel__OBMolTorsionIter,  0 );
38085   if (!SWIG_IsOK(res1)) {
38086     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBMolTorsionIter" "', argument " "1"" of type '" "OpenBabel::OBMolTorsionIter const &""'");  }
38087    if (!argp1) {
38088     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBMolTorsionIter" "', argument " "1"" of type '" "OpenBabel::OBMolTorsionIter const &""'"); }
38089    arg1 = reinterpret_cast< OpenBabel::OBMolTorsionIter * >(argp1);
38090   result = (OpenBabel::OBMolTorsionIter *)new OpenBabel::OBMolTorsionIter((OpenBabel::OBMolTorsionIter const &)*arg1);
38091   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMolTorsionIter, R_SWIG_OWNER |  0 );
38092   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBMolTorsionIter(SEXP self)38093 SWIGEXPORT SEXP R_swig_delete_OBMolTorsionIter ( SEXP self) {
38094   OpenBabel::OBMolTorsionIter *arg1 = (OpenBabel::OBMolTorsionIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
38095   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38096   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolTorsionIter, SWIG_POINTER_DISOWN |  0 );
38097   if (!SWIG_IsOK(res1)) {
38098     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBMolTorsionIter" "', argument " "1"" of type '" "OpenBabel::OBMolTorsionIter *""'");  }
38099    arg1 = reinterpret_cast< OpenBabel::OBMolTorsionIter * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
38100   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBMolTorsionIter_HasMore(SEXP self,SEXP s_swig_copy)38101 SWIGEXPORT SEXP R_swig_OBMolTorsionIter_HasMore ( SEXP self, SEXP s_swig_copy) { bool result;
38102   OpenBabel::OBMolTorsionIter *arg1 = (OpenBabel::OBMolTorsionIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
38103   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38104   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolTorsionIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38105     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolTorsionIter_HasMore" "', argument " "1"" of type '" "OpenBabel::OBMolTorsionIter const *""'");  }
38106    arg1 = reinterpret_cast< OpenBabel::OBMolTorsionIter * >(argp1);
38107   result = (bool)((OpenBabel::OBMolTorsionIter const *)arg1)->operator bool(); r_ans = Rf_ScalarLogical(result);
38108   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolTorsionIter_inc(SEXP self,SEXP s_swig_copy)38109 SWIGEXPORT SEXP R_swig_OBMolTorsionIter_inc ( SEXP self, SEXP s_swig_copy) { OpenBabel::OBMolTorsionIter *result = 0 ;
38110   OpenBabel::OBMolTorsionIter *arg1 = (OpenBabel::OBMolTorsionIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
38111   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38112   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolTorsionIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38113     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolTorsionIter_inc" "', argument " "1"" of type '" "OpenBabel::OBMolTorsionIter *""'");  }
38114    arg1 = reinterpret_cast< OpenBabel::OBMolTorsionIter * >(argp1);
38115   result = (OpenBabel::OBMolTorsionIter *) &(arg1)->operator ++();
38116   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMolTorsionIter, R_SWIG_EXTERNAL |  0 );
38117   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolTorsionIter___ref__(SEXP self,SEXP s_swig_copy)38118 SWIGEXPORT SEXP R_swig_OBMolTorsionIter___ref__ ( SEXP self, SEXP s_swig_copy) {
38119   std::vector< unsigned int,std::allocator< unsigned int > > result;
38120   OpenBabel::OBMolTorsionIter *arg1 = (OpenBabel::OBMolTorsionIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
38121   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38122   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolTorsionIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38123     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolTorsionIter___ref__" "', argument " "1"" of type '" "OpenBabel::OBMolTorsionIter const *""'");  }
38124    arg1 = reinterpret_cast< OpenBabel::OBMolTorsionIter * >(argp1);
38125   result = ((OpenBabel::OBMolTorsionIter const *)arg1)->operator *();
38126   r_ans = swig::from(static_cast< std::vector<unsigned int,std::allocator< unsigned int > > >(result)); vmaxset(r_vmax);
38127   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBMolPairIter__SWIG_0()38128 SWIGEXPORT SEXP R_swig_new_OBMolPairIter__SWIG_0 ( ) { OpenBabel::OBMolPairIter *result = 0 ; unsigned int r_nprotect = 0;
38129   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBMolPairIter *)new OpenBabel::OBMolPairIter();
38130   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMolPairIter, R_SWIG_OWNER |  0 );
38131   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBMolPairIter__SWIG_1(SEXP mol)38132 SWIGEXPORT SEXP R_swig_new_OBMolPairIter__SWIG_1 ( SEXP mol) { OpenBabel::OBMolPairIter *result = 0 ;
38133   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
38134   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38135   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38136     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBMolPairIter" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
38137    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
38138   result = (OpenBabel::OBMolPairIter *)new OpenBabel::OBMolPairIter(arg1);
38139   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMolPairIter, R_SWIG_OWNER |  0 );
38140   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBMolPairIter__SWIG_2(SEXP ai)38141 SWIGEXPORT SEXP R_swig_new_OBMolPairIter__SWIG_2 ( SEXP ai) { OpenBabel::OBMolPairIter *result = 0 ;
38142   OpenBabel::OBMolPairIter *arg1 = 0 ; void *argp1 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
38143   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(ai, &argp1, SWIGTYPE_p_OpenBabel__OBMolPairIter,  0 );
38144   if (!SWIG_IsOK(res1)) {
38145     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBMolPairIter" "', argument " "1"" of type '" "OpenBabel::OBMolPairIter const &""'");  }
38146    if (!argp1) {
38147     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBMolPairIter" "', argument " "1"" of type '" "OpenBabel::OBMolPairIter const &""'"); }
38148    arg1 = reinterpret_cast< OpenBabel::OBMolPairIter * >(argp1);
38149   result = (OpenBabel::OBMolPairIter *)new OpenBabel::OBMolPairIter((OpenBabel::OBMolPairIter const &)*arg1);
38150   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMolPairIter, R_SWIG_OWNER |  0 );
38151   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBMolPairIter(SEXP self)38152 SWIGEXPORT SEXP R_swig_delete_OBMolPairIter ( SEXP self) { OpenBabel::OBMolPairIter *arg1 = (OpenBabel::OBMolPairIter *) 0 ;
38153   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38154   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolPairIter, SWIG_POINTER_DISOWN |  0 );
38155   if (!SWIG_IsOK(res1)) {
38156     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBMolPairIter" "', argument " "1"" of type '" "OpenBabel::OBMolPairIter *""'");  }
38157    arg1 = reinterpret_cast< OpenBabel::OBMolPairIter * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
38158   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBMolPairIter_HasMore(SEXP self,SEXP s_swig_copy)38159 SWIGEXPORT SEXP R_swig_OBMolPairIter_HasMore ( SEXP self, SEXP s_swig_copy) { bool result;
38160   OpenBabel::OBMolPairIter *arg1 = (OpenBabel::OBMolPairIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
38161   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38162   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolPairIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38163     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolPairIter_HasMore" "', argument " "1"" of type '" "OpenBabel::OBMolPairIter const *""'");  }
38164    arg1 = reinterpret_cast< OpenBabel::OBMolPairIter * >(argp1);
38165   result = (bool)((OpenBabel::OBMolPairIter const *)arg1)->operator bool(); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
38166   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolPairIter_inc(SEXP self,SEXP s_swig_copy)38167 SWIGEXPORT SEXP R_swig_OBMolPairIter_inc ( SEXP self, SEXP s_swig_copy) { OpenBabel::OBMolPairIter *result = 0 ;
38168   OpenBabel::OBMolPairIter *arg1 = (OpenBabel::OBMolPairIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
38169   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38170   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolPairIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38171     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolPairIter_inc" "', argument " "1"" of type '" "OpenBabel::OBMolPairIter *""'");  }
38172    arg1 = reinterpret_cast< OpenBabel::OBMolPairIter * >(argp1); result = (OpenBabel::OBMolPairIter *) &(arg1)->operator ++();
38173   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMolPairIter, R_SWIG_EXTERNAL |  0 );
38174   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolPairIter___ref__(SEXP self,SEXP s_swig_copy)38175 SWIGEXPORT SEXP R_swig_OBMolPairIter___ref__ ( SEXP self, SEXP s_swig_copy) {
38176   std::vector< unsigned int,std::allocator< unsigned int > > result;
38177   OpenBabel::OBMolPairIter *arg1 = (OpenBabel::OBMolPairIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
38178   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38179   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolPairIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38180     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolPairIter___ref__" "', argument " "1"" of type '" "OpenBabel::OBMolPairIter const *""'");  }
38181    arg1 = reinterpret_cast< OpenBabel::OBMolPairIter * >(argp1);
38182   result = ((OpenBabel::OBMolPairIter const *)arg1)->operator *();
38183   r_ans = swig::from(static_cast< std::vector<unsigned int,std::allocator< unsigned int > > >(result)); vmaxset(r_vmax);
38184   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBMolRingIter__SWIG_0()38185 SWIGEXPORT SEXP R_swig_new_OBMolRingIter__SWIG_0 ( ) { OpenBabel::OBMolRingIter *result = 0 ; unsigned int r_nprotect = 0;
38186   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ; result = (OpenBabel::OBMolRingIter *)new OpenBabel::OBMolRingIter();
38187   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMolRingIter, R_SWIG_OWNER |  0 );
38188   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBMolRingIter__SWIG_1(SEXP mol)38189 SWIGEXPORT SEXP R_swig_new_OBMolRingIter__SWIG_1 ( SEXP mol) { OpenBabel::OBMolRingIter *result = 0 ;
38190   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
38191   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38192   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38193     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBMolRingIter" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
38194    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
38195   result = (OpenBabel::OBMolRingIter *)new OpenBabel::OBMolRingIter(arg1);
38196   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMolRingIter, R_SWIG_OWNER |  0 );
38197   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBMolRingIter__SWIG_2(SEXP ri)38198 SWIGEXPORT SEXP R_swig_new_OBMolRingIter__SWIG_2 ( SEXP ri) { OpenBabel::OBMolRingIter *result = 0 ;
38199   OpenBabel::OBMolRingIter *arg1 = 0 ; void *argp1 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
38200   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(ri, &argp1, SWIGTYPE_p_OpenBabel__OBMolRingIter,  0 );
38201   if (!SWIG_IsOK(res1)) {
38202     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBMolRingIter" "', argument " "1"" of type '" "OpenBabel::OBMolRingIter const &""'");  }
38203    if (!argp1) {
38204     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "new_OBMolRingIter" "', argument " "1"" of type '" "OpenBabel::OBMolRingIter const &""'"); }
38205    arg1 = reinterpret_cast< OpenBabel::OBMolRingIter * >(argp1);
38206   result = (OpenBabel::OBMolRingIter *)new OpenBabel::OBMolRingIter((OpenBabel::OBMolRingIter const &)*arg1);
38207   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMolRingIter, R_SWIG_OWNER |  0 );
38208   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBMolRingIter(SEXP self)38209 SWIGEXPORT SEXP R_swig_delete_OBMolRingIter ( SEXP self) { OpenBabel::OBMolRingIter *arg1 = (OpenBabel::OBMolRingIter *) 0 ;
38210   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38211   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolRingIter, SWIG_POINTER_DISOWN |  0 );
38212   if (!SWIG_IsOK(res1)) {
38213     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBMolRingIter" "', argument " "1"" of type '" "OpenBabel::OBMolRingIter *""'");  }
38214    arg1 = reinterpret_cast< OpenBabel::OBMolRingIter * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
38215   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBMolRingIter_HasMore(SEXP self,SEXP s_swig_copy)38216 SWIGEXPORT SEXP R_swig_OBMolRingIter_HasMore ( SEXP self, SEXP s_swig_copy) { bool result;
38217   OpenBabel::OBMolRingIter *arg1 = (OpenBabel::OBMolRingIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
38218   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38219   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolRingIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38220     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolRingIter_HasMore" "', argument " "1"" of type '" "OpenBabel::OBMolRingIter const *""'");  }
38221    arg1 = reinterpret_cast< OpenBabel::OBMolRingIter * >(argp1);
38222   result = (bool)((OpenBabel::OBMolRingIter const *)arg1)->operator bool(); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
38223   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolRingIter_inc__SWIG_0(SEXP self,SEXP s_swig_copy)38224 SWIGEXPORT SEXP R_swig_OBMolRingIter_inc__SWIG_0 ( SEXP self, SEXP s_swig_copy) { OpenBabel::OBMolRingIter *result = 0 ;
38225   OpenBabel::OBMolRingIter *arg1 = (OpenBabel::OBMolRingIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
38226   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38227   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolRingIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38228     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolRingIter_inc" "', argument " "1"" of type '" "OpenBabel::OBMolRingIter *""'");  }
38229    arg1 = reinterpret_cast< OpenBabel::OBMolRingIter * >(argp1); result = (OpenBabel::OBMolRingIter *) &(arg1)->operator ++();
38230   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMolRingIter, R_SWIG_EXTERNAL |  0 );
38231   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolRingIter_inc__SWIG_1(SEXP self,SEXP s_arg2,SEXP s_swig_copy)38232 SWIGEXPORT SEXP R_swig_OBMolRingIter_inc__SWIG_1 ( SEXP self, SEXP s_arg2, SEXP s_swig_copy) { OpenBabel::OBMolRingIter result;
38233   OpenBabel::OBMolRingIter *arg1 = (OpenBabel::OBMolRingIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
38234   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38235   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolRingIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38236     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolRingIter_inc" "', argument " "1"" of type '" "OpenBabel::OBMolRingIter *""'");  }
38237    arg1 = reinterpret_cast< OpenBabel::OBMolRingIter * >(argp1); arg2 = static_cast< int >(INTEGER(s_arg2)[0]);
38238   result = (arg1)->operator ++(arg2);
38239   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBMolRingIter(static_cast< const OpenBabel::OBMolRingIter& >(result))), SWIGTYPE_p_OpenBabel__OBMolRingIter, SWIG_POINTER_OWN |  0 );
38240   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolRingIter___deref__(SEXP self)38241 SWIGEXPORT SEXP R_swig_OBMolRingIter___deref__ ( SEXP self) { OpenBabel::OBRing *result = 0 ;
38242   OpenBabel::OBMolRingIter *arg1 = (OpenBabel::OBMolRingIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
38243   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38244   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolRingIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38245     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolRingIter___deref__" "', argument " "1"" of type '" "OpenBabel::OBMolRingIter const *""'");  }
38246    arg1 = reinterpret_cast< OpenBabel::OBMolRingIter * >(argp1);
38247   result = (OpenBabel::OBRing *)((OpenBabel::OBMolRingIter const *)arg1)->operator ->();
38248   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBRing, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
38249   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolRingIter___ref__(SEXP self,SEXP s_swig_copy)38250 SWIGEXPORT SEXP R_swig_OBMolRingIter___ref__ ( SEXP self, SEXP s_swig_copy) { OpenBabel::OBRing *result = 0 ;
38251   OpenBabel::OBMolRingIter *arg1 = (OpenBabel::OBMolRingIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
38252   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38253   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolRingIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38254     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolRingIter___ref__" "', argument " "1"" of type '" "OpenBabel::OBMolRingIter const *""'");  }
38255    arg1 = reinterpret_cast< OpenBabel::OBMolRingIter * >(argp1);
38256   result = (OpenBabel::OBRing *) &((OpenBabel::OBMolRingIter const *)arg1)->operator *();
38257   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBRing, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
38258   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolRingIter_ring_id_set(SEXP self,SEXP s_ring_id)38259 SWIGEXPORT SEXP R_swig_OBMolRingIter_ring_id_set ( SEXP self, SEXP s_ring_id) {
38260   OpenBabel::OBMolRingIter *arg1 = (OpenBabel::OBMolRingIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
38261   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38262   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolRingIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38263     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolRingIter_ring_id_set" "', argument " "1"" of type '" "OpenBabel::OBMolRingIter *""'");  }
38264    arg1 = reinterpret_cast< OpenBabel::OBMolRingIter * >(argp1); arg2 = static_cast< int >(INTEGER(s_ring_id)[0]);
38265   if (arg1) (*arg1)->ring_id = arg2; r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
38266   return r_ans; }
R_swig_OBMolRingIter_ring_id_get(SEXP self,SEXP s_swig_copy)38267 SWIGEXPORT SEXP R_swig_OBMolRingIter_ring_id_get ( SEXP self, SEXP s_swig_copy) { int result;
38268   OpenBabel::OBMolRingIter *arg1 = (OpenBabel::OBMolRingIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
38269   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38270   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolRingIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38271     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolRingIter_ring_id_get" "', argument " "1"" of type '" "OpenBabel::OBMolRingIter *""'");  }
38272    arg1 = reinterpret_cast< OpenBabel::OBMolRingIter * >(argp1); result = (int) ((*arg1)->ring_id);
38273   r_ans = Rf_ScalarInteger(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolRingIter__path_set(SEXP self,SEXP s_path)38274 SWIGEXPORT SEXP R_swig_OBMolRingIter__path_set ( SEXP self, SEXP s_path) {
38275   OpenBabel::OBMolRingIter *arg1 = (OpenBabel::OBMolRingIter *) 0 ; std::vector< int,std::allocator< int > > *arg2 = 0 ;
38276   void *argp1 = 0 ; int res1 = 0 ; int res2 = SWIG_OLDOBJ ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
38277   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolRingIter, 0 |  0 );
38278   if (!SWIG_IsOK(res1)) {
38279     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolRingIter__path_set" "', argument " "1"" of type '" "OpenBabel::OBMolRingIter *""'");  }
38280    arg1 = reinterpret_cast< OpenBabel::OBMolRingIter * >(argp1); {
38281     std::vector<int,std::allocator< int > > *ptr = (std::vector<int,std::allocator< int > > *)0;
38282     res2 = swig::asptr(s_path, &ptr); if (!SWIG_IsOK(res2)) {
38283       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolRingIter__path_set" "', argument " "2"" of type '" "std::vector< int,std::allocator< int > > const &""'"); }
38284      if (!ptr) {
38285       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolRingIter__path_set" "', argument " "2"" of type '" "std::vector< int,std::allocator< int > > const &""'"); }
38286      arg2 = ptr; }  if (arg1) (*arg1)->_path = *arg2; r_ans = R_NilValue; if (SWIG_IsNewObj(res2)) delete arg2; vmaxset(r_vmax);
38287   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolRingIter__path_get(SEXP self,SEXP s_swig_copy)38288 SWIGEXPORT SEXP R_swig_OBMolRingIter__path_get ( SEXP self, SEXP s_swig_copy) {
38289   std::vector< int,std::allocator< int > > *result = 0 ; OpenBabel::OBMolRingIter *arg1 = (OpenBabel::OBMolRingIter *) 0 ;
38290   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38291   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolRingIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38292     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolRingIter__path_get" "', argument " "1"" of type '" "OpenBabel::OBMolRingIter *""'");  }
38293    arg1 = reinterpret_cast< OpenBabel::OBMolRingIter * >(argp1);
38294   result = (std::vector< int,std::allocator< int > > *) & ((*arg1)->_path);
38295   r_ans = swig::from(static_cast< std::vector<int,std::allocator< int > > >(*result)); vmaxset(r_vmax);
38296   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolRingIter__pathset_set(SEXP self,SEXP s_pathset)38297 SWIGEXPORT SEXP R_swig_OBMolRingIter__pathset_set ( SEXP self, SEXP s_pathset) {
38298   OpenBabel::OBMolRingIter *arg1 = (OpenBabel::OBMolRingIter *) 0 ; OpenBabel::OBBitVec *arg2 = 0 ; void *argp1 = 0 ;
38299   int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
38300   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolRingIter, 0 |  0 );
38301   if (!SWIG_IsOK(res1)) {
38302     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolRingIter__pathset_set" "', argument " "1"" of type '" "OpenBabel::OBMolRingIter *""'");  }
38303    arg1 = reinterpret_cast< OpenBabel::OBMolRingIter * >(argp1);
38304   res2 = SWIG_R_ConvertPtr(s_pathset, &argp2, SWIGTYPE_p_OpenBabel__OBBitVec,  0 ); if (!SWIG_IsOK(res2)) {
38305     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolRingIter__pathset_set" "', argument " "2"" of type '" "OpenBabel::OBBitVec const &""'");  }
38306    if (!argp2) {
38307     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolRingIter__pathset_set" "', argument " "2"" of type '" "OpenBabel::OBBitVec const &""'"); }
38308    arg2 = reinterpret_cast< OpenBabel::OBBitVec * >(argp2); if (arg1) (*arg1)->_pathset = *arg2; r_ans = R_NilValue;
38309   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolRingIter__pathset_get(SEXP self,SEXP s_swig_copy)38310 SWIGEXPORT SEXP R_swig_OBMolRingIter__pathset_get ( SEXP self, SEXP s_swig_copy) { OpenBabel::OBBitVec *result = 0 ;
38311   OpenBabel::OBMolRingIter *arg1 = (OpenBabel::OBMolRingIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
38312   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38313   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolRingIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38314     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolRingIter__pathset_get" "', argument " "1"" of type '" "OpenBabel::OBMolRingIter *""'");  }
38315    arg1 = reinterpret_cast< OpenBabel::OBMolRingIter * >(argp1); result = (OpenBabel::OBBitVec *) & ((*arg1)->_pathset);
38316   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBBitVec, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
38317   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolRingIter_Size(SEXP self,SEXP s_swig_copy)38318 SWIGEXPORT SEXP R_swig_OBMolRingIter_Size ( SEXP self, SEXP s_swig_copy) { size_t result;
38319   OpenBabel::OBMolRingIter *arg1 = (OpenBabel::OBMolRingIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
38320   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38321   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolRingIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38322     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolRingIter_Size" "', argument " "1"" of type '" "OpenBabel::OBMolRingIter const *""'");  }
38323    arg1 = reinterpret_cast< OpenBabel::OBMolRingIter * >(argp1); result = (*arg1)->Size();
38324   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolRingIter_PathSize(SEXP self,SEXP s_swig_copy)38325 SWIGEXPORT SEXP R_swig_OBMolRingIter_PathSize ( SEXP self, SEXP s_swig_copy) { size_t result;
38326   OpenBabel::OBMolRingIter *arg1 = (OpenBabel::OBMolRingIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
38327   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38328   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolRingIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38329     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolRingIter_PathSize" "', argument " "1"" of type '" "OpenBabel::OBMolRingIter const *""'");  }
38330    arg1 = reinterpret_cast< OpenBabel::OBMolRingIter * >(argp1); result = (*arg1)->PathSize();
38331   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolRingIter_IsAromatic(SEXP self,SEXP s_swig_copy)38332 SWIGEXPORT SEXP R_swig_OBMolRingIter_IsAromatic ( SEXP self, SEXP s_swig_copy) { bool result;
38333   OpenBabel::OBMolRingIter *arg1 = (OpenBabel::OBMolRingIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
38334   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38335   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolRingIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38336     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolRingIter_IsAromatic" "', argument " "1"" of type '" "OpenBabel::OBMolRingIter *""'");  }
38337    arg1 = reinterpret_cast< OpenBabel::OBMolRingIter * >(argp1); result = (bool)(*arg1)->IsAromatic();
38338   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolRingIter_SetType__SWIG_0(SEXP self,SEXP type)38339 SWIGEXPORT SEXP R_swig_OBMolRingIter_SetType__SWIG_0 ( SEXP self, SEXP type) {
38340   OpenBabel::OBMolRingIter *arg1 = (OpenBabel::OBMolRingIter *) 0 ; char *arg2 = (char *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
38341   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38342   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolRingIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38343     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolRingIter_SetType" "', argument " "1"" of type '" "OpenBabel::OBMolRingIter *""'");  }
38344    arg1 = reinterpret_cast< OpenBabel::OBMolRingIter * >(argp1);
38345   arg2 = reinterpret_cast< char * >(SWIG_strdup(CHAR(STRING_ELT(type, 0)))); (*arg1)->SetType(arg2); r_ans = R_NilValue;
38346   free(arg2); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolRingIter_SetType__SWIG_1(SEXP self,SEXP type)38347 SWIGEXPORT SEXP R_swig_OBMolRingIter_SetType__SWIG_1 ( SEXP self, SEXP type) {
38348   OpenBabel::OBMolRingIter *arg1 = (OpenBabel::OBMolRingIter *) 0 ; std::string *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ;
38349   void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38350   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolRingIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38351     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolRingIter_SetType" "', argument " "1"" of type '" "OpenBabel::OBMolRingIter *""'");  }
38352    arg1 = reinterpret_cast< OpenBabel::OBMolRingIter * >(argp1);
38353   res2 = SWIG_R_ConvertPtr(type, &argp2, SWIGTYPE_p_std__string,  0 ); if (!SWIG_IsOK(res2)) {
38354     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolRingIter_SetType" "', argument " "2"" of type '" "std::string &""'");  }
38355    if (!argp2) {
38356     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolRingIter_SetType" "', argument " "2"" of type '" "std::string &""'"); }
38357    arg2 = reinterpret_cast< std::string * >(argp2); (*arg1)->SetType(*arg2); r_ans = R_NilValue; vmaxset(r_vmax);
38358   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolRingIter_GetType(SEXP self)38359 SWIGEXPORT SEXP R_swig_OBMolRingIter_GetType ( SEXP self) { char *result = 0 ;
38360   OpenBabel::OBMolRingIter *arg1 = (OpenBabel::OBMolRingIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
38361   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38362   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolRingIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38363     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolRingIter_GetType" "', argument " "1"" of type '" "OpenBabel::OBMolRingIter *""'");  }
38364    arg1 = reinterpret_cast< OpenBabel::OBMolRingIter * >(argp1); result = (char *)(*arg1)->GetType();
38365   r_ans = result ? Rf_mkString(reinterpret_cast< char * >(result)) : R_NilValue; vmaxset(r_vmax);
38366   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolRingIter_GetRootAtom(SEXP self,SEXP s_swig_copy)38367 SWIGEXPORT SEXP R_swig_OBMolRingIter_GetRootAtom ( SEXP self, SEXP s_swig_copy) { unsigned int result;
38368   OpenBabel::OBMolRingIter *arg1 = (OpenBabel::OBMolRingIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
38369   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38370   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolRingIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38371     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolRingIter_GetRootAtom" "', argument " "1"" of type '" "OpenBabel::OBMolRingIter *""'");  }
38372    arg1 = reinterpret_cast< OpenBabel::OBMolRingIter * >(argp1); result = (unsigned int)(*arg1)->GetRootAtom();
38373   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolRingIter_IsMember__SWIG_0(SEXP self,SEXP a,SEXP s_swig_copy)38374 SWIGEXPORT SEXP R_swig_OBMolRingIter_IsMember__SWIG_0 ( SEXP self, SEXP a, SEXP s_swig_copy) { bool result;
38375   OpenBabel::OBMolRingIter *arg1 = (OpenBabel::OBMolRingIter *) 0 ; OpenBabel::OBAtom *arg2 = (OpenBabel::OBAtom *) 0 ;
38376   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
38377   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolRingIter, 0 |  0 );
38378   if (!SWIG_IsOK(res1)) {
38379     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolRingIter_IsMember" "', argument " "1"" of type '" "OpenBabel::OBMolRingIter *""'");  }
38380    arg1 = reinterpret_cast< OpenBabel::OBMolRingIter * >(argp1);
38381   res2 = SWIG_R_ConvertPtr(a, &argp2, SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 ); if (!SWIG_IsOK(res2)) {
38382     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolRingIter_IsMember" "', argument " "2"" of type '" "OpenBabel::OBAtom *""'");  }
38383    arg2 = reinterpret_cast< OpenBabel::OBAtom * >(argp2); result = (bool)(*arg1)->IsMember(arg2);
38384   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolRingIter_IsMember__SWIG_1(SEXP self,SEXP b,SEXP s_swig_copy)38385 SWIGEXPORT SEXP R_swig_OBMolRingIter_IsMember__SWIG_1 ( SEXP self, SEXP b, SEXP s_swig_copy) { bool result;
38386   OpenBabel::OBMolRingIter *arg1 = (OpenBabel::OBMolRingIter *) 0 ; OpenBabel::OBBond *arg2 = (OpenBabel::OBBond *) 0 ;
38387   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
38388   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolRingIter, 0 |  0 );
38389   if (!SWIG_IsOK(res1)) {
38390     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolRingIter_IsMember" "', argument " "1"" of type '" "OpenBabel::OBMolRingIter *""'");  }
38391    arg1 = reinterpret_cast< OpenBabel::OBMolRingIter * >(argp1);
38392   res2 = SWIG_R_ConvertPtr(b, &argp2, SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 ); if (!SWIG_IsOK(res2)) {
38393     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolRingIter_IsMember" "', argument " "2"" of type '" "OpenBabel::OBBond *""'");  }
38394    arg2 = reinterpret_cast< OpenBabel::OBBond * >(argp2); result = (bool)(*arg1)->IsMember(arg2);
38395   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolRingIter_IsInRing(SEXP self,SEXP i,SEXP s_swig_copy)38396 SWIGEXPORT SEXP R_swig_OBMolRingIter_IsInRing ( SEXP self, SEXP i, SEXP s_swig_copy) { bool result;
38397   OpenBabel::OBMolRingIter *arg1 = (OpenBabel::OBMolRingIter *) 0 ; int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
38398   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38399   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolRingIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38400     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolRingIter_IsInRing" "', argument " "1"" of type '" "OpenBabel::OBMolRingIter *""'");  }
38401    arg1 = reinterpret_cast< OpenBabel::OBMolRingIter * >(argp1); arg2 = static_cast< int >(INTEGER(i)[0]);
38402   result = (bool)(*arg1)->IsInRing(arg2); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
38403   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolRingIter_SetParent(SEXP self,SEXP m)38404 SWIGEXPORT SEXP R_swig_OBMolRingIter_SetParent ( SEXP self, SEXP m) {
38405   OpenBabel::OBMolRingIter *arg1 = (OpenBabel::OBMolRingIter *) 0 ; OpenBabel::OBMol *arg2 = (OpenBabel::OBMol *) 0 ;
38406   void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
38407   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolRingIter, 0 |  0 );
38408   if (!SWIG_IsOK(res1)) {
38409     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolRingIter_SetParent" "', argument " "1"" of type '" "OpenBabel::OBMolRingIter *""'");  }
38410    arg1 = reinterpret_cast< OpenBabel::OBMolRingIter * >(argp1);
38411   res2 = SWIG_R_ConvertPtr(m, &argp2, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res2)) {
38412     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolRingIter_SetParent" "', argument " "2"" of type '" "OpenBabel::OBMol *""'");  }
38413    arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); (*arg1)->SetParent(arg2); r_ans = R_NilValue; vmaxset(r_vmax);
38414   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolRingIter_GetParent(SEXP self)38415 SWIGEXPORT SEXP R_swig_OBMolRingIter_GetParent ( SEXP self) { OpenBabel::OBMol *result = 0 ;
38416   OpenBabel::OBMolRingIter *arg1 = (OpenBabel::OBMolRingIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
38417   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38418   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolRingIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38419     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolRingIter_GetParent" "', argument " "1"" of type '" "OpenBabel::OBMolRingIter *""'");  }
38420    arg1 = reinterpret_cast< OpenBabel::OBMolRingIter * >(argp1); result = (OpenBabel::OBMol *)(*arg1)->GetParent();
38421   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBMol, R_SWIG_EXTERNAL |  0 ); vmaxset(r_vmax);
38422   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBMolRingIter_findCenterAndNormal(SEXP self,SEXP center,SEXP norm1,SEXP norm2,SEXP s_swig_copy)38423 SWIGEXPORT SEXP R_swig_OBMolRingIter_findCenterAndNormal ( SEXP self, SEXP center, SEXP norm1, SEXP norm2, SEXP s_swig_copy) {
38424   bool result; OpenBabel::OBMolRingIter *arg1 = (OpenBabel::OBMolRingIter *) 0 ; OpenBabel::vector3 *arg2 = 0 ;
38425   OpenBabel::vector3 *arg3 = 0 ; OpenBabel::vector3 *arg4 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ;
38426   int res2 = 0 ; void *argp3 = 0 ; int res3 = 0 ; void *argp4 = 0 ; int res4 = 0 ; unsigned int r_nprotect = 0;
38427   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38428   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBMolRingIter, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38429     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBMolRingIter_findCenterAndNormal" "', argument " "1"" of type '" "OpenBabel::OBMolRingIter *""'");  }
38430    arg1 = reinterpret_cast< OpenBabel::OBMolRingIter * >(argp1);
38431   res2 = SWIG_R_ConvertPtr(center, &argp2, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res2)) {
38432     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBMolRingIter_findCenterAndNormal" "', argument " "2"" of type '" "OpenBabel::vector3 &""'");  }
38433    if (!argp2) {
38434     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolRingIter_findCenterAndNormal" "', argument " "2"" of type '" "OpenBabel::vector3 &""'"); }
38435    arg2 = reinterpret_cast< OpenBabel::vector3 * >(argp2);
38436   res3 = SWIG_R_ConvertPtr(norm1, &argp3, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res3)) {
38437     SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "OBMolRingIter_findCenterAndNormal" "', argument " "3"" of type '" "OpenBabel::vector3 &""'");  }
38438    if (!argp3) {
38439     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolRingIter_findCenterAndNormal" "', argument " "3"" of type '" "OpenBabel::vector3 &""'"); }
38440    arg3 = reinterpret_cast< OpenBabel::vector3 * >(argp3);
38441   res4 = SWIG_R_ConvertPtr(norm2, &argp4, SWIGTYPE_p_OpenBabel__vector3,  0 ); if (!SWIG_IsOK(res4)) {
38442     SWIG_exception_fail(SWIG_ArgError(res4), "in method '" "OBMolRingIter_findCenterAndNormal" "', argument " "4"" of type '" "OpenBabel::vector3 &""'");  }
38443    if (!argp4) {
38444     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBMolRingIter_findCenterAndNormal" "', argument " "4"" of type '" "OpenBabel::vector3 &""'"); }
38445    arg4 = reinterpret_cast< OpenBabel::vector3 * >(argp4); result = (bool)(*arg1)->findCenterAndNormal(*arg2,*arg3,*arg4);
38446   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBTetraNonPlanarStereo(SEXP self)38447 SWIGEXPORT SEXP R_swig_delete_OBTetraNonPlanarStereo ( SEXP self) {
38448   OpenBabel::OBTetraNonPlanarStereo *arg1 = (OpenBabel::OBTetraNonPlanarStereo *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
38449   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38450   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTetraNonPlanarStereo, SWIG_POINTER_DISOWN |  0 );
38451   if (!SWIG_IsOK(res1)) {
38452     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBTetraNonPlanarStereo" "', argument " "1"" of type '" "OpenBabel::OBTetraNonPlanarStereo *""'");  }
38453    arg1 = reinterpret_cast< OpenBabel::OBTetraNonPlanarStereo * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
38454   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_delete_OBTetraPlanarStereo(SEXP self)38455 SWIGEXPORT SEXP R_swig_delete_OBTetraPlanarStereo ( SEXP self) {
38456   OpenBabel::OBTetraPlanarStereo *arg1 = (OpenBabel::OBTetraPlanarStereo *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
38457   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38458   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTetraPlanarStereo, SWIG_POINTER_DISOWN |  0 );
38459   if (!SWIG_IsOK(res1)) {
38460     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBTetraPlanarStereo" "', argument " "1"" of type '" "OpenBabel::OBTetraPlanarStereo *""'");  }
38461    arg1 = reinterpret_cast< OpenBabel::OBTetraPlanarStereo * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
38462   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_new_OBTetrahedralStereo(SEXP mol)38463 SWIGEXPORT SEXP R_swig_new_OBTetrahedralStereo ( SEXP mol) { OpenBabel::OBTetrahedralStereo *result = 0 ;
38464   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
38465   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38466   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38467     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBTetrahedralStereo" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
38468    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
38469   result = (OpenBabel::OBTetrahedralStereo *)new OpenBabel::OBTetrahedralStereo(arg1);
38470   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBTetrahedralStereo, R_SWIG_OWNER |  0 );
38471   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBTetrahedralStereo(SEXP self)38472 SWIGEXPORT SEXP R_swig_delete_OBTetrahedralStereo ( SEXP self) {
38473   OpenBabel::OBTetrahedralStereo *arg1 = (OpenBabel::OBTetrahedralStereo *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
38474   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38475   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTetrahedralStereo, SWIG_POINTER_DISOWN |  0 );
38476   if (!SWIG_IsOK(res1)) {
38477     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBTetrahedralStereo" "', argument " "1"" of type '" "OpenBabel::OBTetrahedralStereo *""'");  }
38478    arg1 = reinterpret_cast< OpenBabel::OBTetrahedralStereo * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
38479   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBTetrahedralStereo_IsValid(SEXP self,SEXP s_swig_copy)38480 SWIGEXPORT SEXP R_swig_OBTetrahedralStereo_IsValid ( SEXP self, SEXP s_swig_copy) { bool result;
38481   OpenBabel::OBTetrahedralStereo *arg1 = (OpenBabel::OBTetrahedralStereo *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
38482   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38483   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTetrahedralStereo, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38484     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTetrahedralStereo_IsValid" "', argument " "1"" of type '" "OpenBabel::OBTetrahedralStereo const *""'");  }
38485    arg1 = reinterpret_cast< OpenBabel::OBTetrahedralStereo * >(argp1);
38486   result = (bool)((OpenBabel::OBTetrahedralStereo const *)arg1)->IsValid(); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
38487   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBTetrahedralStereo_SetConfig(SEXP self,SEXP config)38488 SWIGEXPORT SEXP R_swig_OBTetrahedralStereo_SetConfig ( SEXP self, SEXP config) {
38489   OpenBabel::OBTetrahedralStereo *arg1 = (OpenBabel::OBTetrahedralStereo *) 0 ; OpenBabel::OBTetrahedralConfig *arg2 = 0 ;
38490   void *argp1 = 0 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
38491   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTetrahedralStereo, 0 |  0 );
38492   if (!SWIG_IsOK(res1)) {
38493     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTetrahedralStereo_SetConfig" "', argument " "1"" of type '" "OpenBabel::OBTetrahedralStereo *""'");  }
38494    arg1 = reinterpret_cast< OpenBabel::OBTetrahedralStereo * >(argp1);
38495   res2 = SWIG_R_ConvertPtr(config, &argp2, SWIGTYPE_p_OpenBabel__OBTetrahedralConfig,  0 ); if (!SWIG_IsOK(res2)) {
38496     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBTetrahedralStereo_SetConfig" "', argument " "2"" of type '" "OpenBabel::OBTetrahedralConfig const &""'");  }
38497    if (!argp2) {
38498     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBTetrahedralStereo_SetConfig" "', argument " "2"" of type '" "OpenBabel::OBTetrahedralConfig const &""'"); }
38499    arg2 = reinterpret_cast< OpenBabel::OBTetrahedralConfig * >(argp2);
38500   OpenBabel_OBTetrahedralStereo_SetConfig(arg1,(OpenBabel::OBTetrahedralConfig const &)*arg2); r_ans = R_NilValue;
38501   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBTetrahedralStereo_GetConfig__SWIG_0(SEXP self,SEXP winding,SEXP view,SEXP s_swig_copy)38502 SWIGEXPORT SEXP R_swig_OBTetrahedralStereo_GetConfig__SWIG_0 ( SEXP self, SEXP winding, SEXP view, SEXP s_swig_copy) {
38503   OpenBabel::OBTetrahedralConfig result; OpenBabel::OBTetrahedralStereo *arg1 = (OpenBabel::OBTetrahedralStereo *) 0 ;
38504   OpenBabel::OBStereo::Winding arg2 ; OpenBabel::OBStereo::View arg3 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ;
38505   int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
38506   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTetrahedralStereo, 0 |  0 );
38507   if (!SWIG_IsOK(res1)) {
38508     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTetrahedralStereo_GetConfig" "', argument " "1"" of type '" "OpenBabel::OBTetrahedralStereo *""'");  }
38509    arg1 = reinterpret_cast< OpenBabel::OBTetrahedralStereo * >(argp1); ecode2 = SWIG_AsVal_int(winding, &val2);
38510   if (!SWIG_IsOK(ecode2)) {
38511     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBTetrahedralStereo_GetConfig" "', argument " "2"" of type '" "OpenBabel::OBStereo::Winding""'"); }
38512     arg2 = static_cast< OpenBabel::OBStereo::Winding >(val2); ecode3 = SWIG_AsVal_int(view, &val3); if (!SWIG_IsOK(ecode3)) {
38513     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "OBTetrahedralStereo_GetConfig" "', argument " "3"" of type '" "OpenBabel::OBStereo::View""'"); }
38514     arg3 = static_cast< OpenBabel::OBStereo::View >(val3);
38515   result = OpenBabel_OBTetrahedralStereo_GetConfig__SWIG_0(arg1,arg2,arg3);
38516   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBTetrahedralConfig(static_cast< const OpenBabel::OBTetrahedralConfig& >(result))), SWIGTYPE_p_OpenBabel__OBTetrahedralConfig, SWIG_POINTER_OWN |  0 );
38517   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBTetrahedralStereo_GetConfig__SWIG_1(SEXP self,SEXP winding,SEXP s_swig_copy)38518 SWIGEXPORT SEXP R_swig_OBTetrahedralStereo_GetConfig__SWIG_1 ( SEXP self, SEXP winding, SEXP s_swig_copy) {
38519   OpenBabel::OBTetrahedralConfig result; OpenBabel::OBTetrahedralStereo *arg1 = (OpenBabel::OBTetrahedralStereo *) 0 ;
38520   OpenBabel::OBStereo::Winding arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0;
38521   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38522   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTetrahedralStereo, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38523     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTetrahedralStereo_GetConfig" "', argument " "1"" of type '" "OpenBabel::OBTetrahedralStereo *""'");  }
38524    arg1 = reinterpret_cast< OpenBabel::OBTetrahedralStereo * >(argp1); ecode2 = SWIG_AsVal_int(winding, &val2);
38525   if (!SWIG_IsOK(ecode2)) {
38526     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBTetrahedralStereo_GetConfig" "', argument " "2"" of type '" "OpenBabel::OBStereo::Winding""'"); }
38527     arg2 = static_cast< OpenBabel::OBStereo::Winding >(val2);
38528   result = OpenBabel_OBTetrahedralStereo_GetConfig__SWIG_0(arg1,arg2);
38529   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBTetrahedralConfig(static_cast< const OpenBabel::OBTetrahedralConfig& >(result))), SWIGTYPE_p_OpenBabel__OBTetrahedralConfig, SWIG_POINTER_OWN |  0 );
38530   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBTetrahedralStereo_GetConfig__SWIG_2(SEXP self,SEXP s_swig_copy)38531 SWIGEXPORT SEXP R_swig_OBTetrahedralStereo_GetConfig__SWIG_2 ( SEXP self, SEXP s_swig_copy) {
38532   OpenBabel::OBTetrahedralConfig result; OpenBabel::OBTetrahedralStereo *arg1 = (OpenBabel::OBTetrahedralStereo *) 0 ;
38533   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38534   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTetrahedralStereo, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38535     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTetrahedralStereo_GetConfig" "', argument " "1"" of type '" "OpenBabel::OBTetrahedralStereo *""'");  }
38536    arg1 = reinterpret_cast< OpenBabel::OBTetrahedralStereo * >(argp1);
38537   result = OpenBabel_OBTetrahedralStereo_GetConfig__SWIG_0(arg1);
38538   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBTetrahedralConfig(static_cast< const OpenBabel::OBTetrahedralConfig& >(result))), SWIGTYPE_p_OpenBabel__OBTetrahedralConfig, SWIG_POINTER_OWN |  0 );
38539   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
38540 SWIGEXPORT SEXP
R_swig_OBTetrahedralStereo_GetConfig__SWIG_3(SEXP self,SEXP from_or_towards,SEXP winding,SEXP view,SEXP s_swig_copy)38541 R_swig_OBTetrahedralStereo_GetConfig__SWIG_3 ( SEXP self, SEXP from_or_towards, SEXP winding, SEXP view, SEXP s_swig_copy) {
38542   OpenBabel::OBTetrahedralConfig result; OpenBabel::OBTetrahedralStereo *arg1 = (OpenBabel::OBTetrahedralStereo *) 0 ;
38543   unsigned long arg2 ; OpenBabel::OBStereo::Winding arg3 ; OpenBabel::OBStereo::View arg4 ; void *argp1 = 0 ; int res1 = 0 ;
38544   long val2 ; int ecode2 = 0 ; int val3 ; int ecode3 = 0 ; int val4 ; int ecode4 = 0 ; unsigned int r_nprotect = 0;
38545   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38546   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTetrahedralStereo, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38547     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTetrahedralStereo_GetConfig" "', argument " "1"" of type '" "OpenBabel::OBTetrahedralStereo *""'");  }
38548    arg1 = reinterpret_cast< OpenBabel::OBTetrahedralStereo * >(argp1); ecode2 = SWIG_AsVal_long(from_or_towards, &val2);
38549   if (!SWIG_IsOK(ecode2)) {
38550     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBTetrahedralStereo_GetConfig" "', argument " "2"" of type '" "unsigned long""'"); }
38551     arg2 = static_cast< unsigned long >(val2); ecode3 = SWIG_AsVal_int(winding, &val3); if (!SWIG_IsOK(ecode3)) {
38552     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "OBTetrahedralStereo_GetConfig" "', argument " "3"" of type '" "OpenBabel::OBStereo::Winding""'"); }
38553     arg3 = static_cast< OpenBabel::OBStereo::Winding >(val3); ecode4 = SWIG_AsVal_int(view, &val4); if (!SWIG_IsOK(ecode4)) {
38554     SWIG_exception_fail(SWIG_ArgError(ecode4), "in method '" "OBTetrahedralStereo_GetConfig" "', argument " "4"" of type '" "OpenBabel::OBStereo::View""'"); }
38555     arg4 = static_cast< OpenBabel::OBStereo::View >(val4);
38556   result = OpenBabel_OBTetrahedralStereo_GetConfig__SWIG_3(arg1,arg2,arg3,arg4);
38557   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBTetrahedralConfig(static_cast< const OpenBabel::OBTetrahedralConfig& >(result))), SWIGTYPE_p_OpenBabel__OBTetrahedralConfig, SWIG_POINTER_OWN |  0 );
38558   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBTetrahedralStereo_GetConfig__SWIG_4(SEXP self,SEXP from_or_towards,SEXP winding,SEXP s_swig_copy)38559 SWIGEXPORT SEXP R_swig_OBTetrahedralStereo_GetConfig__SWIG_4 ( SEXP self, SEXP from_or_towards, SEXP winding, SEXP s_swig_copy)
38560 { OpenBabel::OBTetrahedralConfig result; OpenBabel::OBTetrahedralStereo *arg1 = (OpenBabel::OBTetrahedralStereo *) 0 ;
38561   unsigned long arg2 ; OpenBabel::OBStereo::Winding arg3 ; void *argp1 = 0 ; int res1 = 0 ; long val2 ; int ecode2 = 0 ;
38562   int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38563   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTetrahedralStereo, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38564     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTetrahedralStereo_GetConfig" "', argument " "1"" of type '" "OpenBabel::OBTetrahedralStereo *""'");  }
38565    arg1 = reinterpret_cast< OpenBabel::OBTetrahedralStereo * >(argp1); ecode2 = SWIG_AsVal_long(from_or_towards, &val2);
38566   if (!SWIG_IsOK(ecode2)) {
38567     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBTetrahedralStereo_GetConfig" "', argument " "2"" of type '" "unsigned long""'"); }
38568     arg2 = static_cast< unsigned long >(val2); ecode3 = SWIG_AsVal_int(winding, &val3); if (!SWIG_IsOK(ecode3)) {
38569     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "OBTetrahedralStereo_GetConfig" "', argument " "3"" of type '" "OpenBabel::OBStereo::Winding""'"); }
38570     arg3 = static_cast< OpenBabel::OBStereo::Winding >(val3);
38571   result = OpenBabel_OBTetrahedralStereo_GetConfig__SWIG_3(arg1,arg2,arg3);
38572   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBTetrahedralConfig(static_cast< const OpenBabel::OBTetrahedralConfig& >(result))), SWIGTYPE_p_OpenBabel__OBTetrahedralConfig, SWIG_POINTER_OWN |  0 );
38573   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBTetrahedralStereo_GetConfig__SWIG_5(SEXP self,SEXP from_or_towards,SEXP s_swig_copy)38574 SWIGEXPORT SEXP R_swig_OBTetrahedralStereo_GetConfig__SWIG_5 ( SEXP self, SEXP from_or_towards, SEXP s_swig_copy) {
38575   OpenBabel::OBTetrahedralConfig result; OpenBabel::OBTetrahedralStereo *arg1 = (OpenBabel::OBTetrahedralStereo *) 0 ;
38576   unsigned long arg2 ; void *argp1 = 0 ; int res1 = 0 ; long val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0;
38577   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38578   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTetrahedralStereo, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38579     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTetrahedralStereo_GetConfig" "', argument " "1"" of type '" "OpenBabel::OBTetrahedralStereo *""'");  }
38580    arg1 = reinterpret_cast< OpenBabel::OBTetrahedralStereo * >(argp1); ecode2 = SWIG_AsVal_long(from_or_towards, &val2);
38581   if (!SWIG_IsOK(ecode2)) {
38582     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBTetrahedralStereo_GetConfig" "', argument " "2"" of type '" "unsigned long""'"); }
38583     arg2 = static_cast< unsigned long >(val2); result = OpenBabel_OBTetrahedralStereo_GetConfig__SWIG_3(arg1,arg2);
38584   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBTetrahedralConfig(static_cast< const OpenBabel::OBTetrahedralConfig& >(result))), SWIGTYPE_p_OpenBabel__OBTetrahedralConfig, SWIG_POINTER_OWN |  0 );
38585   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBCisTransStereo(SEXP mol)38586 SWIGEXPORT SEXP R_swig_new_OBCisTransStereo ( SEXP mol) { OpenBabel::OBCisTransStereo *result = 0 ;
38587   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
38588   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38589   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38590     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBCisTransStereo" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
38591    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
38592   result = (OpenBabel::OBCisTransStereo *)new OpenBabel::OBCisTransStereo(arg1);
38593   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBCisTransStereo, R_SWIG_OWNER |  0 );
38594   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBCisTransStereo(SEXP self)38595 SWIGEXPORT SEXP R_swig_delete_OBCisTransStereo ( SEXP self) {
38596   OpenBabel::OBCisTransStereo *arg1 = (OpenBabel::OBCisTransStereo *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
38597   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38598   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBCisTransStereo, SWIG_POINTER_DISOWN |  0 );
38599   if (!SWIG_IsOK(res1)) {
38600     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBCisTransStereo" "', argument " "1"" of type '" "OpenBabel::OBCisTransStereo *""'");  }
38601    arg1 = reinterpret_cast< OpenBabel::OBCisTransStereo * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
38602   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBCisTransStereo_IsValid(SEXP self,SEXP s_swig_copy)38603 SWIGEXPORT SEXP R_swig_OBCisTransStereo_IsValid ( SEXP self, SEXP s_swig_copy) { bool result;
38604   OpenBabel::OBCisTransStereo *arg1 = (OpenBabel::OBCisTransStereo *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
38605   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38606   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBCisTransStereo, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38607     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBCisTransStereo_IsValid" "', argument " "1"" of type '" "OpenBabel::OBCisTransStereo const *""'");  }
38608    arg1 = reinterpret_cast< OpenBabel::OBCisTransStereo * >(argp1);
38609   result = (bool)((OpenBabel::OBCisTransStereo const *)arg1)->IsValid(); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
38610   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBCisTransStereo_IsOnSameAtom(SEXP self,SEXP id1,SEXP id2,SEXP s_swig_copy)38611 SWIGEXPORT SEXP R_swig_OBCisTransStereo_IsOnSameAtom ( SEXP self, SEXP id1, SEXP id2, SEXP s_swig_copy) { bool result;
38612   OpenBabel::OBCisTransStereo *arg1 = (OpenBabel::OBCisTransStereo *) 0 ; unsigned long arg2 ; unsigned long arg3 ;
38613   void *argp1 = 0 ; int res1 = 0 ; long val2 ; int ecode2 = 0 ; long val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0;
38614   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38615   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBCisTransStereo, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38616     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBCisTransStereo_IsOnSameAtom" "', argument " "1"" of type '" "OpenBabel::OBCisTransStereo const *""'");  }
38617    arg1 = reinterpret_cast< OpenBabel::OBCisTransStereo * >(argp1); ecode2 = SWIG_AsVal_long(id1, &val2);
38618   if (!SWIG_IsOK(ecode2)) {
38619     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBCisTransStereo_IsOnSameAtom" "', argument " "2"" of type '" "unsigned long""'"); }
38620     arg2 = static_cast< unsigned long >(val2); ecode3 = SWIG_AsVal_long(id2, &val3); if (!SWIG_IsOK(ecode3)) {
38621     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "OBCisTransStereo_IsOnSameAtom" "', argument " "3"" of type '" "unsigned long""'"); }
38622     arg3 = static_cast< unsigned long >(val3);
38623   result = (bool)((OpenBabel::OBCisTransStereo const *)arg1)->IsOnSameAtom(arg2,arg3); r_ans = Rf_ScalarLogical(result);
38624   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBCisTransStereo_IsTrans(SEXP self,SEXP id1,SEXP id2,SEXP s_swig_copy)38625 SWIGEXPORT SEXP R_swig_OBCisTransStereo_IsTrans ( SEXP self, SEXP id1, SEXP id2, SEXP s_swig_copy) { bool result;
38626   OpenBabel::OBCisTransStereo *arg1 = (OpenBabel::OBCisTransStereo *) 0 ; unsigned long arg2 ; unsigned long arg3 ;
38627   void *argp1 = 0 ; int res1 = 0 ; long val2 ; int ecode2 = 0 ; long val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0;
38628   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38629   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBCisTransStereo, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38630     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBCisTransStereo_IsTrans" "', argument " "1"" of type '" "OpenBabel::OBCisTransStereo const *""'");  }
38631    arg1 = reinterpret_cast< OpenBabel::OBCisTransStereo * >(argp1); ecode2 = SWIG_AsVal_long(id1, &val2);
38632   if (!SWIG_IsOK(ecode2)) {
38633     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBCisTransStereo_IsTrans" "', argument " "2"" of type '" "unsigned long""'"); }
38634     arg2 = static_cast< unsigned long >(val2); ecode3 = SWIG_AsVal_long(id2, &val3); if (!SWIG_IsOK(ecode3)) {
38635     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "OBCisTransStereo_IsTrans" "', argument " "3"" of type '" "unsigned long""'"); }
38636     arg3 = static_cast< unsigned long >(val3); result = (bool)((OpenBabel::OBCisTransStereo const *)arg1)->IsTrans(arg2,arg3);
38637   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBCisTransStereo_IsCis(SEXP self,SEXP id1,SEXP id2,SEXP s_swig_copy)38638 SWIGEXPORT SEXP R_swig_OBCisTransStereo_IsCis ( SEXP self, SEXP id1, SEXP id2, SEXP s_swig_copy) { bool result;
38639   OpenBabel::OBCisTransStereo *arg1 = (OpenBabel::OBCisTransStereo *) 0 ; unsigned long arg2 ; unsigned long arg3 ;
38640   void *argp1 = 0 ; int res1 = 0 ; long val2 ; int ecode2 = 0 ; long val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0;
38641   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38642   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBCisTransStereo, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38643     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBCisTransStereo_IsCis" "', argument " "1"" of type '" "OpenBabel::OBCisTransStereo const *""'");  }
38644    arg1 = reinterpret_cast< OpenBabel::OBCisTransStereo * >(argp1); ecode2 = SWIG_AsVal_long(id1, &val2);
38645   if (!SWIG_IsOK(ecode2)) {
38646     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBCisTransStereo_IsCis" "', argument " "2"" of type '" "unsigned long""'"); }
38647     arg2 = static_cast< unsigned long >(val2); ecode3 = SWIG_AsVal_long(id2, &val3); if (!SWIG_IsOK(ecode3)) {
38648     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "OBCisTransStereo_IsCis" "', argument " "3"" of type '" "unsigned long""'"); }
38649     arg3 = static_cast< unsigned long >(val3); result = (bool)((OpenBabel::OBCisTransStereo const *)arg1)->IsCis(arg2,arg3);
38650   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBCisTransStereo_GetTransRef(SEXP self,SEXP id,SEXP s_swig_copy)38651 SWIGEXPORT SEXP R_swig_OBCisTransStereo_GetTransRef ( SEXP self, SEXP id, SEXP s_swig_copy) { unsigned long result;
38652   OpenBabel::OBCisTransStereo *arg1 = (OpenBabel::OBCisTransStereo *) 0 ; unsigned long arg2 ; void *argp1 = 0 ; int res1 = 0 ;
38653   long val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38654   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBCisTransStereo, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38655     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBCisTransStereo_GetTransRef" "', argument " "1"" of type '" "OpenBabel::OBCisTransStereo const *""'");  }
38656    arg1 = reinterpret_cast< OpenBabel::OBCisTransStereo * >(argp1); ecode2 = SWIG_AsVal_long(id, &val2);
38657   if (!SWIG_IsOK(ecode2)) {
38658     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBCisTransStereo_GetTransRef" "', argument " "2"" of type '" "unsigned long""'"); }
38659     arg2 = static_cast< unsigned long >(val2);
38660   result = (unsigned long)((OpenBabel::OBCisTransStereo const *)arg1)->GetTransRef(arg2);
38661   r_ans = SWIG_From_long(static_cast< long >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBCisTransStereo_GetCisRef(SEXP self,SEXP id,SEXP s_swig_copy)38662 SWIGEXPORT SEXP R_swig_OBCisTransStereo_GetCisRef ( SEXP self, SEXP id, SEXP s_swig_copy) { unsigned long result;
38663   OpenBabel::OBCisTransStereo *arg1 = (OpenBabel::OBCisTransStereo *) 0 ; unsigned long arg2 ; void *argp1 = 0 ; int res1 = 0 ;
38664   long val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38665   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBCisTransStereo, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38666     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBCisTransStereo_GetCisRef" "', argument " "1"" of type '" "OpenBabel::OBCisTransStereo const *""'");  }
38667    arg1 = reinterpret_cast< OpenBabel::OBCisTransStereo * >(argp1); ecode2 = SWIG_AsVal_long(id, &val2);
38668   if (!SWIG_IsOK(ecode2)) {
38669     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBCisTransStereo_GetCisRef" "', argument " "2"" of type '" "unsigned long""'"); }
38670     arg2 = static_cast< unsigned long >(val2);
38671   result = (unsigned long)((OpenBabel::OBCisTransStereo const *)arg1)->GetCisRef(arg2);
38672   r_ans = SWIG_From_long(static_cast< long >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBCisTransStereo_SetConfig(SEXP self,SEXP config)38673 SWIGEXPORT SEXP R_swig_OBCisTransStereo_SetConfig ( SEXP self, SEXP config) {
38674   OpenBabel::OBCisTransStereo *arg1 = (OpenBabel::OBCisTransStereo *) 0 ; OpenBabel::OBCisTransConfig *arg2 = 0 ;
38675   void *argp1 = 0 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
38676   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBCisTransStereo, 0 |  0 );
38677   if (!SWIG_IsOK(res1)) {
38678     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBCisTransStereo_SetConfig" "', argument " "1"" of type '" "OpenBabel::OBCisTransStereo *""'");  }
38679    arg1 = reinterpret_cast< OpenBabel::OBCisTransStereo * >(argp1);
38680   res2 = SWIG_R_ConvertPtr(config, &argp2, SWIGTYPE_p_OpenBabel__OBCisTransConfig,  0 ); if (!SWIG_IsOK(res2)) {
38681     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBCisTransStereo_SetConfig" "', argument " "2"" of type '" "OpenBabel::OBCisTransConfig const &""'");  }
38682    if (!argp2) {
38683     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBCisTransStereo_SetConfig" "', argument " "2"" of type '" "OpenBabel::OBCisTransConfig const &""'"); }
38684    arg2 = reinterpret_cast< OpenBabel::OBCisTransConfig * >(argp2);
38685   OpenBabel_OBCisTransStereo_SetConfig(arg1,(OpenBabel::OBCisTransConfig const &)*arg2); r_ans = R_NilValue; vmaxset(r_vmax);
38686   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBCisTransStereo_GetConfig__SWIG_0(SEXP self,SEXP shape,SEXP s_swig_copy)38687 SWIGEXPORT SEXP R_swig_OBCisTransStereo_GetConfig__SWIG_0 ( SEXP self, SEXP shape, SEXP s_swig_copy) {
38688   OpenBabel::OBCisTransConfig result; OpenBabel::OBCisTransStereo *arg1 = (OpenBabel::OBCisTransStereo *) 0 ;
38689   OpenBabel::OBStereo::Shape arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0;
38690   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38691   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBCisTransStereo, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38692     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBCisTransStereo_GetConfig" "', argument " "1"" of type '" "OpenBabel::OBCisTransStereo *""'");  }
38693    arg1 = reinterpret_cast< OpenBabel::OBCisTransStereo * >(argp1); ecode2 = SWIG_AsVal_int(shape, &val2);
38694   if (!SWIG_IsOK(ecode2)) {
38695     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBCisTransStereo_GetConfig" "', argument " "2"" of type '" "OpenBabel::OBStereo::Shape""'"); }
38696     arg2 = static_cast< OpenBabel::OBStereo::Shape >(val2); result = OpenBabel_OBCisTransStereo_GetConfig__SWIG_0(arg1,arg2);
38697   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBCisTransConfig(static_cast< const OpenBabel::OBCisTransConfig& >(result))), SWIGTYPE_p_OpenBabel__OBCisTransConfig, SWIG_POINTER_OWN |  0 );
38698   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBCisTransStereo_GetConfig__SWIG_1(SEXP self,SEXP s_swig_copy)38699 SWIGEXPORT SEXP R_swig_OBCisTransStereo_GetConfig__SWIG_1 ( SEXP self, SEXP s_swig_copy) { OpenBabel::OBCisTransConfig result;
38700   OpenBabel::OBCisTransStereo *arg1 = (OpenBabel::OBCisTransStereo *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
38701   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38702   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBCisTransStereo, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38703     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBCisTransStereo_GetConfig" "', argument " "1"" of type '" "OpenBabel::OBCisTransStereo *""'");  }
38704    arg1 = reinterpret_cast< OpenBabel::OBCisTransStereo * >(argp1); result = OpenBabel_OBCisTransStereo_GetConfig__SWIG_0(arg1);
38705   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBCisTransConfig(static_cast< const OpenBabel::OBCisTransConfig& >(result))), SWIGTYPE_p_OpenBabel__OBCisTransConfig, SWIG_POINTER_OWN |  0 );
38706   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBCisTransStereo_GetConfig__SWIG_2(SEXP self,SEXP start,SEXP shape,SEXP s_swig_copy)38707 SWIGEXPORT SEXP R_swig_OBCisTransStereo_GetConfig__SWIG_2 ( SEXP self, SEXP start, SEXP shape, SEXP s_swig_copy) {
38708   OpenBabel::OBCisTransConfig result; OpenBabel::OBCisTransStereo *arg1 = (OpenBabel::OBCisTransStereo *) 0 ;
38709   unsigned long arg2 ; OpenBabel::OBStereo::Shape arg3 ; void *argp1 = 0 ; int res1 = 0 ; long val2 ; int ecode2 = 0 ;
38710   int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38711   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBCisTransStereo, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38712     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBCisTransStereo_GetConfig" "', argument " "1"" of type '" "OpenBabel::OBCisTransStereo *""'");  }
38713    arg1 = reinterpret_cast< OpenBabel::OBCisTransStereo * >(argp1); ecode2 = SWIG_AsVal_long(start, &val2);
38714   if (!SWIG_IsOK(ecode2)) {
38715     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBCisTransStereo_GetConfig" "', argument " "2"" of type '" "unsigned long""'"); }
38716     arg2 = static_cast< unsigned long >(val2); ecode3 = SWIG_AsVal_int(shape, &val3); if (!SWIG_IsOK(ecode3)) {
38717     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "OBCisTransStereo_GetConfig" "', argument " "3"" of type '" "OpenBabel::OBStereo::Shape""'"); }
38718     arg3 = static_cast< OpenBabel::OBStereo::Shape >(val3);
38719   result = OpenBabel_OBCisTransStereo_GetConfig__SWIG_2(arg1,arg2,arg3);
38720   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBCisTransConfig(static_cast< const OpenBabel::OBCisTransConfig& >(result))), SWIGTYPE_p_OpenBabel__OBCisTransConfig, SWIG_POINTER_OWN |  0 );
38721   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBCisTransStereo_GetConfig__SWIG_3(SEXP self,SEXP start,SEXP s_swig_copy)38722 SWIGEXPORT SEXP R_swig_OBCisTransStereo_GetConfig__SWIG_3 ( SEXP self, SEXP start, SEXP s_swig_copy) {
38723   OpenBabel::OBCisTransConfig result; OpenBabel::OBCisTransStereo *arg1 = (OpenBabel::OBCisTransStereo *) 0 ;
38724   unsigned long arg2 ; void *argp1 = 0 ; int res1 = 0 ; long val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0;
38725   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38726   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBCisTransStereo, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38727     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBCisTransStereo_GetConfig" "', argument " "1"" of type '" "OpenBabel::OBCisTransStereo *""'");  }
38728    arg1 = reinterpret_cast< OpenBabel::OBCisTransStereo * >(argp1); ecode2 = SWIG_AsVal_long(start, &val2);
38729   if (!SWIG_IsOK(ecode2)) {
38730     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBCisTransStereo_GetConfig" "', argument " "2"" of type '" "unsigned long""'"); }
38731     arg2 = static_cast< unsigned long >(val2); result = OpenBabel_OBCisTransStereo_GetConfig__SWIG_2(arg1,arg2);
38732   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBCisTransConfig(static_cast< const OpenBabel::OBCisTransConfig& >(result))), SWIGTYPE_p_OpenBabel__OBCisTransConfig, SWIG_POINTER_OWN |  0 );
38733   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBSquarePlanarStereo(SEXP mol)38734 SWIGEXPORT SEXP R_swig_new_OBSquarePlanarStereo ( SEXP mol) { OpenBabel::OBSquarePlanarStereo *result = 0 ;
38735   OpenBabel::OBMol *arg1 = (OpenBabel::OBMol *) 0 ; void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0;
38736   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38737   res1 = SWIG_R_ConvertPtr(mol, &argp1, SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38738     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "new_OBSquarePlanarStereo" "', argument " "1"" of type '" "OpenBabel::OBMol *""'");  }
38739    arg1 = reinterpret_cast< OpenBabel::OBMol * >(argp1);
38740   result = (OpenBabel::OBSquarePlanarStereo *)new OpenBabel::OBSquarePlanarStereo(arg1);
38741   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBSquarePlanarStereo, R_SWIG_OWNER |  0 );
38742   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBSquarePlanarStereo(SEXP self)38743 SWIGEXPORT SEXP R_swig_delete_OBSquarePlanarStereo ( SEXP self) {
38744   OpenBabel::OBSquarePlanarStereo *arg1 = (OpenBabel::OBSquarePlanarStereo *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
38745   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38746   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSquarePlanarStereo, SWIG_POINTER_DISOWN |  0 );
38747   if (!SWIG_IsOK(res1)) {
38748     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBSquarePlanarStereo" "', argument " "1"" of type '" "OpenBabel::OBSquarePlanarStereo *""'");  }
38749    arg1 = reinterpret_cast< OpenBabel::OBSquarePlanarStereo * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
38750   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBSquarePlanarStereo_IsValid(SEXP self,SEXP s_swig_copy)38751 SWIGEXPORT SEXP R_swig_OBSquarePlanarStereo_IsValid ( SEXP self, SEXP s_swig_copy) { bool result;
38752   OpenBabel::OBSquarePlanarStereo *arg1 = (OpenBabel::OBSquarePlanarStereo *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
38753   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38754   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSquarePlanarStereo, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38755     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSquarePlanarStereo_IsValid" "', argument " "1"" of type '" "OpenBabel::OBSquarePlanarStereo const *""'");  }
38756    arg1 = reinterpret_cast< OpenBabel::OBSquarePlanarStereo * >(argp1);
38757   result = (bool)((OpenBabel::OBSquarePlanarStereo const *)arg1)->IsValid(); r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax);
38758   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSquarePlanarStereo_IsTrans(SEXP self,SEXP id1,SEXP id2,SEXP s_swig_copy)38759 SWIGEXPORT SEXP R_swig_OBSquarePlanarStereo_IsTrans ( SEXP self, SEXP id1, SEXP id2, SEXP s_swig_copy) { bool result;
38760   OpenBabel::OBSquarePlanarStereo *arg1 = (OpenBabel::OBSquarePlanarStereo *) 0 ; unsigned long arg2 ; unsigned long arg3 ;
38761   void *argp1 = 0 ; int res1 = 0 ; long val2 ; int ecode2 = 0 ; long val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0;
38762   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38763   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSquarePlanarStereo, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38764     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSquarePlanarStereo_IsTrans" "', argument " "1"" of type '" "OpenBabel::OBSquarePlanarStereo const *""'");  }
38765    arg1 = reinterpret_cast< OpenBabel::OBSquarePlanarStereo * >(argp1); ecode2 = SWIG_AsVal_long(id1, &val2);
38766   if (!SWIG_IsOK(ecode2)) {
38767     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBSquarePlanarStereo_IsTrans" "', argument " "2"" of type '" "unsigned long""'"); }
38768     arg2 = static_cast< unsigned long >(val2); ecode3 = SWIG_AsVal_long(id2, &val3); if (!SWIG_IsOK(ecode3)) {
38769     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "OBSquarePlanarStereo_IsTrans" "', argument " "3"" of type '" "unsigned long""'"); }
38770     arg3 = static_cast< unsigned long >(val3);
38771   result = (bool)((OpenBabel::OBSquarePlanarStereo const *)arg1)->IsTrans(arg2,arg3); r_ans = Rf_ScalarLogical(result);
38772   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSquarePlanarStereo_IsCis(SEXP self,SEXP id1,SEXP id2,SEXP s_swig_copy)38773 SWIGEXPORT SEXP R_swig_OBSquarePlanarStereo_IsCis ( SEXP self, SEXP id1, SEXP id2, SEXP s_swig_copy) { bool result;
38774   OpenBabel::OBSquarePlanarStereo *arg1 = (OpenBabel::OBSquarePlanarStereo *) 0 ; unsigned long arg2 ; unsigned long arg3 ;
38775   void *argp1 = 0 ; int res1 = 0 ; long val2 ; int ecode2 = 0 ; long val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0;
38776   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38777   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSquarePlanarStereo, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38778     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSquarePlanarStereo_IsCis" "', argument " "1"" of type '" "OpenBabel::OBSquarePlanarStereo const *""'");  }
38779    arg1 = reinterpret_cast< OpenBabel::OBSquarePlanarStereo * >(argp1); ecode2 = SWIG_AsVal_long(id1, &val2);
38780   if (!SWIG_IsOK(ecode2)) {
38781     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBSquarePlanarStereo_IsCis" "', argument " "2"" of type '" "unsigned long""'"); }
38782     arg2 = static_cast< unsigned long >(val2); ecode3 = SWIG_AsVal_long(id2, &val3); if (!SWIG_IsOK(ecode3)) {
38783     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "OBSquarePlanarStereo_IsCis" "', argument " "3"" of type '" "unsigned long""'"); }
38784     arg3 = static_cast< unsigned long >(val3); result = (bool)((OpenBabel::OBSquarePlanarStereo const *)arg1)->IsCis(arg2,arg3);
38785   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSquarePlanarStereo_GetTransRef(SEXP self,SEXP id,SEXP s_swig_copy)38786 SWIGEXPORT SEXP R_swig_OBSquarePlanarStereo_GetTransRef ( SEXP self, SEXP id, SEXP s_swig_copy) { unsigned long result;
38787   OpenBabel::OBSquarePlanarStereo *arg1 = (OpenBabel::OBSquarePlanarStereo *) 0 ; unsigned long arg2 ; void *argp1 = 0 ;
38788   int res1 = 0 ; long val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
38789   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSquarePlanarStereo, 0 |  0 );
38790   if (!SWIG_IsOK(res1)) {
38791     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSquarePlanarStereo_GetTransRef" "', argument " "1"" of type '" "OpenBabel::OBSquarePlanarStereo const *""'");  }
38792    arg1 = reinterpret_cast< OpenBabel::OBSquarePlanarStereo * >(argp1); ecode2 = SWIG_AsVal_long(id, &val2);
38793   if (!SWIG_IsOK(ecode2)) {
38794     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBSquarePlanarStereo_GetTransRef" "', argument " "2"" of type '" "unsigned long""'"); }
38795     arg2 = static_cast< unsigned long >(val2);
38796   result = (unsigned long)((OpenBabel::OBSquarePlanarStereo const *)arg1)->GetTransRef(arg2);
38797   r_ans = SWIG_From_long(static_cast< long >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSquarePlanarStereo_GetCisRefs(SEXP self,SEXP id,SEXP s_swig_copy)38798 SWIGEXPORT SEXP R_swig_OBSquarePlanarStereo_GetCisRefs ( SEXP self, SEXP id, SEXP s_swig_copy) {
38799   SwigValueWrapper< std::vector< unsigned long,std::allocator< unsigned long > > > result;
38800   OpenBabel::OBSquarePlanarStereo *arg1 = (OpenBabel::OBSquarePlanarStereo *) 0 ; unsigned long arg2 ; void *argp1 = 0 ;
38801   int res1 = 0 ; long val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
38802   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSquarePlanarStereo, 0 |  0 );
38803   if (!SWIG_IsOK(res1)) {
38804     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSquarePlanarStereo_GetCisRefs" "', argument " "1"" of type '" "OpenBabel::OBSquarePlanarStereo const *""'");  }
38805    arg1 = reinterpret_cast< OpenBabel::OBSquarePlanarStereo * >(argp1); ecode2 = SWIG_AsVal_long(id, &val2);
38806   if (!SWIG_IsOK(ecode2)) {
38807     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBSquarePlanarStereo_GetCisRefs" "', argument " "2"" of type '" "unsigned long""'"); }
38808     arg2 = static_cast< unsigned long >(val2); result = ((OpenBabel::OBSquarePlanarStereo const *)arg1)->GetCisRefs(arg2);
38809   r_ans = SWIG_R_NewPointerObj((new std::vector< unsigned long,std::allocator< unsigned long > >(static_cast< const std::vector< unsigned long,std::allocator< unsigned long > >& >(result))), SWIGTYPE_p_std__vectorT_unsigned_long_std__allocatorT_unsigned_long_t_t, SWIG_POINTER_OWN |  0 );
38810   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSquarePlanarStereo_SetConfig(SEXP self,SEXP config)38811 SWIGEXPORT SEXP R_swig_OBSquarePlanarStereo_SetConfig ( SEXP self, SEXP config) {
38812   OpenBabel::OBSquarePlanarStereo *arg1 = (OpenBabel::OBSquarePlanarStereo *) 0 ; OpenBabel::OBSquarePlanarConfig *arg2 = 0 ;
38813   void *argp1 = 0 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
38814   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSquarePlanarStereo, 0 |  0 );
38815   if (!SWIG_IsOK(res1)) {
38816     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSquarePlanarStereo_SetConfig" "', argument " "1"" of type '" "OpenBabel::OBSquarePlanarStereo *""'");  }
38817    arg1 = reinterpret_cast< OpenBabel::OBSquarePlanarStereo * >(argp1);
38818   res2 = SWIG_R_ConvertPtr(config, &argp2, SWIGTYPE_p_OpenBabel__OBSquarePlanarConfig,  0 ); if (!SWIG_IsOK(res2)) {
38819     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBSquarePlanarStereo_SetConfig" "', argument " "2"" of type '" "OpenBabel::OBSquarePlanarConfig const &""'");  }
38820    if (!argp2) {
38821     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBSquarePlanarStereo_SetConfig" "', argument " "2"" of type '" "OpenBabel::OBSquarePlanarConfig const &""'"); }
38822    arg2 = reinterpret_cast< OpenBabel::OBSquarePlanarConfig * >(argp2);
38823   OpenBabel_OBSquarePlanarStereo_SetConfig(arg1,(OpenBabel::OBSquarePlanarConfig const &)*arg2); r_ans = R_NilValue;
38824   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSquarePlanarStereo_GetConfig__SWIG_0(SEXP self,SEXP shape,SEXP s_swig_copy)38825 SWIGEXPORT SEXP R_swig_OBSquarePlanarStereo_GetConfig__SWIG_0 ( SEXP self, SEXP shape, SEXP s_swig_copy) {
38826   OpenBabel::OBSquarePlanarConfig result; OpenBabel::OBSquarePlanarStereo *arg1 = (OpenBabel::OBSquarePlanarStereo *) 0 ;
38827   OpenBabel::OBStereo::Shape arg2 ; void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0;
38828   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38829   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSquarePlanarStereo, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38830     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSquarePlanarStereo_GetConfig" "', argument " "1"" of type '" "OpenBabel::OBSquarePlanarStereo *""'");  }
38831    arg1 = reinterpret_cast< OpenBabel::OBSquarePlanarStereo * >(argp1); ecode2 = SWIG_AsVal_int(shape, &val2);
38832   if (!SWIG_IsOK(ecode2)) {
38833     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBSquarePlanarStereo_GetConfig" "', argument " "2"" of type '" "OpenBabel::OBStereo::Shape""'"); }
38834     arg2 = static_cast< OpenBabel::OBStereo::Shape >(val2);
38835   result = OpenBabel_OBSquarePlanarStereo_GetConfig__SWIG_0(arg1,arg2);
38836   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBSquarePlanarConfig(static_cast< const OpenBabel::OBSquarePlanarConfig& >(result))), SWIGTYPE_p_OpenBabel__OBSquarePlanarConfig, SWIG_POINTER_OWN |  0 );
38837   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSquarePlanarStereo_GetConfig__SWIG_1(SEXP self,SEXP s_swig_copy)38838 SWIGEXPORT SEXP R_swig_OBSquarePlanarStereo_GetConfig__SWIG_1 ( SEXP self, SEXP s_swig_copy) {
38839   OpenBabel::OBSquarePlanarConfig result; OpenBabel::OBSquarePlanarStereo *arg1 = (OpenBabel::OBSquarePlanarStereo *) 0 ;
38840   void *argp1 = 0 ; int res1 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38841   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSquarePlanarStereo, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38842     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSquarePlanarStereo_GetConfig" "', argument " "1"" of type '" "OpenBabel::OBSquarePlanarStereo *""'");  }
38843    arg1 = reinterpret_cast< OpenBabel::OBSquarePlanarStereo * >(argp1);
38844   result = OpenBabel_OBSquarePlanarStereo_GetConfig__SWIG_0(arg1);
38845   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBSquarePlanarConfig(static_cast< const OpenBabel::OBSquarePlanarConfig& >(result))), SWIGTYPE_p_OpenBabel__OBSquarePlanarConfig, SWIG_POINTER_OWN |  0 );
38846   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSquarePlanarStereo_GetConfig__SWIG_2(SEXP self,SEXP start,SEXP shape,SEXP s_swig_copy)38847 SWIGEXPORT SEXP R_swig_OBSquarePlanarStereo_GetConfig__SWIG_2 ( SEXP self, SEXP start, SEXP shape, SEXP s_swig_copy) {
38848   OpenBabel::OBSquarePlanarConfig result; OpenBabel::OBSquarePlanarStereo *arg1 = (OpenBabel::OBSquarePlanarStereo *) 0 ;
38849   unsigned long arg2 ; OpenBabel::OBStereo::Shape arg3 ; void *argp1 = 0 ; int res1 = 0 ; long val2 ; int ecode2 = 0 ;
38850   int val3 ; int ecode3 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38851   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSquarePlanarStereo, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38852     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSquarePlanarStereo_GetConfig" "', argument " "1"" of type '" "OpenBabel::OBSquarePlanarStereo *""'");  }
38853    arg1 = reinterpret_cast< OpenBabel::OBSquarePlanarStereo * >(argp1); ecode2 = SWIG_AsVal_long(start, &val2);
38854   if (!SWIG_IsOK(ecode2)) {
38855     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBSquarePlanarStereo_GetConfig" "', argument " "2"" of type '" "unsigned long""'"); }
38856     arg2 = static_cast< unsigned long >(val2); ecode3 = SWIG_AsVal_int(shape, &val3); if (!SWIG_IsOK(ecode3)) {
38857     SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "OBSquarePlanarStereo_GetConfig" "', argument " "3"" of type '" "OpenBabel::OBStereo::Shape""'"); }
38858     arg3 = static_cast< OpenBabel::OBStereo::Shape >(val3);
38859   result = OpenBabel_OBSquarePlanarStereo_GetConfig__SWIG_2(arg1,arg2,arg3);
38860   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBSquarePlanarConfig(static_cast< const OpenBabel::OBSquarePlanarConfig& >(result))), SWIGTYPE_p_OpenBabel__OBSquarePlanarConfig, SWIG_POINTER_OWN |  0 );
38861   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSquarePlanarStereo_GetConfig__SWIG_3(SEXP self,SEXP start,SEXP s_swig_copy)38862 SWIGEXPORT SEXP R_swig_OBSquarePlanarStereo_GetConfig__SWIG_3 ( SEXP self, SEXP start, SEXP s_swig_copy) {
38863   OpenBabel::OBSquarePlanarConfig result; OpenBabel::OBSquarePlanarStereo *arg1 = (OpenBabel::OBSquarePlanarStereo *) 0 ;
38864   unsigned long arg2 ; void *argp1 = 0 ; int res1 = 0 ; long val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0;
38865   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38866   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSquarePlanarStereo, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38867     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSquarePlanarStereo_GetConfig" "', argument " "1"" of type '" "OpenBabel::OBSquarePlanarStereo *""'");  }
38868    arg1 = reinterpret_cast< OpenBabel::OBSquarePlanarStereo * >(argp1); ecode2 = SWIG_AsVal_long(start, &val2);
38869   if (!SWIG_IsOK(ecode2)) {
38870     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBSquarePlanarStereo_GetConfig" "', argument " "2"" of type '" "unsigned long""'"); }
38871     arg2 = static_cast< unsigned long >(val2); result = OpenBabel_OBSquarePlanarStereo_GetConfig__SWIG_2(arg1,arg2);
38872   r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBSquarePlanarConfig(static_cast< const OpenBabel::OBSquarePlanarConfig& >(result))), SWIGTYPE_p_OpenBabel__OBSquarePlanarConfig, SWIG_POINTER_OWN |  0 );
38873   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBTetrahedralConfig_center_set(SEXP self,SEXP s_center)38874 SWIGEXPORT SEXP R_swig_OBTetrahedralConfig_center_set ( SEXP self, SEXP s_center) {
38875   OpenBabel::OBTetrahedralConfig *arg1 = (OpenBabel::OBTetrahedralConfig *) 0 ; unsigned long arg2 ; void *argp1 = 0 ;
38876   int res1 = 0 ; long val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
38877   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTetrahedralConfig, 0 |  0 );
38878   if (!SWIG_IsOK(res1)) {
38879     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTetrahedralConfig_center_set" "', argument " "1"" of type '" "OpenBabel::OBTetrahedralConfig *""'");  }
38880    arg1 = reinterpret_cast< OpenBabel::OBTetrahedralConfig * >(argp1); ecode2 = SWIG_AsVal_long(s_center, &val2);
38881   if (!SWIG_IsOK(ecode2)) {
38882     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBTetrahedralConfig_center_set" "', argument " "2"" of type '" "unsigned long""'"); }
38883     arg2 = static_cast< unsigned long >(val2); if (arg1) (arg1)->center = arg2; r_ans = R_NilValue; vmaxset(r_vmax);
38884   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBTetrahedralConfig_center_get(SEXP self,SEXP s_swig_copy)38885 SWIGEXPORT SEXP R_swig_OBTetrahedralConfig_center_get ( SEXP self, SEXP s_swig_copy) { unsigned long result;
38886   OpenBabel::OBTetrahedralConfig *arg1 = (OpenBabel::OBTetrahedralConfig *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
38887   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38888   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTetrahedralConfig, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38889     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTetrahedralConfig_center_get" "', argument " "1"" of type '" "OpenBabel::OBTetrahedralConfig *""'");  }
38890    arg1 = reinterpret_cast< OpenBabel::OBTetrahedralConfig * >(argp1); result = (unsigned long) ((arg1)->center);
38891   r_ans = SWIG_From_long(static_cast< long >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBTetrahedralConfig_from_or_towards_set(SEXP self,SEXP s_from_or_towards)38892 SWIGEXPORT SEXP R_swig_OBTetrahedralConfig_from_or_towards_set ( SEXP self, SEXP s_from_or_towards) {
38893   OpenBabel::OBTetrahedralConfig *arg1 = (OpenBabel::OBTetrahedralConfig *) 0 ; unsigned long arg2 ; void *argp1 = 0 ;
38894   int res1 = 0 ; long val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
38895   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTetrahedralConfig, 0 |  0 );
38896   if (!SWIG_IsOK(res1)) {
38897     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTetrahedralConfig_from_or_towards_set" "', argument " "1"" of type '" "OpenBabel::OBTetrahedralConfig *""'");  }
38898    arg1 = reinterpret_cast< OpenBabel::OBTetrahedralConfig * >(argp1); ecode2 = SWIG_AsVal_long(s_from_or_towards, &val2);
38899   if (!SWIG_IsOK(ecode2)) {
38900     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBTetrahedralConfig_from_or_towards_set" "', argument " "2"" of type '" "unsigned long""'"); }
38901     arg2 = static_cast< unsigned long >(val2); if (arg1) (arg1)->from_or_towards = arg2; r_ans = R_NilValue; vmaxset(r_vmax);
38902   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBTetrahedralConfig_from_or_towards_get(SEXP self,SEXP s_swig_copy)38903 SWIGEXPORT SEXP R_swig_OBTetrahedralConfig_from_or_towards_get ( SEXP self, SEXP s_swig_copy) { unsigned long result;
38904   OpenBabel::OBTetrahedralConfig *arg1 = (OpenBabel::OBTetrahedralConfig *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
38905   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38906   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTetrahedralConfig, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38907     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTetrahedralConfig_from_or_towards_get" "', argument " "1"" of type '" "OpenBabel::OBTetrahedralConfig *""'");  }
38908    arg1 = reinterpret_cast< OpenBabel::OBTetrahedralConfig * >(argp1); result = (unsigned long) ((arg1)->from_or_towards);
38909   r_ans = SWIG_From_long(static_cast< long >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBTetrahedralConfig_refs_set(SEXP self,SEXP s_refs)38910 SWIGEXPORT SEXP R_swig_OBTetrahedralConfig_refs_set ( SEXP self, SEXP s_refs) {
38911   OpenBabel::OBTetrahedralConfig *arg1 = (OpenBabel::OBTetrahedralConfig *) 0 ; OpenBabel::OBStereo::Refs *arg2 = 0 ;
38912   void *argp1 = 0 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
38913   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTetrahedralConfig, 0 |  0 );
38914   if (!SWIG_IsOK(res1)) {
38915     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTetrahedralConfig_refs_set" "', argument " "1"" of type '" "OpenBabel::OBTetrahedralConfig *""'");  }
38916    arg1 = reinterpret_cast< OpenBabel::OBTetrahedralConfig * >(argp1);
38917   res2 = SWIG_R_ConvertPtr(s_refs, &argp2, SWIGTYPE_p_std__vectorT_unsigned_long_std__allocatorT_unsigned_long_t_t,  0 );
38918   if (!SWIG_IsOK(res2)) {
38919     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBTetrahedralConfig_refs_set" "', argument " "2"" of type '" "OpenBabel::OBStereo::Refs const &""'");  }
38920    if (!argp2) {
38921     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBTetrahedralConfig_refs_set" "', argument " "2"" of type '" "OpenBabel::OBStereo::Refs const &""'"); }
38922    arg2 = reinterpret_cast< OpenBabel::OBStereo::Refs * >(argp2); if (arg1) (arg1)->refs = *arg2; r_ans = R_NilValue;
38923   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBTetrahedralConfig_refs_get(SEXP self,SEXP s_swig_copy)38924 SWIGEXPORT SEXP R_swig_OBTetrahedralConfig_refs_get ( SEXP self, SEXP s_swig_copy) { OpenBabel::OBStereo::Refs *result = 0 ;
38925   OpenBabel::OBTetrahedralConfig *arg1 = (OpenBabel::OBTetrahedralConfig *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
38926   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38927   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTetrahedralConfig, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38928     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTetrahedralConfig_refs_get" "', argument " "1"" of type '" "OpenBabel::OBTetrahedralConfig *""'");  }
38929    arg1 = reinterpret_cast< OpenBabel::OBTetrahedralConfig * >(argp1); result = (OpenBabel::OBStereo::Refs *) & ((arg1)->refs);
38930   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_unsigned_long_std__allocatorT_unsigned_long_t_t, R_SWIG_EXTERNAL |  0 );
38931   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBTetrahedralConfig_winding_set(SEXP self,SEXP s_winding)38932 SWIGEXPORT SEXP R_swig_OBTetrahedralConfig_winding_set ( SEXP self, SEXP s_winding) {
38933   OpenBabel::OBTetrahedralConfig *arg1 = (OpenBabel::OBTetrahedralConfig *) 0 ; OpenBabel::OBStereo::Winding arg2 ;
38934   void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
38935   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTetrahedralConfig, 0 |  0 );
38936   if (!SWIG_IsOK(res1)) {
38937     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTetrahedralConfig_winding_set" "', argument " "1"" of type '" "OpenBabel::OBTetrahedralConfig *""'");  }
38938    arg1 = reinterpret_cast< OpenBabel::OBTetrahedralConfig * >(argp1); ecode2 = SWIG_AsVal_int(s_winding, &val2);
38939   if (!SWIG_IsOK(ecode2)) {
38940     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBTetrahedralConfig_winding_set" "', argument " "2"" of type '" "OpenBabel::OBStereo::Winding""'"); }
38941     arg2 = static_cast< OpenBabel::OBStereo::Winding >(val2); if (arg1) (arg1)->winding = arg2; r_ans = R_NilValue;
38942   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBTetrahedralConfig_winding_get(SEXP self,SEXP s_swig_copy)38943 SWIGEXPORT SEXP R_swig_OBTetrahedralConfig_winding_get ( SEXP self, SEXP s_swig_copy) { OpenBabel::OBStereo::Winding result;
38944   OpenBabel::OBTetrahedralConfig *arg1 = (OpenBabel::OBTetrahedralConfig *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
38945   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38946   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTetrahedralConfig, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38947     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTetrahedralConfig_winding_get" "', argument " "1"" of type '" "OpenBabel::OBTetrahedralConfig *""'");  }
38948    arg1 = reinterpret_cast< OpenBabel::OBTetrahedralConfig * >(argp1);
38949   result = (OpenBabel::OBStereo::Winding) ((arg1)->winding); r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax);
38950   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBTetrahedralConfig_view_set(SEXP self,SEXP s_view)38951 SWIGEXPORT SEXP R_swig_OBTetrahedralConfig_view_set ( SEXP self, SEXP s_view) {
38952   OpenBabel::OBTetrahedralConfig *arg1 = (OpenBabel::OBTetrahedralConfig *) 0 ; OpenBabel::OBStereo::View arg2 ;
38953   void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
38954   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTetrahedralConfig, 0 |  0 );
38955   if (!SWIG_IsOK(res1)) {
38956     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTetrahedralConfig_view_set" "', argument " "1"" of type '" "OpenBabel::OBTetrahedralConfig *""'");  }
38957    arg1 = reinterpret_cast< OpenBabel::OBTetrahedralConfig * >(argp1); ecode2 = SWIG_AsVal_int(s_view, &val2);
38958   if (!SWIG_IsOK(ecode2)) {
38959     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBTetrahedralConfig_view_set" "', argument " "2"" of type '" "OpenBabel::OBStereo::View""'"); }
38960     arg2 = static_cast< OpenBabel::OBStereo::View >(val2); if (arg1) (arg1)->view = arg2; r_ans = R_NilValue; vmaxset(r_vmax);
38961   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBTetrahedralConfig_view_get(SEXP self,SEXP s_swig_copy)38962 SWIGEXPORT SEXP R_swig_OBTetrahedralConfig_view_get ( SEXP self, SEXP s_swig_copy) { OpenBabel::OBStereo::View result;
38963   OpenBabel::OBTetrahedralConfig *arg1 = (OpenBabel::OBTetrahedralConfig *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
38964   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38965   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTetrahedralConfig, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38966     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTetrahedralConfig_view_get" "', argument " "1"" of type '" "OpenBabel::OBTetrahedralConfig *""'");  }
38967    arg1 = reinterpret_cast< OpenBabel::OBTetrahedralConfig * >(argp1); result = (OpenBabel::OBStereo::View) ((arg1)->view);
38968   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBTetrahedralConfig_specified_set(SEXP self,SEXP s_specified)38969 SWIGEXPORT SEXP R_swig_OBTetrahedralConfig_specified_set ( SEXP self, SEXP s_specified) {
38970   OpenBabel::OBTetrahedralConfig *arg1 = (OpenBabel::OBTetrahedralConfig *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
38971   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38972   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTetrahedralConfig, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38973     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTetrahedralConfig_specified_set" "', argument " "1"" of type '" "OpenBabel::OBTetrahedralConfig *""'");  }
38974    arg1 = reinterpret_cast< OpenBabel::OBTetrahedralConfig * >(argp1); arg2 = LOGICAL(s_specified)[0] ? true : false;
38975   if (arg1) (arg1)->specified = arg2; r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
38976   return r_ans; }
R_swig_OBTetrahedralConfig_specified_get(SEXP self,SEXP s_swig_copy)38977 SWIGEXPORT SEXP R_swig_OBTetrahedralConfig_specified_get ( SEXP self, SEXP s_swig_copy) { bool result;
38978   OpenBabel::OBTetrahedralConfig *arg1 = (OpenBabel::OBTetrahedralConfig *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
38979   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38980   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTetrahedralConfig, 0 |  0 ); if (!SWIG_IsOK(res1)) {
38981     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBTetrahedralConfig_specified_get" "', argument " "1"" of type '" "OpenBabel::OBTetrahedralConfig *""'");  }
38982    arg1 = reinterpret_cast< OpenBabel::OBTetrahedralConfig * >(argp1); result = (bool) ((arg1)->specified);
38983   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBTetrahedralConfig()38984 SWIGEXPORT SEXP R_swig_new_OBTetrahedralConfig ( ) { OpenBabel::OBTetrahedralConfig *result = 0 ; unsigned int r_nprotect = 0;
38985   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38986   result = (OpenBabel::OBTetrahedralConfig *)new OpenBabel::OBTetrahedralConfig();
38987   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBTetrahedralConfig, R_SWIG_OWNER |  0 );
38988   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBTetrahedralConfig(SEXP self)38989 SWIGEXPORT SEXP R_swig_delete_OBTetrahedralConfig ( SEXP self) {
38990   OpenBabel::OBTetrahedralConfig *arg1 = (OpenBabel::OBTetrahedralConfig *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
38991   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
38992   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBTetrahedralConfig, SWIG_POINTER_DISOWN |  0 );
38993   if (!SWIG_IsOK(res1)) {
38994     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBTetrahedralConfig" "', argument " "1"" of type '" "OpenBabel::OBTetrahedralConfig *""'");  }
38995    arg1 = reinterpret_cast< OpenBabel::OBTetrahedralConfig * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
38996   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBCisTransConfig_begin_set(SEXP self,SEXP s_begin)38997 SWIGEXPORT SEXP R_swig_OBCisTransConfig_begin_set ( SEXP self, SEXP s_begin) {
38998   OpenBabel::OBCisTransConfig *arg1 = (OpenBabel::OBCisTransConfig *) 0 ; unsigned long arg2 ; void *argp1 = 0 ; int res1 = 0 ;
38999   long val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
39000   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBCisTransConfig, 0 |  0 ); if (!SWIG_IsOK(res1)) {
39001     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBCisTransConfig_begin_set" "', argument " "1"" of type '" "OpenBabel::OBCisTransConfig *""'");  }
39002    arg1 = reinterpret_cast< OpenBabel::OBCisTransConfig * >(argp1); ecode2 = SWIG_AsVal_long(s_begin, &val2);
39003   if (!SWIG_IsOK(ecode2)) {
39004     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBCisTransConfig_begin_set" "', argument " "2"" of type '" "unsigned long""'"); }
39005     arg2 = static_cast< unsigned long >(val2); if (arg1) (arg1)->begin = arg2; r_ans = R_NilValue; vmaxset(r_vmax);
39006   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBCisTransConfig_begin_get(SEXP self,SEXP s_swig_copy)39007 SWIGEXPORT SEXP R_swig_OBCisTransConfig_begin_get ( SEXP self, SEXP s_swig_copy) { unsigned long result;
39008   OpenBabel::OBCisTransConfig *arg1 = (OpenBabel::OBCisTransConfig *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
39009   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
39010   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBCisTransConfig, 0 |  0 ); if (!SWIG_IsOK(res1)) {
39011     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBCisTransConfig_begin_get" "', argument " "1"" of type '" "OpenBabel::OBCisTransConfig *""'");  }
39012    arg1 = reinterpret_cast< OpenBabel::OBCisTransConfig * >(argp1); result = (unsigned long) ((arg1)->begin);
39013   r_ans = SWIG_From_long(static_cast< long >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBCisTransConfig_end_set(SEXP self,SEXP s_end)39014 SWIGEXPORT SEXP R_swig_OBCisTransConfig_end_set ( SEXP self, SEXP s_end) {
39015   OpenBabel::OBCisTransConfig *arg1 = (OpenBabel::OBCisTransConfig *) 0 ; unsigned long arg2 ; void *argp1 = 0 ; int res1 = 0 ;
39016   long val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
39017   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBCisTransConfig, 0 |  0 ); if (!SWIG_IsOK(res1)) {
39018     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBCisTransConfig_end_set" "', argument " "1"" of type '" "OpenBabel::OBCisTransConfig *""'");  }
39019    arg1 = reinterpret_cast< OpenBabel::OBCisTransConfig * >(argp1); ecode2 = SWIG_AsVal_long(s_end, &val2);
39020   if (!SWIG_IsOK(ecode2)) {
39021     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBCisTransConfig_end_set" "', argument " "2"" of type '" "unsigned long""'"); }
39022     arg2 = static_cast< unsigned long >(val2); if (arg1) (arg1)->end = arg2; r_ans = R_NilValue; vmaxset(r_vmax);
39023   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBCisTransConfig_end_get(SEXP self,SEXP s_swig_copy)39024 SWIGEXPORT SEXP R_swig_OBCisTransConfig_end_get ( SEXP self, SEXP s_swig_copy) { unsigned long result;
39025   OpenBabel::OBCisTransConfig *arg1 = (OpenBabel::OBCisTransConfig *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
39026   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
39027   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBCisTransConfig, 0 |  0 ); if (!SWIG_IsOK(res1)) {
39028     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBCisTransConfig_end_get" "', argument " "1"" of type '" "OpenBabel::OBCisTransConfig *""'");  }
39029    arg1 = reinterpret_cast< OpenBabel::OBCisTransConfig * >(argp1); result = (unsigned long) ((arg1)->end);
39030   r_ans = SWIG_From_long(static_cast< long >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBCisTransConfig_refs_set(SEXP self,SEXP s_refs)39031 SWIGEXPORT SEXP R_swig_OBCisTransConfig_refs_set ( SEXP self, SEXP s_refs) {
39032   OpenBabel::OBCisTransConfig *arg1 = (OpenBabel::OBCisTransConfig *) 0 ; OpenBabel::OBStereo::Refs *arg2 = 0 ;
39033   void *argp1 = 0 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
39034   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBCisTransConfig, 0 |  0 );
39035   if (!SWIG_IsOK(res1)) {
39036     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBCisTransConfig_refs_set" "', argument " "1"" of type '" "OpenBabel::OBCisTransConfig *""'");  }
39037    arg1 = reinterpret_cast< OpenBabel::OBCisTransConfig * >(argp1);
39038   res2 = SWIG_R_ConvertPtr(s_refs, &argp2, SWIGTYPE_p_std__vectorT_unsigned_long_std__allocatorT_unsigned_long_t_t,  0 );
39039   if (!SWIG_IsOK(res2)) {
39040     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBCisTransConfig_refs_set" "', argument " "2"" of type '" "OpenBabel::OBStereo::Refs const &""'");  }
39041    if (!argp2) {
39042     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBCisTransConfig_refs_set" "', argument " "2"" of type '" "OpenBabel::OBStereo::Refs const &""'"); }
39043    arg2 = reinterpret_cast< OpenBabel::OBStereo::Refs * >(argp2); if (arg1) (arg1)->refs = *arg2; r_ans = R_NilValue;
39044   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBCisTransConfig_refs_get(SEXP self,SEXP s_swig_copy)39045 SWIGEXPORT SEXP R_swig_OBCisTransConfig_refs_get ( SEXP self, SEXP s_swig_copy) { OpenBabel::OBStereo::Refs *result = 0 ;
39046   OpenBabel::OBCisTransConfig *arg1 = (OpenBabel::OBCisTransConfig *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
39047   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
39048   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBCisTransConfig, 0 |  0 ); if (!SWIG_IsOK(res1)) {
39049     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBCisTransConfig_refs_get" "', argument " "1"" of type '" "OpenBabel::OBCisTransConfig *""'");  }
39050    arg1 = reinterpret_cast< OpenBabel::OBCisTransConfig * >(argp1); result = (OpenBabel::OBStereo::Refs *) & ((arg1)->refs);
39051   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_unsigned_long_std__allocatorT_unsigned_long_t_t, R_SWIG_EXTERNAL |  0 );
39052   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBCisTransConfig_shape_set(SEXP self,SEXP s_shape)39053 SWIGEXPORT SEXP R_swig_OBCisTransConfig_shape_set ( SEXP self, SEXP s_shape) {
39054   OpenBabel::OBCisTransConfig *arg1 = (OpenBabel::OBCisTransConfig *) 0 ; OpenBabel::OBStereo::Shape arg2 ; void *argp1 = 0 ;
39055   int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
39056   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBCisTransConfig, 0 |  0 );
39057   if (!SWIG_IsOK(res1)) {
39058     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBCisTransConfig_shape_set" "', argument " "1"" of type '" "OpenBabel::OBCisTransConfig *""'");  }
39059    arg1 = reinterpret_cast< OpenBabel::OBCisTransConfig * >(argp1); ecode2 = SWIG_AsVal_int(s_shape, &val2);
39060   if (!SWIG_IsOK(ecode2)) {
39061     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBCisTransConfig_shape_set" "', argument " "2"" of type '" "OpenBabel::OBStereo::Shape""'"); }
39062     arg2 = static_cast< OpenBabel::OBStereo::Shape >(val2); if (arg1) (arg1)->shape = arg2; r_ans = R_NilValue; vmaxset(r_vmax);
39063   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBCisTransConfig_shape_get(SEXP self,SEXP s_swig_copy)39064 SWIGEXPORT SEXP R_swig_OBCisTransConfig_shape_get ( SEXP self, SEXP s_swig_copy) { OpenBabel::OBStereo::Shape result;
39065   OpenBabel::OBCisTransConfig *arg1 = (OpenBabel::OBCisTransConfig *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
39066   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
39067   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBCisTransConfig, 0 |  0 ); if (!SWIG_IsOK(res1)) {
39068     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBCisTransConfig_shape_get" "', argument " "1"" of type '" "OpenBabel::OBCisTransConfig *""'");  }
39069    arg1 = reinterpret_cast< OpenBabel::OBCisTransConfig * >(argp1); result = (OpenBabel::OBStereo::Shape) ((arg1)->shape);
39070   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBCisTransConfig_specified_set(SEXP self,SEXP s_specified)39071 SWIGEXPORT SEXP R_swig_OBCisTransConfig_specified_set ( SEXP self, SEXP s_specified) {
39072   OpenBabel::OBCisTransConfig *arg1 = (OpenBabel::OBCisTransConfig *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
39073   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
39074   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBCisTransConfig, 0 |  0 ); if (!SWIG_IsOK(res1)) {
39075     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBCisTransConfig_specified_set" "', argument " "1"" of type '" "OpenBabel::OBCisTransConfig *""'");  }
39076    arg1 = reinterpret_cast< OpenBabel::OBCisTransConfig * >(argp1); arg2 = LOGICAL(s_specified)[0] ? true : false;
39077   if (arg1) (arg1)->specified = arg2; r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
39078   return r_ans; }
R_swig_OBCisTransConfig_specified_get(SEXP self,SEXP s_swig_copy)39079 SWIGEXPORT SEXP R_swig_OBCisTransConfig_specified_get ( SEXP self, SEXP s_swig_copy) { bool result;
39080   OpenBabel::OBCisTransConfig *arg1 = (OpenBabel::OBCisTransConfig *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
39081   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
39082   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBCisTransConfig, 0 |  0 ); if (!SWIG_IsOK(res1)) {
39083     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBCisTransConfig_specified_get" "', argument " "1"" of type '" "OpenBabel::OBCisTransConfig *""'");  }
39084    arg1 = reinterpret_cast< OpenBabel::OBCisTransConfig * >(argp1); result = (bool) ((arg1)->specified);
39085   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBCisTransConfig()39086 SWIGEXPORT SEXP R_swig_new_OBCisTransConfig ( ) { OpenBabel::OBCisTransConfig *result = 0 ; unsigned int r_nprotect = 0;
39087   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
39088   result = (OpenBabel::OBCisTransConfig *)new OpenBabel::OBCisTransConfig();
39089   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBCisTransConfig, R_SWIG_OWNER |  0 );
39090   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBCisTransConfig(SEXP self)39091 SWIGEXPORT SEXP R_swig_delete_OBCisTransConfig ( SEXP self) {
39092   OpenBabel::OBCisTransConfig *arg1 = (OpenBabel::OBCisTransConfig *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
39093   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
39094   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBCisTransConfig, SWIG_POINTER_DISOWN |  0 );
39095   if (!SWIG_IsOK(res1)) {
39096     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBCisTransConfig" "', argument " "1"" of type '" "OpenBabel::OBCisTransConfig *""'");  }
39097    arg1 = reinterpret_cast< OpenBabel::OBCisTransConfig * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
39098   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
R_swig_OBSquarePlanarConfig_center_set(SEXP self,SEXP s_center)39099 SWIGEXPORT SEXP R_swig_OBSquarePlanarConfig_center_set ( SEXP self, SEXP s_center) {
39100   OpenBabel::OBSquarePlanarConfig *arg1 = (OpenBabel::OBSquarePlanarConfig *) 0 ; unsigned long arg2 ; void *argp1 = 0 ;
39101   int res1 = 0 ; long val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
39102   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSquarePlanarConfig, 0 |  0 );
39103   if (!SWIG_IsOK(res1)) {
39104     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSquarePlanarConfig_center_set" "', argument " "1"" of type '" "OpenBabel::OBSquarePlanarConfig *""'");  }
39105    arg1 = reinterpret_cast< OpenBabel::OBSquarePlanarConfig * >(argp1); ecode2 = SWIG_AsVal_long(s_center, &val2);
39106   if (!SWIG_IsOK(ecode2)) {
39107     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBSquarePlanarConfig_center_set" "', argument " "2"" of type '" "unsigned long""'"); }
39108     arg2 = static_cast< unsigned long >(val2); if (arg1) (arg1)->center = arg2; r_ans = R_NilValue; vmaxset(r_vmax);
39109   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSquarePlanarConfig_center_get(SEXP self,SEXP s_swig_copy)39110 SWIGEXPORT SEXP R_swig_OBSquarePlanarConfig_center_get ( SEXP self, SEXP s_swig_copy) { unsigned long result;
39111   OpenBabel::OBSquarePlanarConfig *arg1 = (OpenBabel::OBSquarePlanarConfig *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
39112   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
39113   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSquarePlanarConfig, 0 |  0 ); if (!SWIG_IsOK(res1)) {
39114     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSquarePlanarConfig_center_get" "', argument " "1"" of type '" "OpenBabel::OBSquarePlanarConfig *""'");  }
39115    arg1 = reinterpret_cast< OpenBabel::OBSquarePlanarConfig * >(argp1); result = (unsigned long) ((arg1)->center);
39116   r_ans = SWIG_From_long(static_cast< long >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSquarePlanarConfig_refs_set(SEXP self,SEXP s_refs)39117 SWIGEXPORT SEXP R_swig_OBSquarePlanarConfig_refs_set ( SEXP self, SEXP s_refs) {
39118   OpenBabel::OBSquarePlanarConfig *arg1 = (OpenBabel::OBSquarePlanarConfig *) 0 ; OpenBabel::OBStereo::Refs *arg2 = 0 ;
39119   void *argp1 = 0 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
39120   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSquarePlanarConfig, 0 |  0 );
39121   if (!SWIG_IsOK(res1)) {
39122     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSquarePlanarConfig_refs_set" "', argument " "1"" of type '" "OpenBabel::OBSquarePlanarConfig *""'");  }
39123    arg1 = reinterpret_cast< OpenBabel::OBSquarePlanarConfig * >(argp1);
39124   res2 = SWIG_R_ConvertPtr(s_refs, &argp2, SWIGTYPE_p_std__vectorT_unsigned_long_std__allocatorT_unsigned_long_t_t,  0 );
39125   if (!SWIG_IsOK(res2)) {
39126     SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBSquarePlanarConfig_refs_set" "', argument " "2"" of type '" "OpenBabel::OBStereo::Refs const &""'");  }
39127    if (!argp2) {
39128     SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBSquarePlanarConfig_refs_set" "', argument " "2"" of type '" "OpenBabel::OBStereo::Refs const &""'"); }
39129    arg2 = reinterpret_cast< OpenBabel::OBStereo::Refs * >(argp2); if (arg1) (arg1)->refs = *arg2; r_ans = R_NilValue;
39130   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSquarePlanarConfig_refs_get(SEXP self,SEXP s_swig_copy)39131 SWIGEXPORT SEXP R_swig_OBSquarePlanarConfig_refs_get ( SEXP self, SEXP s_swig_copy) { OpenBabel::OBStereo::Refs *result = 0 ;
39132   OpenBabel::OBSquarePlanarConfig *arg1 = (OpenBabel::OBSquarePlanarConfig *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
39133   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
39134   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSquarePlanarConfig, 0 |  0 ); if (!SWIG_IsOK(res1)) {
39135     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSquarePlanarConfig_refs_get" "', argument " "1"" of type '" "OpenBabel::OBSquarePlanarConfig *""'");  }
39136    arg1 = reinterpret_cast< OpenBabel::OBSquarePlanarConfig * >(argp1); result = (OpenBabel::OBStereo::Refs *) & ((arg1)->refs);
39137   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_std__vectorT_unsigned_long_std__allocatorT_unsigned_long_t_t, R_SWIG_EXTERNAL |  0 );
39138   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSquarePlanarConfig_shape_set(SEXP self,SEXP s_shape)39139 SWIGEXPORT SEXP R_swig_OBSquarePlanarConfig_shape_set ( SEXP self, SEXP s_shape) {
39140   OpenBabel::OBSquarePlanarConfig *arg1 = (OpenBabel::OBSquarePlanarConfig *) 0 ; OpenBabel::OBStereo::Shape arg2 ;
39141   void *argp1 = 0 ; int res1 = 0 ; int val2 ; int ecode2 = 0 ; unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ;
39142   VMAXTYPE r_vmax = vmaxget() ; res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSquarePlanarConfig, 0 |  0 );
39143   if (!SWIG_IsOK(res1)) {
39144     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSquarePlanarConfig_shape_set" "', argument " "1"" of type '" "OpenBabel::OBSquarePlanarConfig *""'");  }
39145    arg1 = reinterpret_cast< OpenBabel::OBSquarePlanarConfig * >(argp1); ecode2 = SWIG_AsVal_int(s_shape, &val2);
39146   if (!SWIG_IsOK(ecode2)) {
39147     SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBSquarePlanarConfig_shape_set" "', argument " "2"" of type '" "OpenBabel::OBStereo::Shape""'"); }
39148     arg2 = static_cast< OpenBabel::OBStereo::Shape >(val2); if (arg1) (arg1)->shape = arg2; r_ans = R_NilValue; vmaxset(r_vmax);
39149   if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSquarePlanarConfig_shape_get(SEXP self,SEXP s_swig_copy)39150 SWIGEXPORT SEXP R_swig_OBSquarePlanarConfig_shape_get ( SEXP self, SEXP s_swig_copy) { OpenBabel::OBStereo::Shape result;
39151   OpenBabel::OBSquarePlanarConfig *arg1 = (OpenBabel::OBSquarePlanarConfig *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
39152   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
39153   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSquarePlanarConfig, 0 |  0 ); if (!SWIG_IsOK(res1)) {
39154     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSquarePlanarConfig_shape_get" "', argument " "1"" of type '" "OpenBabel::OBSquarePlanarConfig *""'");  }
39155    arg1 = reinterpret_cast< OpenBabel::OBSquarePlanarConfig * >(argp1); result = (OpenBabel::OBStereo::Shape) ((arg1)->shape);
39156   r_ans = SWIG_From_int(static_cast< int >(result)); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_OBSquarePlanarConfig_specified_set(SEXP self,SEXP s_specified)39157 SWIGEXPORT SEXP R_swig_OBSquarePlanarConfig_specified_set ( SEXP self, SEXP s_specified) {
39158   OpenBabel::OBSquarePlanarConfig *arg1 = (OpenBabel::OBSquarePlanarConfig *) 0 ; bool arg2 ; void *argp1 = 0 ; int res1 = 0 ;
39159   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
39160   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSquarePlanarConfig, 0 |  0 ); if (!SWIG_IsOK(res1)) {
39161     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSquarePlanarConfig_specified_set" "', argument " "1"" of type '" "OpenBabel::OBSquarePlanarConfig *""'");  }
39162    arg1 = reinterpret_cast< OpenBabel::OBSquarePlanarConfig * >(argp1); arg2 = LOGICAL(s_specified)[0] ? true : false;
39163   if (arg1) (arg1)->specified = arg2; r_ans = R_NilValue; vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect);
39164   return r_ans; }
R_swig_OBSquarePlanarConfig_specified_get(SEXP self,SEXP s_swig_copy)39165 SWIGEXPORT SEXP R_swig_OBSquarePlanarConfig_specified_get ( SEXP self, SEXP s_swig_copy) { bool result;
39166   OpenBabel::OBSquarePlanarConfig *arg1 = (OpenBabel::OBSquarePlanarConfig *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
39167   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
39168   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSquarePlanarConfig, 0 |  0 ); if (!SWIG_IsOK(res1)) {
39169     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBSquarePlanarConfig_specified_get" "', argument " "1"" of type '" "OpenBabel::OBSquarePlanarConfig *""'");  }
39170    arg1 = reinterpret_cast< OpenBabel::OBSquarePlanarConfig * >(argp1); result = (bool) ((arg1)->specified);
39171   r_ans = Rf_ScalarLogical(result); vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_new_OBSquarePlanarConfig()39172 SWIGEXPORT SEXP R_swig_new_OBSquarePlanarConfig ( ) { OpenBabel::OBSquarePlanarConfig *result = 0 ; unsigned int r_nprotect = 0;
39173   SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
39174   result = (OpenBabel::OBSquarePlanarConfig *)new OpenBabel::OBSquarePlanarConfig();
39175   r_ans = SWIG_R_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_OpenBabel__OBSquarePlanarConfig, R_SWIG_OWNER |  0 );
39176   vmaxset(r_vmax); if(r_nprotect)  Rf_unprotect(r_nprotect); return r_ans; }
R_swig_delete_OBSquarePlanarConfig(SEXP self)39177 SWIGEXPORT SEXP R_swig_delete_OBSquarePlanarConfig ( SEXP self) {
39178   OpenBabel::OBSquarePlanarConfig *arg1 = (OpenBabel::OBSquarePlanarConfig *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
39179   unsigned int r_nprotect = 0; SEXP r_ans = R_NilValue ; VMAXTYPE r_vmax = vmaxget() ;
39180   res1 = SWIG_R_ConvertPtr(self, &argp1, SWIGTYPE_p_OpenBabel__OBSquarePlanarConfig, SWIG_POINTER_DISOWN |  0 );
39181   if (!SWIG_IsOK(res1)) {
39182     SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "delete_OBSquarePlanarConfig" "', argument " "1"" of type '" "OpenBabel::OBSquarePlanarConfig *""'");  }
39183    arg1 = reinterpret_cast< OpenBabel::OBSquarePlanarConfig * >(argp1); delete arg1; r_ans = R_NilValue; vmaxset(r_vmax);
39184   if(r_nprotect)  Rf_unprotect(r_nprotect); R_ClearExternalPtr(self); return r_ans; }
39185 #ifdef __cplusplus
39186 }
39187 #endif
39188 
39189 /* -------- TYPE CONVERSION AND EQUIVALENCE RULES (BEGIN) -------- */
39190 
_p_OpenBabel__obLogBufTo_p_std__stringbuf(void * x,int * SWIGUNUSEDPARM (newmemory))39191 static void *_p_OpenBabel__obLogBufTo_p_std__stringbuf(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39192     return (void *)((std::stringbuf *)  ((OpenBabel::obLogBuf *) x));
39193 }
_p_OpenBabel__OBAtomicHeatOfFormationTableTo_p_OpenBabel__OBGlobalDataBase(void * x,int * SWIGUNUSEDPARM (newmemory))39194 static void *_p_OpenBabel__OBAtomicHeatOfFormationTableTo_p_OpenBabel__OBGlobalDataBase(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39195     return (void *)((OpenBabel::OBGlobalDataBase *)  ((OpenBabel::OBAtomicHeatOfFormationTable *) x));
39196 }
_p_OpenBabel__OBAtomTyperTo_p_OpenBabel__OBGlobalDataBase(void * x,int * SWIGUNUSEDPARM (newmemory))39197 static void *_p_OpenBabel__OBAtomTyperTo_p_OpenBabel__OBGlobalDataBase(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39198     return (void *)((OpenBabel::OBGlobalDataBase *)  ((OpenBabel::OBAtomTyper *) x));
39199 }
_p_OpenBabel__OBAromaticTyperTo_p_OpenBabel__OBGlobalDataBase(void * x,int * SWIGUNUSEDPARM (newmemory))39200 static void *_p_OpenBabel__OBAromaticTyperTo_p_OpenBabel__OBGlobalDataBase(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39201     return (void *)((OpenBabel::OBGlobalDataBase *)  ((OpenBabel::OBAromaticTyper *) x));
39202 }
_p_OpenBabel__OBResidueDataTo_p_OpenBabel__OBGlobalDataBase(void * x,int * SWIGUNUSEDPARM (newmemory))39203 static void *_p_OpenBabel__OBResidueDataTo_p_OpenBabel__OBGlobalDataBase(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39204     return (void *)((OpenBabel::OBGlobalDataBase *)  ((OpenBabel::OBResidueData *) x));
39205 }
_p_OpenBabel__OBRingTyperTo_p_OpenBabel__OBGlobalDataBase(void * x,int * SWIGUNUSEDPARM (newmemory))39206 static void *_p_OpenBabel__OBRingTyperTo_p_OpenBabel__OBGlobalDataBase(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39207     return (void *)((OpenBabel::OBGlobalDataBase *)  ((OpenBabel::OBRingTyper *) x));
39208 }
_p_OpenBabel__OBIsotopeTableTo_p_OpenBabel__OBGlobalDataBase(void * x,int * SWIGUNUSEDPARM (newmemory))39209 static void *_p_OpenBabel__OBIsotopeTableTo_p_OpenBabel__OBGlobalDataBase(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39210     return (void *)((OpenBabel::OBGlobalDataBase *)  ((OpenBabel::OBIsotopeTable *) x));
39211 }
_p_OpenBabel__OBTypeTableTo_p_OpenBabel__OBGlobalDataBase(void * x,int * SWIGUNUSEDPARM (newmemory))39212 static void *_p_OpenBabel__OBTypeTableTo_p_OpenBabel__OBGlobalDataBase(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39213     return (void *)((OpenBabel::OBGlobalDataBase *)  ((OpenBabel::OBTypeTable *) x));
39214 }
_p_OpenBabel__OBRotorRulesTo_p_OpenBabel__OBGlobalDataBase(void * x,int * SWIGUNUSEDPARM (newmemory))39215 static void *_p_OpenBabel__OBRotorRulesTo_p_OpenBabel__OBGlobalDataBase(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39216     return (void *)((OpenBabel::OBGlobalDataBase *)  ((OpenBabel::OBRotorRules *) x));
39217 }
_p_OpenBabel__OBElementTableTo_p_OpenBabel__OBGlobalDataBase(void * x,int * SWIGUNUSEDPARM (newmemory))39218 static void *_p_OpenBabel__OBElementTableTo_p_OpenBabel__OBGlobalDataBase(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39219     return (void *)((OpenBabel::OBGlobalDataBase *)  ((OpenBabel::OBElementTable *) x));
39220 }
_p_OpenBabel__OBTetraNonPlanarStereoTo_p_OpenBabel__OBStereoBase(void * x,int * SWIGUNUSEDPARM (newmemory))39221 static void *_p_OpenBabel__OBTetraNonPlanarStereoTo_p_OpenBabel__OBStereoBase(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39222     return (void *)((OpenBabel::OBStereoBase *)  ((OpenBabel::OBTetraNonPlanarStereo *) x));
39223 }
_p_OpenBabel__OBTetraPlanarStereoTo_p_OpenBabel__OBStereoBase(void * x,int * SWIGUNUSEDPARM (newmemory))39224 static void *_p_OpenBabel__OBTetraPlanarStereoTo_p_OpenBabel__OBStereoBase(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39225     return (void *)((OpenBabel::OBStereoBase *)  ((OpenBabel::OBTetraPlanarStereo *) x));
39226 }
_p_OpenBabel__OBTetrahedralStereoTo_p_OpenBabel__OBStereoBase(void * x,int * SWIGUNUSEDPARM (newmemory))39227 static void *_p_OpenBabel__OBTetrahedralStereoTo_p_OpenBabel__OBStereoBase(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39228     return (void *)((OpenBabel::OBStereoBase *) (OpenBabel::OBTetraNonPlanarStereo *) ((OpenBabel::OBTetrahedralStereo *) x));
39229 }
_p_OpenBabel__OBSquarePlanarStereoTo_p_OpenBabel__OBStereoBase(void * x,int * SWIGUNUSEDPARM (newmemory))39230 static void *_p_OpenBabel__OBSquarePlanarStereoTo_p_OpenBabel__OBStereoBase(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39231     return (void *)((OpenBabel::OBStereoBase *) (OpenBabel::OBTetraPlanarStereo *) ((OpenBabel::OBSquarePlanarStereo *) x));
39232 }
_p_OpenBabel__OBCisTransStereoTo_p_OpenBabel__OBStereoBase(void * x,int * SWIGUNUSEDPARM (newmemory))39233 static void *_p_OpenBabel__OBCisTransStereoTo_p_OpenBabel__OBStereoBase(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39234     return (void *)((OpenBabel::OBStereoBase *) (OpenBabel::OBTetraPlanarStereo *) ((OpenBabel::OBCisTransStereo *) x));
39235 }
_p_OpenBabel__transform3dTo_p_OpenBabel__vector3(void * x,int * SWIGUNUSEDPARM (newmemory))39236 static void *_p_OpenBabel__transform3dTo_p_OpenBabel__vector3(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39237     return (void *)((OpenBabel::vector3 *)  ((OpenBabel::transform3d *) x));
39238 }
_p_OpenBabel__transform3dTo_p_OpenBabel__matrix3x3(void * x,int * SWIGUNUSEDPARM (newmemory))39239 static void *_p_OpenBabel__transform3dTo_p_OpenBabel__matrix3x3(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39240     return (void *)((OpenBabel::matrix3x3 *)  ((OpenBabel::transform3d *) x));
39241 }
_p_stringpTo_p_std__string(void * x,int * SWIGUNUSEDPARM (newmemory))39242 static void *_p_stringpTo_p_std__string(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39243     return (void *)((std::string *)  ((stringp *) x));
39244 }
_p_OpenBabel__OBTetrahedralStereoTo_p_OpenBabel__OBTetraNonPlanarStereo(void * x,int * SWIGUNUSEDPARM (newmemory))39245 static void *_p_OpenBabel__OBTetrahedralStereoTo_p_OpenBabel__OBTetraNonPlanarStereo(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39246     return (void *)((OpenBabel::OBTetraNonPlanarStereo *)  ((OpenBabel::OBTetrahedralStereo *) x));
39247 }
_p_OpenBabel__OBSquarePlanarStereoTo_p_OpenBabel__OBTetraPlanarStereo(void * x,int * SWIGUNUSEDPARM (newmemory))39248 static void *_p_OpenBabel__OBSquarePlanarStereoTo_p_OpenBabel__OBTetraPlanarStereo(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39249     return (void *)((OpenBabel::OBTetraPlanarStereo *)  ((OpenBabel::OBSquarePlanarStereo *) x));
39250 }
_p_OpenBabel__OBCisTransStereoTo_p_OpenBabel__OBTetraPlanarStereo(void * x,int * SWIGUNUSEDPARM (newmemory))39251 static void *_p_OpenBabel__OBCisTransStereoTo_p_OpenBabel__OBTetraPlanarStereo(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39252     return (void *)((OpenBabel::OBTetraPlanarStereo *)  ((OpenBabel::OBCisTransStereo *) x));
39253 }
_p_OpenBabel__OBMolTo_p_OpenBabel__OBBase(void * x,int * SWIGUNUSEDPARM (newmemory))39254 static void *_p_OpenBabel__OBMolTo_p_OpenBabel__OBBase(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39255     return (void *)((OpenBabel::OBBase *)  ((OpenBabel::OBMol *) x));
39256 }
_p_OpenBabel__OBResidueTo_p_OpenBabel__OBBase(void * x,int * SWIGUNUSEDPARM (newmemory))39257 static void *_p_OpenBabel__OBResidueTo_p_OpenBabel__OBBase(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39258     return (void *)((OpenBabel::OBBase *)  ((OpenBabel::OBResidue *) x));
39259 }
_p_OpenBabel__OBBondTo_p_OpenBabel__OBBase(void * x,int * SWIGUNUSEDPARM (newmemory))39260 static void *_p_OpenBabel__OBBondTo_p_OpenBabel__OBBase(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39261     return (void *)((OpenBabel::OBBase *)  ((OpenBabel::OBBond *) x));
39262 }
_p_OpenBabel__OBAtomTo_p_OpenBabel__OBBase(void * x,int * SWIGUNUSEDPARM (newmemory))39263 static void *_p_OpenBabel__OBAtomTo_p_OpenBabel__OBBase(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39264     return (void *)((OpenBabel::OBBase *)  ((OpenBabel::OBAtom *) x));
39265 }
_p_OpenBabel__OBReactionTo_p_OpenBabel__OBBase(void * x,int * SWIGUNUSEDPARM (newmemory))39266 static void *_p_OpenBabel__OBReactionTo_p_OpenBabel__OBBase(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39267     return (void *)((OpenBabel::OBBase *)  ((OpenBabel::OBReaction *) x));
39268 }
_p_OpenBabel__OBFFCalculation3To_p_OpenBabel__OBFFCalculation2(void * x,int * SWIGUNUSEDPARM (newmemory))39269 static void *_p_OpenBabel__OBFFCalculation3To_p_OpenBabel__OBFFCalculation2(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39270     return (void *)((OpenBabel::OBFFCalculation2 *)  ((OpenBabel::OBFFCalculation3 *) x));
39271 }
_p_OpenBabel__OBFFCalculation4To_p_OpenBabel__OBFFCalculation2(void * x,int * SWIGUNUSEDPARM (newmemory))39272 static void *_p_OpenBabel__OBFFCalculation4To_p_OpenBabel__OBFFCalculation2(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39273     return (void *)((OpenBabel::OBFFCalculation2 *) (OpenBabel::OBFFCalculation3 *) ((OpenBabel::OBFFCalculation4 *) x));
39274 }
_p_OpenBabel__OBFFCalculation4To_p_OpenBabel__OBFFCalculation3(void * x,int * SWIGUNUSEDPARM (newmemory))39275 static void *_p_OpenBabel__OBFFCalculation4To_p_OpenBabel__OBFFCalculation3(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39276     return (void *)((OpenBabel::OBFFCalculation3 *)  ((OpenBabel::OBFFCalculation4 *) x));
39277 }
_p_OpenBabel__OBRMSDConformerScoreTo_p_OpenBabel__OBConformerScore(void * x,int * SWIGUNUSEDPARM (newmemory))39278 static void *_p_OpenBabel__OBRMSDConformerScoreTo_p_OpenBabel__OBConformerScore(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39279     return (void *)((OpenBabel::OBConformerScore *)  ((OpenBabel::OBRMSDConformerScore *) x));
39280 }
_p_OpenBabel__OBEnergyConformerScoreTo_p_OpenBabel__OBConformerScore(void * x,int * SWIGUNUSEDPARM (newmemory))39281 static void *_p_OpenBabel__OBEnergyConformerScoreTo_p_OpenBabel__OBConformerScore(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39282     return (void *)((OpenBabel::OBConformerScore *)  ((OpenBabel::OBEnergyConformerScore *) x));
39283 }
_p_OpenBabel__OBMinimizingEnergyConformerScoreTo_p_OpenBabel__OBConformerScore(void * x,int * SWIGUNUSEDPARM (newmemory))39284 static void *_p_OpenBabel__OBMinimizingEnergyConformerScoreTo_p_OpenBabel__OBConformerScore(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39285     return (void *)((OpenBabel::OBConformerScore *)  ((OpenBabel::OBMinimizingEnergyConformerScore *) x));
39286 }
_p_OpenBabel__OBMinimizingRMSDConformerScoreTo_p_OpenBabel__OBConformerScore(void * x,int * SWIGUNUSEDPARM (newmemory))39287 static void *_p_OpenBabel__OBMinimizingRMSDConformerScoreTo_p_OpenBabel__OBConformerScore(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39288     return (void *)((OpenBabel::OBConformerScore *)  ((OpenBabel::OBMinimizingRMSDConformerScore *) x));
39289 }
_p_OpenBabel__CharPtrLessTo_p_std__binary_functionT_char_const_p_char_const_p_bool_t(void * x,int * SWIGUNUSEDPARM (newmemory))39290 static void *_p_OpenBabel__CharPtrLessTo_p_std__binary_functionT_char_const_p_char_const_p_bool_t(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39291     return (void *)((std::binary_function< char const *,char const *,bool > *)  ((OpenBabel::CharPtrLess *) x));
39292 }
_p_OpenBabel__OBDescriptorTo_p_OpenBabel__OBPlugin(void * x,int * SWIGUNUSEDPARM (newmemory))39293 static void *_p_OpenBabel__OBDescriptorTo_p_OpenBabel__OBPlugin(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39294     return (void *)((OpenBabel::OBPlugin *)  ((OpenBabel::OBDescriptor *) x));
39295 }
_p_OpenBabel__OBOpTo_p_OpenBabel__OBPlugin(void * x,int * SWIGUNUSEDPARM (newmemory))39296 static void *_p_OpenBabel__OBOpTo_p_OpenBabel__OBPlugin(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39297     return (void *)((OpenBabel::OBPlugin *)  ((OpenBabel::OBOp *) x));
39298 }
_p_OpenBabel__OBChargeModelTo_p_OpenBabel__OBPlugin(void * x,int * SWIGUNUSEDPARM (newmemory))39299 static void *_p_OpenBabel__OBChargeModelTo_p_OpenBabel__OBPlugin(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39300     return (void *)((OpenBabel::OBPlugin *)  ((OpenBabel::OBChargeModel *) x));
39301 }
_p_OpenBabel__OBForceFieldTo_p_OpenBabel__OBPlugin(void * x,int * SWIGUNUSEDPARM (newmemory))39302 static void *_p_OpenBabel__OBForceFieldTo_p_OpenBabel__OBPlugin(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39303     return (void *)((OpenBabel::OBPlugin *)  ((OpenBabel::OBForceField *) x));
39304 }
_p_OpenBabel__OBFormatTo_p_OpenBabel__OBPlugin(void * x,int * SWIGUNUSEDPARM (newmemory))39305 static void *_p_OpenBabel__OBFormatTo_p_OpenBabel__OBPlugin(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39306     return (void *)((OpenBabel::OBPlugin *)  ((OpenBabel::OBFormat *) x));
39307 }
_p_OpenBabel__OBFingerprintTo_p_OpenBabel__OBPlugin(void * x,int * SWIGUNUSEDPARM (newmemory))39308 static void *_p_OpenBabel__OBFingerprintTo_p_OpenBabel__OBPlugin(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39309     return (void *)((OpenBabel::OBPlugin *)  ((OpenBabel::OBFingerprint *) x));
39310 }
_p_OpenBabel__OBStericConformerFilterTo_p_OpenBabel__OBConformerFilter(void * x,int * SWIGUNUSEDPARM (newmemory))39311 static void *_p_OpenBabel__OBStericConformerFilterTo_p_OpenBabel__OBConformerFilter(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39312     return (void *)((OpenBabel::OBConformerFilter *)  ((OpenBabel::OBStericConformerFilter *) x));
39313 }
_p_OpenBabel__OBConformerFiltersTo_p_OpenBabel__OBConformerFilter(void * x,int * SWIGUNUSEDPARM (newmemory))39314 static void *_p_OpenBabel__OBConformerFiltersTo_p_OpenBabel__OBConformerFilter(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39315     return (void *)((OpenBabel::OBConformerFilter *)  ((OpenBabel::OBConformerFilters *) x));
39316 }
_p_OpenBabel__OBStereoBaseTo_p_OpenBabel__OBGenericData(void * x,int * SWIGUNUSEDPARM (newmemory))39317 static void *_p_OpenBabel__OBStereoBaseTo_p_OpenBabel__OBGenericData(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39318     return (void *)((OpenBabel::OBGenericData *)  ((OpenBabel::OBStereoBase *) x));
39319 }
_p_OpenBabel__OBRotamerListTo_p_OpenBabel__OBGenericData(void * x,int * SWIGUNUSEDPARM (newmemory))39320 static void *_p_OpenBabel__OBRotamerListTo_p_OpenBabel__OBGenericData(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39321     return (void *)((OpenBabel::OBGenericData *)  ((OpenBabel::OBRotamerList *) x));
39322 }
_p_OpenBabel__OBCisTransStereoTo_p_OpenBabel__OBGenericData(void * x,int * SWIGUNUSEDPARM (newmemory))39323 static void *_p_OpenBabel__OBCisTransStereoTo_p_OpenBabel__OBGenericData(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39324     return (void *)((OpenBabel::OBGenericData *) (OpenBabel::OBStereoBase *)(OpenBabel::OBTetraPlanarStereo *) ((OpenBabel::OBCisTransStereo *) x));
39325 }
_p_OpenBabel__OBVibrationDataTo_p_OpenBabel__OBGenericData(void * x,int * SWIGUNUSEDPARM (newmemory))39326 static void *_p_OpenBabel__OBVibrationDataTo_p_OpenBabel__OBGenericData(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39327     return (void *)((OpenBabel::OBGenericData *)  ((OpenBabel::OBVibrationData *) x));
39328 }
_p_OpenBabel__OBTorsionDataTo_p_OpenBabel__OBGenericData(void * x,int * SWIGUNUSEDPARM (newmemory))39329 static void *_p_OpenBabel__OBTorsionDataTo_p_OpenBabel__OBGenericData(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39330     return (void *)((OpenBabel::OBGenericData *)  ((OpenBabel::OBTorsionData *) x));
39331 }
_p_OpenBabel__OBElectronicTransitionDataTo_p_OpenBabel__OBGenericData(void * x,int * SWIGUNUSEDPARM (newmemory))39332 static void *_p_OpenBabel__OBElectronicTransitionDataTo_p_OpenBabel__OBGenericData(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39333     return (void *)((OpenBabel::OBGenericData *)  ((OpenBabel::OBElectronicTransitionData *) x));
39334 }
_p_OpenBabel__OBRotationDataTo_p_OpenBabel__OBGenericData(void * x,int * SWIGUNUSEDPARM (newmemory))39335 static void *_p_OpenBabel__OBRotationDataTo_p_OpenBabel__OBGenericData(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39336     return (void *)((OpenBabel::OBGenericData *)  ((OpenBabel::OBRotationData *) x));
39337 }
_p_OpenBabel__OBPairDataTo_p_OpenBabel__OBGenericData(void * x,int * SWIGUNUSEDPARM (newmemory))39338 static void *_p_OpenBabel__OBPairDataTo_p_OpenBabel__OBGenericData(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39339     return (void *)((OpenBabel::OBGenericData *)  ((OpenBabel::OBPairData *) x));
39340 }
_p_OpenBabel__AliasDataTo_p_OpenBabel__OBGenericData(void * x,int * SWIGUNUSEDPARM (newmemory))39341 static void *_p_OpenBabel__AliasDataTo_p_OpenBabel__OBGenericData(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39342     return (void *)((OpenBabel::OBGenericData *)  ((OpenBabel::AliasData *) x));
39343 }
_p_OpenBabel__OBAngleDataTo_p_OpenBabel__OBGenericData(void * x,int * SWIGUNUSEDPARM (newmemory))39344 static void *_p_OpenBabel__OBAngleDataTo_p_OpenBabel__OBGenericData(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39345     return (void *)((OpenBabel::OBGenericData *)  ((OpenBabel::OBAngleData *) x));
39346 }
_p_OpenBabel__OBFreeGridTo_p_OpenBabel__OBGenericData(void * x,int * SWIGUNUSEDPARM (newmemory))39347 static void *_p_OpenBabel__OBFreeGridTo_p_OpenBabel__OBGenericData(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39348     return (void *)((OpenBabel::OBGenericData *)  ((OpenBabel::OBFreeGrid *) x));
39349 }
_p_OpenBabel__OBAtomClassDataTo_p_OpenBabel__OBGenericData(void * x,int * SWIGUNUSEDPARM (newmemory))39350 static void *_p_OpenBabel__OBAtomClassDataTo_p_OpenBabel__OBGenericData(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39351     return (void *)((OpenBabel::OBGenericData *)  ((OpenBabel::OBAtomClassData *) x));
39352 }
_p_OpenBabel__OBTetraNonPlanarStereoTo_p_OpenBabel__OBGenericData(void * x,int * SWIGUNUSEDPARM (newmemory))39353 static void *_p_OpenBabel__OBTetraNonPlanarStereoTo_p_OpenBabel__OBGenericData(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39354     return (void *)((OpenBabel::OBGenericData *) (OpenBabel::OBStereoBase *) ((OpenBabel::OBTetraNonPlanarStereo *) x));
39355 }
_p_OpenBabel__OBTetraPlanarStereoTo_p_OpenBabel__OBGenericData(void * x,int * SWIGUNUSEDPARM (newmemory))39356 static void *_p_OpenBabel__OBTetraPlanarStereoTo_p_OpenBabel__OBGenericData(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39357     return (void *)((OpenBabel::OBGenericData *) (OpenBabel::OBStereoBase *) ((OpenBabel::OBTetraPlanarStereo *) x));
39358 }
_p_OpenBabel__OBTetrahedralStereoTo_p_OpenBabel__OBGenericData(void * x,int * SWIGUNUSEDPARM (newmemory))39359 static void *_p_OpenBabel__OBTetrahedralStereoTo_p_OpenBabel__OBGenericData(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39360     return (void *)((OpenBabel::OBGenericData *) (OpenBabel::OBStereoBase *)(OpenBabel::OBTetraNonPlanarStereo *) ((OpenBabel::OBTetrahedralStereo *) x));
39361 }
_p_OpenBabel__OBSquarePlanarStereoTo_p_OpenBabel__OBGenericData(void * x,int * SWIGUNUSEDPARM (newmemory))39362 static void *_p_OpenBabel__OBSquarePlanarStereoTo_p_OpenBabel__OBGenericData(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39363     return (void *)((OpenBabel::OBGenericData *) (OpenBabel::OBStereoBase *)(OpenBabel::OBTetraPlanarStereo *) ((OpenBabel::OBSquarePlanarStereo *) x));
39364 }
_p_OpenBabel__OBChiralDataTo_p_OpenBabel__OBGenericData(void * x,int * SWIGUNUSEDPARM (newmemory))39365 static void *_p_OpenBabel__OBChiralDataTo_p_OpenBabel__OBGenericData(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39366     return (void *)((OpenBabel::OBGenericData *)  ((OpenBabel::OBChiralData *) x));
39367 }
_p_OpenBabel__OBOrbitalDataTo_p_OpenBabel__OBGenericData(void * x,int * SWIGUNUSEDPARM (newmemory))39368 static void *_p_OpenBabel__OBOrbitalDataTo_p_OpenBabel__OBGenericData(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39369     return (void *)((OpenBabel::OBGenericData *)  ((OpenBabel::OBOrbitalData *) x));
39370 }
_p_OpenBabel__OBRingDataTo_p_OpenBabel__OBGenericData(void * x,int * SWIGUNUSEDPARM (newmemory))39371 static void *_p_OpenBabel__OBRingDataTo_p_OpenBabel__OBGenericData(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39372     return (void *)((OpenBabel::OBGenericData *)  ((OpenBabel::OBRingData *) x));
39373 }
_p_OpenBabel__OBSerialNumsTo_p_OpenBabel__OBGenericData(void * x,int * SWIGUNUSEDPARM (newmemory))39374 static void *_p_OpenBabel__OBSerialNumsTo_p_OpenBabel__OBGenericData(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39375     return (void *)((OpenBabel::OBGenericData *)  ((OpenBabel::OBSerialNums *) x));
39376 }
_p_OpenBabel__OBExternalBondDataTo_p_OpenBabel__OBGenericData(void * x,int * SWIGUNUSEDPARM (newmemory))39377 static void *_p_OpenBabel__OBExternalBondDataTo_p_OpenBabel__OBGenericData(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39378     return (void *)((OpenBabel::OBGenericData *)  ((OpenBabel::OBExternalBondData *) x));
39379 }
_p_OpenBabel__OBSetDataTo_p_OpenBabel__OBGenericData(void * x,int * SWIGUNUSEDPARM (newmemory))39380 static void *_p_OpenBabel__OBSetDataTo_p_OpenBabel__OBGenericData(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39381     return (void *)((OpenBabel::OBGenericData *)  ((OpenBabel::OBSetData *) x));
39382 }
_p_OpenBabel__OBSymmetryDataTo_p_OpenBabel__OBGenericData(void * x,int * SWIGUNUSEDPARM (newmemory))39383 static void *_p_OpenBabel__OBSymmetryDataTo_p_OpenBabel__OBGenericData(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39384     return (void *)((OpenBabel::OBGenericData *)  ((OpenBabel::OBSymmetryData *) x));
39385 }
_p_OpenBabel__OBMatrixDataTo_p_OpenBabel__OBGenericData(void * x,int * SWIGUNUSEDPARM (newmemory))39386 static void *_p_OpenBabel__OBMatrixDataTo_p_OpenBabel__OBGenericData(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39387     return (void *)((OpenBabel::OBGenericData *)  ((OpenBabel::OBMatrixData *) x));
39388 }
_p_OpenBabel__OBCommentDataTo_p_OpenBabel__OBGenericData(void * x,int * SWIGUNUSEDPARM (newmemory))39389 static void *_p_OpenBabel__OBCommentDataTo_p_OpenBabel__OBGenericData(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39390     return (void *)((OpenBabel::OBGenericData *)  ((OpenBabel::OBCommentData *) x));
39391 }
_p_OpenBabel__OBVectorDataTo_p_OpenBabel__OBGenericData(void * x,int * SWIGUNUSEDPARM (newmemory))39392 static void *_p_OpenBabel__OBVectorDataTo_p_OpenBabel__OBGenericData(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39393     return (void *)((OpenBabel::OBGenericData *)  ((OpenBabel::OBVectorData *) x));
39394 }
_p_OpenBabel__OBVirtualBondTo_p_OpenBabel__OBGenericData(void * x,int * SWIGUNUSEDPARM (newmemory))39395 static void *_p_OpenBabel__OBVirtualBondTo_p_OpenBabel__OBGenericData(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39396     return (void *)((OpenBabel::OBGenericData *)  ((OpenBabel::OBVirtualBond *) x));
39397 }
_p_OpenBabel__OBConformerDataTo_p_OpenBabel__OBGenericData(void * x,int * SWIGUNUSEDPARM (newmemory))39398 static void *_p_OpenBabel__OBConformerDataTo_p_OpenBabel__OBGenericData(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39399     return (void *)((OpenBabel::OBGenericData *)  ((OpenBabel::OBConformerData *) x));
39400 }
_p_OpenBabel__OBDOSDataTo_p_OpenBabel__OBGenericData(void * x,int * SWIGUNUSEDPARM (newmemory))39401 static void *_p_OpenBabel__OBDOSDataTo_p_OpenBabel__OBGenericData(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39402     return (void *)((OpenBabel::OBGenericData *)  ((OpenBabel::OBDOSData *) x));
39403 }
_p_OpenBabel__OBGridDataTo_p_OpenBabel__OBGenericData(void * x,int * SWIGUNUSEDPARM (newmemory))39404 static void *_p_OpenBabel__OBGridDataTo_p_OpenBabel__OBGenericData(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39405     return (void *)((OpenBabel::OBGenericData *)  ((OpenBabel::OBGridData *) x));
39406 }
_p_OpenBabel__OBUnitCellTo_p_OpenBabel__OBGenericData(void * x,int * SWIGUNUSEDPARM (newmemory))39407 static void *_p_OpenBabel__OBUnitCellTo_p_OpenBabel__OBGenericData(void *x, int *SWIGUNUSEDPARM(newmemory)) {
39408     return (void *)((OpenBabel::OBGenericData *)  ((OpenBabel::OBUnitCell *) x));
39409 }
39410 static swig_type_info _swigt__p_ConstRefIter = {"_p_ConstRefIter", "ConstRefIter *", 0, 0, (void*)0, 0};
39411 static swig_type_info _swigt__p_Mapping = {"_p_Mapping", "Mapping *", 0, 0, (void*)0, 0};
39412 static swig_type_info _swigt__p_Mappings = {"_p_Mappings", "Mappings *", 0, 0, (void*)0, 0};
39413 static swig_type_info _swigt__p_OpMap = {"_p_OpMap", "OpMap *", 0, 0, (void*)0, 0};
39414 static swig_type_info _swigt__p_OpenBabel__AliasData = {"_p_OpenBabel__AliasData", "OpenBabel::AliasData *", 0, 0, (void*)0, 0};
39415 static swig_type_info _swigt__p_OpenBabel__CharPtrLess = {"_p_OpenBabel__CharPtrLess", "OpenBabel::CharPtrLess *", 0, 0, (void*)0, 0};
39416 static swig_type_info _swigt__p_OpenBabel__DoubleType = {"_p_OpenBabel__DoubleType", "OpenBabel::DoubleType *", 0, 0, (void*)0, 0};
39417 static swig_type_info _swigt__p_OpenBabel__FastSearch = {"_p_OpenBabel__FastSearch", "OpenBabel::FastSearch *", 0, 0, (void*)0, 0};
39418 static swig_type_info _swigt__p_OpenBabel__FastSearchIndexer = {"_p_OpenBabel__FastSearchIndexer", "OpenBabel::FastSearchIndexer *", 0, 0, (void*)0, 0};
39419 static swig_type_info _swigt__p_OpenBabel__FptIndex = {"_p_OpenBabel__FptIndex", "OpenBabel::FptIndex *", 0, 0, (void*)0, 0};
39420 static swig_type_info _swigt__p_OpenBabel__FptIndexHeader = {"_p_OpenBabel__FptIndexHeader", "OpenBabel::FptIndexHeader *", 0, 0, (void*)0, 0};
39421 static swig_type_info _swigt__p_OpenBabel__LineSearchType = {"_p_OpenBabel__LineSearchType", "OpenBabel::LineSearchType *", 0, 0, (void*)0, 0};
39422 static swig_type_info _swigt__p_OpenBabel__OBAlign = {"_p_OpenBabel__OBAlign", "OpenBabel::OBAlign *", 0, 0, (void*)0, 0};
39423 static swig_type_info _swigt__p_OpenBabel__OBAngle = {"_p_OpenBabel__OBAngle", "OpenBabel::OBAngle *", 0, 0, (void*)0, 0};
39424 static swig_type_info _swigt__p_OpenBabel__OBAngleData = {"_p_OpenBabel__OBAngleData", "OpenBabel::OBAngleData *", 0, 0, (void*)0, 0};
39425 static swig_type_info _swigt__p_OpenBabel__OBAromaticTyper = {"_p_OpenBabel__OBAromaticTyper", "OpenBabel::OBAromaticTyper *", 0, 0, (void*)0, 0};
39426 static swig_type_info _swigt__p_OpenBabel__OBAtom = {"_p_OpenBabel__OBAtom", "OpenBabel::OBNodeBase *|OpenBabel::OBAtom *", 0, 0, (void*)0, 0};
39427 static swig_type_info _swigt__p_OpenBabel__OBAtomAtomIter = {"_p_OpenBabel__OBAtomAtomIter", "OpenBabel::OBAtomAtomIter *", 0, 0, (void*)0, 0};
39428 static swig_type_info _swigt__p_OpenBabel__OBAtomBondIter = {"_p_OpenBabel__OBAtomBondIter", "OpenBabel::OBAtomBondIter *", 0, 0, (void*)0, 0};
39429 static swig_type_info _swigt__p_OpenBabel__OBAtomClassData = {"_p_OpenBabel__OBAtomClassData", "OpenBabel::OBAtomClassData *", 0, 0, (void*)0, 0};
39430 static swig_type_info _swigt__p_OpenBabel__OBAtomHOF = {"_p_OpenBabel__OBAtomHOF", "OpenBabel::OBAtomHOF *", 0, 0, (void*)0, 0};
39431 static swig_type_info _swigt__p_OpenBabel__OBAtomTyper = {"_p_OpenBabel__OBAtomTyper", "OpenBabel::OBAtomTyper *", 0, 0, (void*)0, 0};
39432 static swig_type_info _swigt__p_OpenBabel__OBAtomicHeatOfFormationTable = {"_p_OpenBabel__OBAtomicHeatOfFormationTable", "OpenBabel::OBAtomicHeatOfFormationTable *", 0, 0, (void*)0, 0};
39433 static swig_type_info _swigt__p_OpenBabel__OBBase = {"_p_OpenBabel__OBBase", "OpenBabel::OBBase *", 0, 0, (void*)0, 0};
39434 static swig_type_info _swigt__p_OpenBabel__OBBitVec = {"_p_OpenBabel__OBBitVec", "OpenBabel::OBBitVec *", 0, 0, (void*)0, 0};
39435 static swig_type_info _swigt__p_OpenBabel__OBBond = {"_p_OpenBabel__OBBond", "std::vector< OpenBabel::OBBond >::value_type *|OpenBabel::OBBond *|OpenBabel::OBEdgeBase *", 0, 0, (void*)0, 0};
39436 static swig_type_info _swigt__p_OpenBabel__OBBuilder = {"_p_OpenBabel__OBBuilder", "OpenBabel::OBBuilder *", 0, 0, (void*)0, 0};
39437 static swig_type_info _swigt__p_OpenBabel__OBChainsParser = {"_p_OpenBabel__OBChainsParser", "OpenBabel::OBChainsParser *", 0, 0, (void*)0, 0};
39438 static swig_type_info _swigt__p_OpenBabel__OBChargeModel = {"_p_OpenBabel__OBChargeModel", "OpenBabel::OBChargeModel *", 0, 0, (void*)0, 0};
39439 static swig_type_info _swigt__p_OpenBabel__OBChiralData = {"_p_OpenBabel__OBChiralData", "OpenBabel::OBChiralData *", 0, 0, (void*)0, 0};
39440 static swig_type_info _swigt__p_OpenBabel__OBCisTransConfig = {"_p_OpenBabel__OBCisTransConfig", "OpenBabel::OBCisTransConfig *", 0, 0, (void*)0, 0};
39441 static swig_type_info _swigt__p_OpenBabel__OBCisTransStereo = {"_p_OpenBabel__OBCisTransStereo", "OpenBabel::OBCisTransStereo *", 0, 0, (void*)0, 0};
39442 static swig_type_info _swigt__p_OpenBabel__OBCommentData = {"_p_OpenBabel__OBCommentData", "OpenBabel::OBCommentData *", 0, 0, (void*)0, 0};
39443 static swig_type_info _swigt__p_OpenBabel__OBConformerData = {"_p_OpenBabel__OBConformerData", "OpenBabel::OBConformerData *", 0, 0, (void*)0, 0};
39444 static swig_type_info _swigt__p_OpenBabel__OBConformerFilter = {"_p_OpenBabel__OBConformerFilter", "OpenBabel::OBConformerFilter *", 0, 0, (void*)0, 0};
39445 static swig_type_info _swigt__p_OpenBabel__OBConformerFilters = {"_p_OpenBabel__OBConformerFilters", "OpenBabel::OBConformerFilters *", 0, 0, (void*)0, 0};
39446 static swig_type_info _swigt__p_OpenBabel__OBConformerScore = {"_p_OpenBabel__OBConformerScore", "OpenBabel::OBConformerScore *", 0, 0, (void*)0, 0};
39447 static swig_type_info _swigt__p_OpenBabel__OBConformerSearch = {"_p_OpenBabel__OBConformerSearch", "OpenBabel::OBConformerSearch *", 0, 0, (void*)0, 0};
39448 static swig_type_info _swigt__p_OpenBabel__OBConversion = {"_p_OpenBabel__OBConversion", "OpenBabel::OBConversion *", 0, 0, (void*)0, 0};
39449 static swig_type_info _swigt__p_OpenBabel__OBDOSData = {"_p_OpenBabel__OBDOSData", "OpenBabel::OBDOSData *", 0, 0, (void*)0, 0};
39450 static swig_type_info _swigt__p_OpenBabel__OBDescriptor = {"_p_OpenBabel__OBDescriptor", "OpenBabel::OBDescriptor *", 0, 0, (void*)0, 0};
39451 static swig_type_info _swigt__p_OpenBabel__OBElectronicTransitionData = {"_p_OpenBabel__OBElectronicTransitionData", "OpenBabel::OBElectronicTransitionData *", 0, 0, (void*)0, 0};
39452 static swig_type_info _swigt__p_OpenBabel__OBElement = {"_p_OpenBabel__OBElement", "OpenBabel::OBElement *", 0, 0, (void*)0, 0};
39453 static swig_type_info _swigt__p_OpenBabel__OBElementTable = {"_p_OpenBabel__OBElementTable", "OpenBabel::OBElementTable *", 0, 0, (void*)0, 0};
39454 static swig_type_info _swigt__p_OpenBabel__OBEnergyConformerScore = {"_p_OpenBabel__OBEnergyConformerScore", "OpenBabel::OBEnergyConformerScore *", 0, 0, (void*)0, 0};
39455 static swig_type_info _swigt__p_OpenBabel__OBError = {"_p_OpenBabel__OBError", "OpenBabel::OBError *", 0, 0, (void*)0, 0};
39456 static swig_type_info _swigt__p_OpenBabel__OBExternalBond = {"_p_OpenBabel__OBExternalBond", "OpenBabel::OBExternalBond *", 0, 0, (void*)0, 0};
39457 static swig_type_info _swigt__p_OpenBabel__OBExternalBondData = {"_p_OpenBabel__OBExternalBondData", "OpenBabel::OBExternalBondData *", 0, 0, (void*)0, 0};
39458 static swig_type_info _swigt__p_OpenBabel__OBFFCalculation2 = {"_p_OpenBabel__OBFFCalculation2", "OpenBabel::OBFFCalculation2 *", 0, 0, (void*)0, 0};
39459 static swig_type_info _swigt__p_OpenBabel__OBFFCalculation3 = {"_p_OpenBabel__OBFFCalculation3", "OpenBabel::OBFFCalculation3 *", 0, 0, (void*)0, 0};
39460 static swig_type_info _swigt__p_OpenBabel__OBFFCalculation4 = {"_p_OpenBabel__OBFFCalculation4", "OpenBabel::OBFFCalculation4 *", 0, 0, (void*)0, 0};
39461 static swig_type_info _swigt__p_OpenBabel__OBFFConstraint = {"_p_OpenBabel__OBFFConstraint", "OpenBabel::OBFFConstraint *", 0, 0, (void*)0, 0};
39462 static swig_type_info _swigt__p_OpenBabel__OBFFConstraints = {"_p_OpenBabel__OBFFConstraints", "OpenBabel::OBFFConstraints *", 0, 0, (void*)0, 0};
39463 static swig_type_info _swigt__p_OpenBabel__OBFFParameter = {"_p_OpenBabel__OBFFParameter", "OpenBabel::OBFFParameter *", 0, 0, (void*)0, 0};
39464 static swig_type_info _swigt__p_OpenBabel__OBFingerprint = {"_p_OpenBabel__OBFingerprint", "OpenBabel::OBFingerprint *", 0, 0, (void*)0, 0};
39465 static swig_type_info _swigt__p_OpenBabel__OBForceField = {"_p_OpenBabel__OBForceField", "OpenBabel::OBForceField *", 0, 0, (void*)0, 0};
39466 static swig_type_info _swigt__p_OpenBabel__OBFormat = {"_p_OpenBabel__OBFormat", "OpenBabel::OBFormat *", 0, 0, (void*)0, 0};
39467 static swig_type_info _swigt__p_OpenBabel__OBFreeGrid = {"_p_OpenBabel__OBFreeGrid", "OpenBabel::OBFreeGrid *", 0, 0, (void*)0, 0};
39468 static swig_type_info _swigt__p_OpenBabel__OBFreeGridPoint = {"_p_OpenBabel__OBFreeGridPoint", "OpenBabel::OBFreeGridPoint *", 0, 0, (void*)0, 0};
39469 static swig_type_info _swigt__p_OpenBabel__OBGenericData = {"_p_OpenBabel__OBGenericData", "OpenBabel::OBGenericData *|std::vector< OpenBabel::OBGenericData * >::value_type", 0, 0, (void*)0, 0};
39470 static swig_type_info _swigt__p_OpenBabel__OBGlobalDataBase = {"_p_OpenBabel__OBGlobalDataBase", "OpenBabel::OBGlobalDataBase *", 0, 0, (void*)0, 0};
39471 static swig_type_info _swigt__p_OpenBabel__OBGraphSym = {"_p_OpenBabel__OBGraphSym", "OpenBabel::OBGraphSym *", 0, 0, (void*)0, 0};
39472 static swig_type_info _swigt__p_OpenBabel__OBGridData = {"_p_OpenBabel__OBGridData", "OpenBabel::OBGridData *", 0, 0, (void*)0, 0};
39473 static swig_type_info _swigt__p_OpenBabel__OBInternalCoord = {"_p_OpenBabel__OBInternalCoord", "std::vector< OpenBabel::OBInternalCoord * >::value_type|OpenBabel::OBInternalCoord *", 0, 0, (void*)0, 0};
39474 static swig_type_info _swigt__p_OpenBabel__OBIsomorphismMapper = {"_p_OpenBabel__OBIsomorphismMapper", "OpenBabel::OBIsomorphismMapper *", 0, 0, (void*)0, 0};
39475 static swig_type_info _swigt__p_OpenBabel__OBIsomorphismMapper__Functor = {"_p_OpenBabel__OBIsomorphismMapper__Functor", "OpenBabel::OBIsomorphismMapper::Functor *", 0, 0, (void*)0, 0};
39476 static swig_type_info _swigt__p_OpenBabel__OBIsotopeTable = {"_p_OpenBabel__OBIsotopeTable", "OpenBabel::OBIsotopeTable *", 0, 0, (void*)0, 0};
39477 static swig_type_info _swigt__p_OpenBabel__OBMatrixData = {"_p_OpenBabel__OBMatrixData", "OpenBabel::OBMatrixData *", 0, 0, (void*)0, 0};
39478 static swig_type_info _swigt__p_OpenBabel__OBMessageHandler = {"_p_OpenBabel__OBMessageHandler", "OpenBabel::OBMessageHandler *", 0, 0, (void*)0, 0};
39479 static swig_type_info _swigt__p_OpenBabel__OBMinimizingEnergyConformerScore = {"_p_OpenBabel__OBMinimizingEnergyConformerScore", "OpenBabel::OBMinimizingEnergyConformerScore *", 0, 0, (void*)0, 0};
39480 static swig_type_info _swigt__p_OpenBabel__OBMinimizingRMSDConformerScore = {"_p_OpenBabel__OBMinimizingRMSDConformerScore", "OpenBabel::OBMinimizingRMSDConformerScore *", 0, 0, (void*)0, 0};
39481 static swig_type_info _swigt__p_OpenBabel__OBMol = {"_p_OpenBabel__OBMol", "std::vector< OpenBabel::OBMol >::value_type *|OpenBabel::OBMol *", 0, 0, (void*)0, 0};
39482 static swig_type_info _swigt__p_OpenBabel__OBMolAngleIter = {"_p_OpenBabel__OBMolAngleIter", "OpenBabel::OBMolAngleIter *", 0, 0, (void*)0, 0};
39483 static swig_type_info _swigt__p_OpenBabel__OBMolAtomBFSIter = {"_p_OpenBabel__OBMolAtomBFSIter", "OpenBabel::OBMolAtomBFSIter *", 0, 0, (void*)0, 0};
39484 static swig_type_info _swigt__p_OpenBabel__OBMolAtomDFSIter = {"_p_OpenBabel__OBMolAtomDFSIter", "OpenBabel::OBMolAtomDFSIter *", 0, 0, (void*)0, 0};
39485 static swig_type_info _swigt__p_OpenBabel__OBMolAtomIter = {"_p_OpenBabel__OBMolAtomIter", "OpenBabel::OBMolAtomIter *", 0, 0, (void*)0, 0};
39486 static swig_type_info _swigt__p_OpenBabel__OBMolBondBFSIter = {"_p_OpenBabel__OBMolBondBFSIter", "OpenBabel::OBMolBondBFSIter *", 0, 0, (void*)0, 0};
39487 static swig_type_info _swigt__p_OpenBabel__OBMolBondIter = {"_p_OpenBabel__OBMolBondIter", "OpenBabel::OBMolBondIter *", 0, 0, (void*)0, 0};
39488 static swig_type_info _swigt__p_OpenBabel__OBMolPairIter = {"_p_OpenBabel__OBMolPairIter", "OpenBabel::OBMolPairIter *", 0, 0, (void*)0, 0};
39489 static swig_type_info _swigt__p_OpenBabel__OBMolRingIter = {"_p_OpenBabel__OBMolRingIter", "OpenBabel::OBMolRingIter *", 0, 0, (void*)0, 0};
39490 static swig_type_info _swigt__p_OpenBabel__OBMolTorsionIter = {"_p_OpenBabel__OBMolTorsionIter", "OpenBabel::OBMolTorsionIter *", 0, 0, (void*)0, 0};
39491 static swig_type_info _swigt__p_OpenBabel__OBNasaThermoData = {"_p_OpenBabel__OBNasaThermoData", "OpenBabel::OBNasaThermoData *", 0, 0, (void*)0, 0};
39492 static swig_type_info _swigt__p_OpenBabel__OBOp = {"_p_OpenBabel__OBOp", "OpenBabel::OBOp *", 0, 0, (void*)0, 0};
39493 static swig_type_info _swigt__p_OpenBabel__OBOrbital = {"_p_OpenBabel__OBOrbital", "OpenBabel::OBOrbital *", 0, 0, (void*)0, 0};
39494 static swig_type_info _swigt__p_OpenBabel__OBOrbitalData = {"_p_OpenBabel__OBOrbitalData", "OpenBabel::OBOrbitalData *", 0, 0, (void*)0, 0};
39495 static swig_type_info _swigt__p_OpenBabel__OBPairData = {"_p_OpenBabel__OBPairData", "OpenBabel::OBPairData *", 0, 0, (void*)0, 0};
39496 static swig_type_info _swigt__p_OpenBabel__OBPairTemplateT_bool_t = {"_p_OpenBabel__OBPairTemplateT_bool_t", "OpenBabel::OBPairBool *|OpenBabel::OBPairTemplate< bool > *", 0, 0, (void*)0, 0};
39497 static swig_type_info _swigt__p_OpenBabel__OBPairTemplateT_double_t = {"_p_OpenBabel__OBPairTemplateT_double_t", "OpenBabel::OBPairFloatingPoint *|OpenBabel::OBPairTemplate< double > *", 0, 0, (void*)0, 0};
39498 static swig_type_info _swigt__p_OpenBabel__OBPairTemplateT_int_t = {"_p_OpenBabel__OBPairTemplateT_int_t", "OpenBabel::OBPairInteger *|OpenBabel::OBPairTemplate< int > *", 0, 0, (void*)0, 0};
39499 static swig_type_info _swigt__p_OpenBabel__OBPlugin = {"_p_OpenBabel__OBPlugin", "OpenBabel::OBPlugin *", 0, 0, (void*)0, 0};
39500 static swig_type_info _swigt__p_OpenBabel__OBPlugin__PluginMapType__const_iterator = {"_p_OpenBabel__OBPlugin__PluginMapType__const_iterator", "OpenBabel::OBPlugin::PluginMapType::const_iterator *|OpenBabel::OBPlugin::PluginIterator *|OpenBabel::Formatpos *", 0, 0, (void*)0, 0};
39501 static swig_type_info _swigt__p_OpenBabel__OBQuery = {"_p_OpenBabel__OBQuery", "OpenBabel::OBQuery *", 0, 0, (void*)0, 0};
39502 static swig_type_info _swigt__p_OpenBabel__OBQueryAtom = {"_p_OpenBabel__OBQueryAtom", "OpenBabel::OBQueryAtom *", 0, 0, (void*)0, 0};
39503 static swig_type_info _swigt__p_OpenBabel__OBQueryBond = {"_p_OpenBabel__OBQueryBond", "OpenBabel::OBQueryBond *", 0, 0, (void*)0, 0};
39504 static swig_type_info _swigt__p_OpenBabel__OBRMSDConformerScore = {"_p_OpenBabel__OBRMSDConformerScore", "OpenBabel::OBRMSDConformerScore *", 0, 0, (void*)0, 0};
39505 static swig_type_info _swigt__p_OpenBabel__OBRTree = {"_p_OpenBabel__OBRTree", "OpenBabel::OBRTree *", 0, 0, (void*)0, 0};
39506 static swig_type_info _swigt__p_OpenBabel__OBRandom = {"_p_OpenBabel__OBRandom", "OpenBabel::OBRandom *", 0, 0, (void*)0, 0};
39507 static swig_type_info _swigt__p_OpenBabel__OBRateData = {"_p_OpenBabel__OBRateData", "OpenBabel::OBRateData *", 0, 0, (void*)0, 0};
39508 static swig_type_info _swigt__p_OpenBabel__OBReaction = {"_p_OpenBabel__OBReaction", "OpenBabel::OBReaction *", 0, 0, (void*)0, 0};
39509 static swig_type_info _swigt__p_OpenBabel__OBResidue = {"_p_OpenBabel__OBResidue", "std::vector< OpenBabel::OBResidue >::value_type *|OpenBabel::OBResidue *", 0, 0, (void*)0, 0};
39510 static swig_type_info _swigt__p_OpenBabel__OBResidueAtomIter = {"_p_OpenBabel__OBResidueAtomIter", "OpenBabel::OBResidueAtomIter *", 0, 0, (void*)0, 0};
39511 static swig_type_info _swigt__p_OpenBabel__OBResidueData = {"_p_OpenBabel__OBResidueData", "OpenBabel::OBResidueData *", 0, 0, (void*)0, 0};
39512 static swig_type_info _swigt__p_OpenBabel__OBResidueIter = {"_p_OpenBabel__OBResidueIter", "OpenBabel::OBResidueIter *", 0, 0, (void*)0, 0};
39513 static swig_type_info _swigt__p_OpenBabel__OBRing = {"_p_OpenBabel__OBRing", "std::vector< OpenBabel::OBRing >::value_type *|std::vector< OpenBabel::OBRing * >::value_type|OpenBabel::OBRing *", 0, 0, (void*)0, 0};
39514 static swig_type_info _swigt__p_OpenBabel__OBRingData = {"_p_OpenBabel__OBRingData", "OpenBabel::OBRingData *", 0, 0, (void*)0, 0};
39515 static swig_type_info _swigt__p_OpenBabel__OBRingSearch = {"_p_OpenBabel__OBRingSearch", "OpenBabel::OBRingSearch *", 0, 0, (void*)0, 0};
39516 static swig_type_info _swigt__p_OpenBabel__OBRingTyper = {"_p_OpenBabel__OBRingTyper", "OpenBabel::OBRingTyper *", 0, 0, (void*)0, 0};
39517 static swig_type_info _swigt__p_OpenBabel__OBRotamerList = {"_p_OpenBabel__OBRotamerList", "OpenBabel::OBRotamerList *", 0, 0, (void*)0, 0};
39518 static swig_type_info _swigt__p_OpenBabel__OBRotationData = {"_p_OpenBabel__OBRotationData", "OpenBabel::OBRotationData *", 0, 0, (void*)0, 0};
39519 static swig_type_info _swigt__p_OpenBabel__OBRotor = {"_p_OpenBabel__OBRotor", "OpenBabel::OBRotor *", 0, 0, (void*)0, 0};
39520 static swig_type_info _swigt__p_OpenBabel__OBRotorKeys = {"_p_OpenBabel__OBRotorKeys", "OpenBabel::OBRotorKeys *", 0, 0, (void*)0, 0};
39521 static swig_type_info _swigt__p_OpenBabel__OBRotorList = {"_p_OpenBabel__OBRotorList", "OpenBabel::OBRotorList *", 0, 0, (void*)0, 0};
39522 static swig_type_info _swigt__p_OpenBabel__OBRotorRule = {"_p_OpenBabel__OBRotorRule", "OpenBabel::OBRotorRule *", 0, 0, (void*)0, 0};
39523 static swig_type_info _swigt__p_OpenBabel__OBRotorRules = {"_p_OpenBabel__OBRotorRules", "OpenBabel::OBRotorRules *", 0, 0, (void*)0, 0};
39524 static swig_type_info _swigt__p_OpenBabel__OBSSMatch = {"_p_OpenBabel__OBSSMatch", "OpenBabel::OBSSMatch *", 0, 0, (void*)0, 0};
39525 static swig_type_info _swigt__p_OpenBabel__OBSerialNums = {"_p_OpenBabel__OBSerialNums", "OpenBabel::OBSerialNums *", 0, 0, (void*)0, 0};
39526 static swig_type_info _swigt__p_OpenBabel__OBSetData = {"_p_OpenBabel__OBSetData", "OpenBabel::OBSetData *", 0, 0, (void*)0, 0};
39527 static swig_type_info _swigt__p_OpenBabel__OBSmartsMatcher = {"_p_OpenBabel__OBSmartsMatcher", "OpenBabel::OBSmartsMatcher *", 0, 0, (void*)0, 0};
39528 static swig_type_info _swigt__p_OpenBabel__OBSmartsPattern = {"_p_OpenBabel__OBSmartsPattern", "OpenBabel::OBSmartsPattern *", 0, 0, (void*)0, 0};
39529 static swig_type_info _swigt__p_OpenBabel__OBSpectrophore = {"_p_OpenBabel__OBSpectrophore", "OpenBabel::OBSpectrophore *", 0, 0, (void*)0, 0};
39530 static swig_type_info _swigt__p_OpenBabel__OBSqrtTbl = {"_p_OpenBabel__OBSqrtTbl", "OpenBabel::OBSqrtTbl *", 0, 0, (void*)0, 0};
39531 static swig_type_info _swigt__p_OpenBabel__OBSquarePlanarConfig = {"_p_OpenBabel__OBSquarePlanarConfig", "OpenBabel::OBSquarePlanarConfig *", 0, 0, (void*)0, 0};
39532 static swig_type_info _swigt__p_OpenBabel__OBSquarePlanarStereo = {"_p_OpenBabel__OBSquarePlanarStereo", "OpenBabel::OBSquarePlanarStereo *", 0, 0, (void*)0, 0};
39533 static swig_type_info _swigt__p_OpenBabel__OBStereo = {"_p_OpenBabel__OBStereo", "OpenBabel::OBStereo *", 0, 0, (void*)0, 0};
39534 static swig_type_info _swigt__p_OpenBabel__OBStereoBase = {"_p_OpenBabel__OBStereoBase", "OpenBabel::OBStereoBase *", 0, 0, (void*)0, 0};
39535 static swig_type_info _swigt__p_OpenBabel__OBStereoFacade = {"_p_OpenBabel__OBStereoFacade", "OpenBabel::OBStereoFacade *", 0, 0, (void*)0, 0};
39536 static swig_type_info _swigt__p_OpenBabel__OBStereoUnit = {"_p_OpenBabel__OBStereoUnit", "OpenBabel::OBStereoUnit *", 0, 0, (void*)0, 0};
39537 static swig_type_info _swigt__p_OpenBabel__OBStericConformerFilter = {"_p_OpenBabel__OBStericConformerFilter", "OpenBabel::OBStericConformerFilter *", 0, 0, (void*)0, 0};
39538 static swig_type_info _swigt__p_OpenBabel__OBStopwatch = {"_p_OpenBabel__OBStopwatch", "OpenBabel::OBStopwatch *", 0, 0, (void*)0, 0};
39539 static swig_type_info _swigt__p_OpenBabel__OBSymmetryData = {"_p_OpenBabel__OBSymmetryData", "OpenBabel::OBSymmetryData *", 0, 0, (void*)0, 0};
39540 static swig_type_info _swigt__p_OpenBabel__OBTetraNonPlanarStereo = {"_p_OpenBabel__OBTetraNonPlanarStereo", "OpenBabel::OBTetraNonPlanarStereo *", 0, 0, (void*)0, 0};
39541 static swig_type_info _swigt__p_OpenBabel__OBTetraPlanarStereo = {"_p_OpenBabel__OBTetraPlanarStereo", "OpenBabel::OBTetraPlanarStereo *", 0, 0, (void*)0, 0};
39542 static swig_type_info _swigt__p_OpenBabel__OBTetrahedralConfig = {"_p_OpenBabel__OBTetrahedralConfig", "OpenBabel::OBTetrahedralConfig *", 0, 0, (void*)0, 0};
39543 static swig_type_info _swigt__p_OpenBabel__OBTetrahedralStereo = {"_p_OpenBabel__OBTetrahedralStereo", "OpenBabel::OBTetrahedralStereo *", 0, 0, (void*)0, 0};
39544 static swig_type_info _swigt__p_OpenBabel__OBTorsion = {"_p_OpenBabel__OBTorsion", "OpenBabel::OBTorsion *", 0, 0, (void*)0, 0};
39545 static swig_type_info _swigt__p_OpenBabel__OBTorsionData = {"_p_OpenBabel__OBTorsionData", "OpenBabel::OBTorsionData *", 0, 0, (void*)0, 0};
39546 static swig_type_info _swigt__p_OpenBabel__OBTypeTable = {"_p_OpenBabel__OBTypeTable", "OpenBabel::OBTypeTable *", 0, 0, (void*)0, 0};
39547 static swig_type_info _swigt__p_OpenBabel__OBUnitCell = {"_p_OpenBabel__OBUnitCell", "OpenBabel::OBUnitCell *", 0, 0, (void*)0, 0};
39548 static swig_type_info _swigt__p_OpenBabel__OBVectorData = {"_p_OpenBabel__OBVectorData", "OpenBabel::OBVectorData *", 0, 0, (void*)0, 0};
39549 static swig_type_info _swigt__p_OpenBabel__OBVibrationData = {"_p_OpenBabel__OBVibrationData", "OpenBabel::OBVibrationData *", 0, 0, (void*)0, 0};
39550 static swig_type_info _swigt__p_OpenBabel__OBVirtualBond = {"_p_OpenBabel__OBVirtualBond", "OpenBabel::OBVirtualBond *", 0, 0, (void*)0, 0};
39551 static swig_type_info _swigt__p_OpenBabel__Pattern = {"_p_OpenBabel__Pattern", "OpenBabel::Pattern *", 0, 0, (void*)0, 0};
39552 static swig_type_info _swigt__p_OpenBabel__SpaceGroup = {"_p_OpenBabel__SpaceGroup", "OpenBabel::SpaceGroup *", 0, 0, (void*)0, 0};
39553 static swig_type_info _swigt__p_OpenBabel__Template = {"_p_OpenBabel__Template", "OpenBabel::Template *", 0, 0, (void*)0, 0};
39554 static swig_type_info _swigt__p_OpenBabel__matrix3x3 = {"_p_OpenBabel__matrix3x3", "OpenBabel::matrix3x3 *", 0, 0, (void*)0, 0};
39555 static swig_type_info _swigt__p_OpenBabel__obLogBuf = {"_p_OpenBabel__obLogBuf", "OpenBabel::obLogBuf *", 0, 0, (void*)0, 0};
39556 static swig_type_info _swigt__p_OpenBabel__quadT_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t = {"_p_OpenBabel__quadT_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t", "OpenBabel::quad< OpenBabel::OBAtom *,OpenBabel::OBAtom *,OpenBabel::OBAtom *,OpenBabel::OBAtom * > *", 0, 0, (void*)0, 0};
39557 static swig_type_info _swigt__p_OpenBabel__rotor_digit = {"_p_OpenBabel__rotor_digit", "OpenBabel::rotor_digit *", 0, 0, (void*)0, 0};
39558 static swig_type_info _swigt__p_OpenBabel__transform3d = {"_p_OpenBabel__transform3d", "OpenBabel::transform3d *", 0, 0, (void*)0, 0};
39559 static swig_type_info _swigt__p_OpenBabel__tripleT_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t = {"_p_OpenBabel__tripleT_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t", "OpenBabel::triple< OpenBabel::OBAtom *,OpenBabel::OBAtom *,OpenBabel::OBAtom * > *", 0, 0, (void*)0, 0};
39560 static swig_type_info _swigt__p_OpenBabel__vector3 = {"_p_OpenBabel__vector3", "std::vector< OpenBabel::vector3 >::value_type *|OpenBabel::vector3 *", 0, 0, (void*)0, 0};
39561 static swig_type_info _swigt__p_PluginIterator = {"_p_PluginIterator", "PluginIterator *", 0, 0, (void*)0, 0};
39562 static swig_type_info _swigt__p_PluginMapType = {"_p_PluginMapType", "PluginMapType *", 0, 0, (void*)0, 0};
39563 static swig_type_info _swigt__p_Ref = {"_p_Ref", "Ref *", 0, 0, (void*)0, 0};
39564 static swig_type_info _swigt__p_RefIter = {"_p_RefIter", "RefIter *", 0, 0, (void*)0, 0};
39565 static swig_type_info _swigt__p_Refs = {"_p_Refs", "Refs *", 0, 0, (void*)0, 0};
39566 static swig_type_info _swigt__p_Unit = {"_p_Unit", "Unit *", 0, 0, (void*)0, 0};
39567 static swig_type_info _swigt__p_a_3__double = {"_p_a_3__double", "double (*)[3]", 0, 0, (void*)0, 0};
39568 static swig_type_info _swigt__p_a_4__char = {"_p_a_4__char", "char (*)[4]", 0, 0, (void*)0, 0};
39569 static swig_type_info _swigt__p_allocator_type = {"_p_allocator_type", "allocator_type *", 0, 0, (void*)0, 0};
39570 static swig_type_info _swigt__p_char = {"_p_char", "char *", 0, 0, (void*)0, 0};
39571 static swig_type_info _swigt__p_const_reference = {"_p_const_reference", "const_reference *", 0, 0, (void*)0, 0};
39572 static swig_type_info _swigt__p_difference_type = {"_p_difference_type", "difference_type *", 0, 0, (void*)0, 0};
39573 static swig_type_info _swigt__p_double = {"_p_double", "double *", 0, 0, (void*)0, 0};
39574 static swig_type_info _swigt__p_first_type = {"_p_first_type", "first_type *", 0, 0, (void*)0, 0};
39575 static swig_type_info _swigt__p_int = {"_p_int", "int *", 0, 0, (void*)0, 0};
39576 static swig_type_info _swigt__p_obsharedptrT_OpenBabel__OBMol_t = {"_p_obsharedptrT_OpenBabel__OBMol_t", "obsharedptr< OpenBabel::OBMol > *", 0, 0, (void*)0, 0};
39577 static swig_type_info _swigt__p_p_OpenBabel__OBChargeModel = {"_p_p_OpenBabel__OBChargeModel", "OpenBabel::OBChargeModel **", 0, 0, (void*)0, 0};
39578 static swig_type_info _swigt__p_p_OpenBabel__OBDescriptor = {"_p_p_OpenBabel__OBDescriptor", "OpenBabel::OBDescriptor **", 0, 0, (void*)0, 0};
39579 static swig_type_info _swigt__p_p_OpenBabel__OBFingerprint = {"_p_p_OpenBabel__OBFingerprint", "OpenBabel::OBFingerprint **", 0, 0, (void*)0, 0};
39580 static swig_type_info _swigt__p_p_OpenBabel__OBForceField = {"_p_p_OpenBabel__OBForceField", "OpenBabel::OBForceField **", 0, 0, (void*)0, 0};
39581 static swig_type_info _swigt__p_p_OpenBabel__OBFormat = {"_p_p_OpenBabel__OBFormat", "OpenBabel::OBFormat **", 0, 0, (void*)0, 0};
39582 static swig_type_info _swigt__p_p_OpenBabel__OBOp = {"_p_p_OpenBabel__OBOp", "OpenBabel::OBOp **", 0, 0, (void*)0, 0};
39583 static swig_type_info _swigt__p_p_double = {"_p_p_double", "double **", 0, 0, (void*)0, 0};
39584 static swig_type_info _swigt__p_p_int = {"_p_p_int", "int **", 0, 0, (void*)0, 0};
39585 static swig_type_info _swigt__p_reference = {"_p_reference", "reference *", 0, 0, (void*)0, 0};
39586 static swig_type_info _swigt__p_second_type = {"_p_second_type", "second_type *", 0, 0, (void*)0, 0};
39587 static swig_type_info _swigt__p_size_type = {"_p_size_type", "size_type *", 0, 0, (void*)0, 0};
39588 static swig_type_info _swigt__p_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t = {"_p_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t", "std::allocator< std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > > *|std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::allocator_type *", 0, 0, (void*)0, 0};
39589 static swig_type_info _swigt__p_std__binary_functionT_char_const_p_char_const_p_bool_t = {"_p_std__binary_functionT_char_const_p_char_const_p_bool_t", "std::binary_function< char const *,char const *,bool > *", 0, 0, (void*)0, 0};
39590 static swig_type_info _swigt__p_std__dequeT_int_t = {"_p_std__dequeT_int_t", "std::deque< int > *", 0, 0, (void*)0, 0};
39591 static swig_type_info _swigt__p_std__istream = {"_p_std__istream", "std::istream *", 0, 0, (void*)0, 0};
39592 static swig_type_info _swigt__p_std__listT_OpenBabel__transform3d_p_t__const_iterator = {"_p_std__listT_OpenBabel__transform3d_p_t__const_iterator", "std::list< OpenBabel::transform3d * >::const_iterator *|OpenBabel::transform3dIterator *", 0, 0, (void*)0, 0};
39593 static swig_type_info _swigt__p_std__listT_OpenBabel__vector3_t = {"_p_std__listT_OpenBabel__vector3_t", "std::list< OpenBabel::vector3 > *", 0, 0, (void*)0, 0};
39594 static swig_type_info _swigt__p_std__mapT_OpenBabel__OBBond_p_OpenBabel__OBStereo__BondDirection_std__lessT_OpenBabel__OBBond_p_t_std__allocatorT_std__pairT_OpenBabel__OBBond_pconst_OpenBabel__OBStereo__BondDirection_t_t_t = {"_p_std__mapT_OpenBabel__OBBond_p_OpenBabel__OBStereo__BondDirection_std__lessT_OpenBabel__OBBond_p_t_std__allocatorT_std__pairT_OpenBabel__OBBond_pconst_OpenBabel__OBStereo__BondDirection_t_t_t", "std::map< OpenBabel::OBBond *,enum OpenBabel::OBStereo::BondDirection,std::less< OpenBabel::OBBond * >,std::allocator< std::pair< OpenBabel::OBBond *const,enum OpenBabel::OBStereo::BondDirection > > > *", 0, 0, (void*)0, 0};
39595 static swig_type_info _swigt__p_std__mapT_OpenBabel__OBBond_p_unsigned_long_std__lessT_OpenBabel__OBBond_p_t_std__allocatorT_std__pairT_OpenBabel__OBBond_pconst_unsigned_long_t_t_t = {"_p_std__mapT_OpenBabel__OBBond_p_unsigned_long_std__lessT_OpenBabel__OBBond_p_t_std__allocatorT_std__pairT_OpenBabel__OBBond_pconst_unsigned_long_t_t_t", "std::map< OpenBabel::OBBond *,unsigned long,std::less< OpenBabel::OBBond * >,std::allocator< std::pair< OpenBabel::OBBond *const,unsigned long > > > *|std::map< OpenBabel::OBBond *,OpenBabel::OBStereo::Ref,std::less< OpenBabel::OBBond * >,std::allocator< std::pair< OpenBabel::OBBond *const,OpenBabel::OBStereo::Ref > > > *", 0, 0, (void*)0, 0};
39596 static swig_type_info _swigt__p_std__mapT_char_const_p_OpenBabel__OBPlugin_p_OpenBabel__CharPtrLess_std__allocatorT_std__pairT_char_const_pconst_OpenBabel__OBPlugin_p_t_t_t = {"_p_std__mapT_char_const_p_OpenBabel__OBPlugin_p_OpenBabel__CharPtrLess_std__allocatorT_std__pairT_char_const_pconst_OpenBabel__OBPlugin_p_t_t_t", "OpenBabel::OBPlugin::PluginMapType *|std::map< char const *,OpenBabel::OBPlugin *,OpenBabel::CharPtrLess,std::allocator< std::pair< char const *const,OpenBabel::OBPlugin * > > > *", 0, 0, (void*)0, 0};
39597 static swig_type_info _swigt__p_std__mapT_int_OpenBabel__OBAtom_p_std__lessT_int_t_std__allocatorT_std__pairT_int_const_OpenBabel__OBAtom_p_t_t_t = {"_p_std__mapT_int_OpenBabel__OBAtom_p_std__lessT_int_t_std__allocatorT_std__pairT_int_const_OpenBabel__OBAtom_p_t_t_t", "std::map< int,OpenBabel::OBAtom *,std::less< int >,std::allocator< std::pair< int const,OpenBabel::OBAtom * > > > *", 0, 0, (void*)0, 0};
39598 static swig_type_info _swigt__p_std__mapT_std__string_std__string_std__lessT_std__string_t_std__allocatorT_std__pairT_std__string_const_std__string_t_t_t = {"_p_std__mapT_std__string_std__string_std__lessT_std__string_t_std__allocatorT_std__pairT_std__string_const_std__string_t_t_t", "std::map< std::string,std::string,std::less< std::string >,std::allocator< std::pair< std::string const,std::string > > > *|OpenBabel::OBOp::OpMap *", 0, 0, (void*)0, 0};
39599 static swig_type_info _swigt__p_std__mapT_std__vectorT_int_std__allocatorT_int_t_t_double_std__lessT_std__vectorT_int_t_t_std__allocatorT_std__pairT_std__vectorT_int_std__allocatorT_int_t_t_const_double_t_t_t = {"_p_std__mapT_std__vectorT_int_std__allocatorT_int_t_t_double_std__lessT_std__vectorT_int_t_t_std__allocatorT_std__pairT_std__vectorT_int_std__allocatorT_int_t_t_const_double_t_t_t", "OpenBabel::mapRotorEnergy *|std::map< std::vector< int,std::allocator< int > >,double,std::less< std::vector< int,std::allocator< int > > >,std::allocator< std::pair< std::vector< int,std::allocator< int > > const,double > > > *|std::map< std::vector< int,std::allocator< int > >,double,std::less< std::vector< int > >,std::allocator< std::pair< std::vector< int,std::allocator< int > > const,double > > > *", 0, 0, (void*)0, 0};
39600 static swig_type_info _swigt__p_std__multimapT_double_unsigned_int_t = {"_p_std__multimapT_double_unsigned_int_t", "std::multimap< double,unsigned int > *", 0, 0, (void*)0, 0};
39601 static swig_type_info _swigt__p_std__ostream = {"_p_std__ostream", "std::ostream *", 0, 0, (void*)0, 0};
39602 static swig_type_info _swigt__p_std__ostringstream = {"_p_std__ostringstream", "std::ostringstream *", 0, 0, (void*)0, 0};
39603 static swig_type_info _swigt__p_std__pairT_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t = {"_p_std__pairT_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t", "std::pair< OpenBabel::OBAtom *,OpenBabel::OBAtom * > *", 0, 0, (void*)0, 0};
39604 static swig_type_info _swigt__p_std__pairT_int_int_t = {"_p_std__pairT_int_int_t", "std::pair< int,int > *", 0, 0, (void*)0, 0};
39605 static swig_type_info _swigt__p_std__pairT_std__string_std__string_t = {"_p_std__pairT_std__string_std__string_t", "std::pair< std::string,std::string > *", 0, 0, (void*)0, 0};
39606 static swig_type_info _swigt__p_std__pairT_unsigned_int_unsigned_int_t = {"_p_std__pairT_unsigned_int_unsigned_int_t", "std::pair< unsigned int,unsigned int > *", 0, 0, (void*)0, 0};
39607 static swig_type_info _swigt__p_std__setT_OpenBabel__OBBond_p_t = {"_p_std__setT_OpenBabel__OBBond_p_t", "std::set< OpenBabel::OBBond * > *", 0, 0, (void*)0, 0};
39608 static swig_type_info _swigt__p_std__streampos = {"_p_std__streampos", "std::streampos *", 0, 0, (void*)0, 0};
39609 static swig_type_info _swigt__p_std__string = {"_p_std__string", "std::string *", 0, 0, (void*)0, 0};
39610 static swig_type_info _swigt__p_std__stringbuf = {"_p_std__stringbuf", "std::stringbuf *", 0, 0, (void*)0, 0};
39611 static swig_type_info _swigt__p_std__type_info = {"_p_std__type_info", "std::type_info *", 0, 0, (void*)0, 0};
39612 static swig_type_info _swigt__p_std__vectorT_OpenBabel__OBAtom_p_std__allocatorT_OpenBabel__OBAtom_p_t_t = {"_p_std__vectorT_OpenBabel__OBAtom_p_std__allocatorT_OpenBabel__OBAtom_p_t_t", "std::vector< OpenBabel::OBAtom *,std::allocator< OpenBabel::OBAtom * > > *", 0, 0, (void*)0, 0};
39613 static swig_type_info _swigt__p_std__vectorT_OpenBabel__OBAtom_p_std__allocatorT_OpenBabel__OBAtom_p_t_t__iterator = {"_p_std__vectorT_OpenBabel__OBAtom_p_std__allocatorT_OpenBabel__OBAtom_p_t_t__iterator", "std::vector< OpenBabel::OBAtom *,std::allocator< OpenBabel::OBAtom * > >::iterator *|OpenBabel::OBAtomIterator *", 0, 0, (void*)0, 0};
39614 static swig_type_info _swigt__p_std__vectorT_OpenBabel__OBBase_p_std__allocatorT_OpenBabel__OBBase_p_t_t = {"_p_std__vectorT_OpenBabel__OBBase_p_std__allocatorT_OpenBabel__OBBase_p_t_t", "std::vector< OpenBabel::OBBase *,std::allocator< OpenBabel::OBBase * > > *", 0, 0, (void*)0, 0};
39615 static swig_type_info _swigt__p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t = {"_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t", "std::vector< OpenBabel::OBBond *,std::allocator< OpenBabel::OBBond * > > *", 0, 0, (void*)0, 0};
39616 static swig_type_info _swigt__p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator = {"_p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator", "std::vector< OpenBabel::OBBond *,std::allocator< OpenBabel::OBBond * > >::iterator *|OpenBabel::OBBondIterator *", 0, 0, (void*)0, 0};
39617 static swig_type_info _swigt__p_std__vectorT_OpenBabel__OBBond_std__allocatorT_OpenBabel__OBBond_t_t = {"_p_std__vectorT_OpenBabel__OBBond_std__allocatorT_OpenBabel__OBBond_t_t", "std::vector< OpenBabel::OBBond,std::allocator< OpenBabel::OBBond > > *|std::vector< OpenBabel::OBBond > *", 0, 0, (void*)0, 0};
39618 static swig_type_info _swigt__p_std__vectorT_OpenBabel__OBCisTransStereo_p_std__allocatorT_OpenBabel__OBCisTransStereo_p_t_t = {"_p_std__vectorT_OpenBabel__OBCisTransStereo_p_std__allocatorT_OpenBabel__OBCisTransStereo_p_t_t", "std::vector< OpenBabel::OBCisTransStereo *,std::allocator< OpenBabel::OBCisTransStereo * > > *", 0, 0, (void*)0, 0};
39619 static swig_type_info _swigt__p_std__vectorT_OpenBabel__OBConformerFilter_p_std__allocatorT_OpenBabel__OBConformerFilter_p_t_t = {"_p_std__vectorT_OpenBabel__OBConformerFilter_p_std__allocatorT_OpenBabel__OBConformerFilter_p_t_t", "std::vector< OpenBabel::OBConformerFilter *,std::allocator< OpenBabel::OBConformerFilter * > > *", 0, 0, (void*)0, 0};
39620 static swig_type_info _swigt__p_std__vectorT_OpenBabel__OBExternalBond_std__allocatorT_OpenBabel__OBExternalBond_t_t = {"_p_std__vectorT_OpenBabel__OBExternalBond_std__allocatorT_OpenBabel__OBExternalBond_t_t", "std::vector< OpenBabel::OBExternalBond,std::allocator< OpenBabel::OBExternalBond > > *", 0, 0, (void*)0, 0};
39621 static swig_type_info _swigt__p_std__vectorT_OpenBabel__OBFreeGridPoint_p_std__allocatorT_OpenBabel__OBFreeGridPoint_p_t_t__iterator = {"_p_std__vectorT_OpenBabel__OBFreeGridPoint_p_std__allocatorT_OpenBabel__OBFreeGridPoint_p_t_t__iterator", "OpenBabel::OBFreeGridPointIterator *|std::vector< OpenBabel::OBFreeGridPoint *,std::allocator< OpenBabel::OBFreeGridPoint * > >::iterator *", 0, 0, (void*)0, 0};
39622 static swig_type_info _swigt__p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t = {"_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t", "std::vector< OpenBabel::OBGenericData * > *|std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > > *", 0, 0, (void*)0, 0};
39623 static swig_type_info _swigt__p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t__iterator = {"_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t__iterator", "OpenBabel::OBDataIterator *|std::vector< OpenBabel::OBGenericData *,std::allocator< OpenBabel::OBGenericData * > >::iterator *", 0, 0, (void*)0, 0};
39624 static swig_type_info _swigt__p_std__vectorT_OpenBabel__OBInternalCoord_p_std__allocatorT_OpenBabel__OBInternalCoord_p_t_t = {"_p_std__vectorT_OpenBabel__OBInternalCoord_p_std__allocatorT_OpenBabel__OBInternalCoord_p_t_t", "std::vector< OpenBabel::OBInternalCoord *,std::allocator< OpenBabel::OBInternalCoord * > > *|std::vector< OpenBabel::OBInternalCoord * > *", 0, 0, (void*)0, 0};
39625 static swig_type_info _swigt__p_std__vectorT_OpenBabel__OBInternalCoord_p_std__allocatorT_OpenBabel__OBInternalCoord_p_t_t__iterator = {"_p_std__vectorT_OpenBabel__OBInternalCoord_p_std__allocatorT_OpenBabel__OBInternalCoord_p_t_t__iterator", "std::vector< OpenBabel::OBInternalCoord *,std::allocator< OpenBabel::OBInternalCoord * > >::iterator *", 0, 0, (void*)0, 0};
39626 static swig_type_info _swigt__p_std__vectorT_OpenBabel__OBMol_std__allocatorT_OpenBabel__OBMol_t_t = {"_p_std__vectorT_OpenBabel__OBMol_std__allocatorT_OpenBabel__OBMol_t_t", "std::vector< OpenBabel::OBMol,std::allocator< OpenBabel::OBMol > > *|std::vector< OpenBabel::OBMol > *", 0, 0, (void*)0, 0};
39627 static swig_type_info _swigt__p_std__vectorT_OpenBabel__OBOrbital_std__allocatorT_OpenBabel__OBOrbital_t_t = {"_p_std__vectorT_OpenBabel__OBOrbital_std__allocatorT_OpenBabel__OBOrbital_t_t", "std::vector< OpenBabel::OBOrbital,std::allocator< OpenBabel::OBOrbital > > *", 0, 0, (void*)0, 0};
39628 static swig_type_info _swigt__p_std__vectorT_OpenBabel__OBQueryAtom_p_std__allocatorT_OpenBabel__OBQueryAtom_p_t_t = {"_p_std__vectorT_OpenBabel__OBQueryAtom_p_std__allocatorT_OpenBabel__OBQueryAtom_p_t_t", "std::vector< OpenBabel::OBQueryAtom *,std::allocator< OpenBabel::OBQueryAtom * > > *", 0, 0, (void*)0, 0};
39629 static swig_type_info _swigt__p_std__vectorT_OpenBabel__OBQueryBond_p_std__allocatorT_OpenBabel__OBQueryBond_p_t_t = {"_p_std__vectorT_OpenBabel__OBQueryBond_p_std__allocatorT_OpenBabel__OBQueryBond_p_t_t", "std::vector< OpenBabel::OBQueryBond *,std::allocator< OpenBabel::OBQueryBond * > > *", 0, 0, (void*)0, 0};
39630 static swig_type_info _swigt__p_std__vectorT_OpenBabel__OBResidue_p_std__allocatorT_OpenBabel__OBResidue_p_t_t__iterator = {"_p_std__vectorT_OpenBabel__OBResidue_p_std__allocatorT_OpenBabel__OBResidue_p_t_t__iterator", "OpenBabel::OBResidueIterator *|std::vector< OpenBabel::OBResidue *,std::allocator< OpenBabel::OBResidue * > >::iterator *", 0, 0, (void*)0, 0};
39631 static swig_type_info _swigt__p_std__vectorT_OpenBabel__OBResidue_std__allocatorT_OpenBabel__OBResidue_t_t = {"_p_std__vectorT_OpenBabel__OBResidue_std__allocatorT_OpenBabel__OBResidue_t_t", "std::vector< OpenBabel::OBResidue > *|std::vector< OpenBabel::OBResidue,std::allocator< OpenBabel::OBResidue > > *", 0, 0, (void*)0, 0};
39632 static swig_type_info _swigt__p_std__vectorT_OpenBabel__OBRing_p_std__allocatorT_OpenBabel__OBRing_p_t_t = {"_p_std__vectorT_OpenBabel__OBRing_p_std__allocatorT_OpenBabel__OBRing_p_t_t", "std::vector< OpenBabel::OBRing *,std::allocator< OpenBabel::OBRing * > > *|std::vector< OpenBabel::OBRing * > *", 0, 0, (void*)0, 0};
39633 static swig_type_info _swigt__p_std__vectorT_OpenBabel__OBRing_p_std__allocatorT_OpenBabel__OBRing_p_t_t__iterator = {"_p_std__vectorT_OpenBabel__OBRing_p_std__allocatorT_OpenBabel__OBRing_p_t_t__iterator", "std::vector< OpenBabel::OBRing *,std::allocator< OpenBabel::OBRing * > >::iterator *", 0, 0, (void*)0, 0};
39634 static swig_type_info _swigt__p_std__vectorT_OpenBabel__OBRing_std__allocatorT_OpenBabel__OBRing_t_t = {"_p_std__vectorT_OpenBabel__OBRing_std__allocatorT_OpenBabel__OBRing_t_t", "std::vector< OpenBabel::OBRing,std::allocator< OpenBabel::OBRing > > *|std::vector< OpenBabel::OBRing > *", 0, 0, (void*)0, 0};
39635 static swig_type_info _swigt__p_std__vectorT_OpenBabel__OBRotor_p_std__allocatorT_OpenBabel__OBRotor_p_t_t__iterator = {"_p_std__vectorT_OpenBabel__OBRotor_p_std__allocatorT_OpenBabel__OBRotor_p_t_t__iterator", "OpenBabel::OBRotorIterator *|std::vector< OpenBabel::OBRotor *,std::allocator< OpenBabel::OBRotor * > >::iterator *", 0, 0, (void*)0, 0};
39636 static swig_type_info _swigt__p_std__vectorT_OpenBabel__OBStereoUnit_std__allocatorT_OpenBabel__OBStereoUnit_t_t = {"_p_std__vectorT_OpenBabel__OBStereoUnit_std__allocatorT_OpenBabel__OBStereoUnit_t_t", "std::vector< OpenBabel::OBStereoUnit,std::allocator< OpenBabel::OBStereoUnit > > *|OpenBabel::OBStereoUnitSet *", 0, 0, (void*)0, 0};
39637 static swig_type_info _swigt__p_std__vectorT_OpenBabel__OBTetrahedralStereo_p_std__allocatorT_OpenBabel__OBTetrahedralStereo_p_t_t = {"_p_std__vectorT_OpenBabel__OBTetrahedralStereo_p_std__allocatorT_OpenBabel__OBTetrahedralStereo_p_t_t", "std::vector< OpenBabel::OBTetrahedralStereo *,std::allocator< OpenBabel::OBTetrahedralStereo * > > *", 0, 0, (void*)0, 0};
39638 static swig_type_info _swigt__p_std__vectorT_OpenBabel__OBTorsion_std__allocatorT_OpenBabel__OBTorsion_t_t = {"_p_std__vectorT_OpenBabel__OBTorsion_std__allocatorT_OpenBabel__OBTorsion_t_t", "std::vector< OpenBabel::OBTorsion,std::allocator< OpenBabel::OBTorsion > > *", 0, 0, (void*)0, 0};
39639 static swig_type_info _swigt__p_std__vectorT_OpenBabel__tripleT_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_double_t_std__allocatorT_OpenBabel__tripleT_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_double_t_t_t = {"_p_std__vectorT_OpenBabel__tripleT_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_double_t_std__allocatorT_OpenBabel__tripleT_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_double_t_t_t", "std::vector< OpenBabel::triple< OpenBabel::OBAtom *,OpenBabel::OBAtom *,double >,std::allocator< OpenBabel::triple< OpenBabel::OBAtom *,OpenBabel::OBAtom *,double > > > *", 0, 0, (void*)0, 0};
39640 static swig_type_info _swigt__p_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t = {"_p_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t", "std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > *|std::vector< OpenBabel::vector3 > *", 0, 0, (void*)0, 0};
39641 static swig_type_info _swigt__p_std__vectorT_double_p_std__allocatorT_double_p_t_t = {"_p_std__vectorT_double_p_std__allocatorT_double_p_t_t", "std::vector< double *,std::allocator< double * > > *", 0, 0, (void*)0, 0};
39642 static swig_type_info _swigt__p_std__vectorT_double_p_std__allocatorT_double_p_t_t__iterator = {"_p_std__vectorT_double_p_std__allocatorT_double_p_t_t__iterator", "std::vector< double *,std::allocator< double * > >::iterator *", 0, 0, (void*)0, 0};
39643 static swig_type_info _swigt__p_std__vectorT_double_std__allocatorT_double_t_t = {"_p_std__vectorT_double_std__allocatorT_double_t_t", "std::vector< double,std::allocator< double > > *|std::vector< double > *", 0, 0, (void*)0, 0};
39644 static swig_type_info _swigt__p_std__vectorT_double_std__allocatorT_double_t_t__iterator = {"_p_std__vectorT_double_std__allocatorT_double_t_t__iterator", "std::vector< double,std::allocator< double > >::iterator *", 0, 0, (void*)0, 0};
39645 static swig_type_info _swigt__p_std__vectorT_int_std__allocatorT_int_t_t = {"_p_std__vectorT_int_std__allocatorT_int_t_t", "std::vector< int,std::allocator< int > > *|OpenBabel::RotorKey *|std::vector< int > *", 0, 0, (void*)0, 0};
39646 static swig_type_info _swigt__p_std__vectorT_std__pairT_int_int_t_std__allocatorT_std__pairT_int_int_t_t_t = {"_p_std__vectorT_std__pairT_int_int_t_std__allocatorT_std__pairT_int_int_t_t_t", "std::vector< std::pair< int,int >,std::allocator< std::pair< int,int > > > *", 0, 0, (void*)0, 0};
39647 static swig_type_info _swigt__p_std__vectorT_std__pairT_std__string_std__string_t_std__allocatorT_std__pairT_std__string_std__string_t_t_t = {"_p_std__vectorT_std__pairT_std__string_std__string_t_std__allocatorT_std__pairT_std__string_std__string_t_t_t", "std::vector< std::pair< std::string,std::string >,std::allocator< std::pair< std::string,std::string > > > *", 0, 0, (void*)0, 0};
39648 static swig_type_info _swigt__p_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t = {"_p_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t", "OpenBabel::OBIsomorphismMapper::Mapping *|OpenBabel::Automorphism *|std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > *|std::vector< std::pair< unsigned int,unsigned int > > *", 0, 0, (void*)0, 0};
39649 static swig_type_info _swigt__p_std__vectorT_std__string_std__allocatorT_std__string_t_t = {"_p_std__vectorT_std__string_std__allocatorT_std__string_t_t", "std::vector< std::string,std::allocator< std::string > > *|std::vector< std::string > *", 0, 0, (void*)0, 0};
39650 static swig_type_info _swigt__p_std__vectorT_std__vectorT_OpenBabel__OBStereoUnit_std__allocatorT_OpenBabel__OBStereoUnit_t_t_std__allocatorT_std__vectorT_OpenBabel__OBStereoUnit_std__allocatorT_OpenBabel__OBStereoUnit_t_t_t_t = {"_p_std__vectorT_std__vectorT_OpenBabel__OBStereoUnit_std__allocatorT_OpenBabel__OBStereoUnit_t_t_std__allocatorT_std__vectorT_OpenBabel__OBStereoUnit_std__allocatorT_OpenBabel__OBStereoUnit_t_t_t_t", "std::vector< std::vector< OpenBabel::OBStereoUnit,std::allocator< OpenBabel::OBStereoUnit > >,std::allocator< std::vector< OpenBabel::OBStereoUnit,std::allocator< OpenBabel::OBStereoUnit > > > > *|OpenBabel::OBStereoUnitSetOfSets *", 0, 0, (void*)0, 0};
39651 static swig_type_info _swigt__p_std__vectorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_std__allocatorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_t_t = {"_p_std__vectorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_std__allocatorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_t_t", "std::vector< std::vector< OpenBabel::vector3 > > *|std::vector< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > >,std::allocator< std::vector< OpenBabel::vector3,std::allocator< OpenBabel::vector3 > > > > *", 0, 0, (void*)0, 0};
39652 static swig_type_info _swigt__p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t = {"_p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t", "std::vector< std::vector< int > > *|OpenBabel::RotorKeys *|std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > > *", 0, 0, (void*)0, 0};
39653 static swig_type_info _swigt__p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t__iterator = {"_p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t__iterator", "std::vector< std::vector< int,std::allocator< int > >,std::allocator< std::vector< int,std::allocator< int > > > >::iterator *", 0, 0, (void*)0, 0};
39654 static swig_type_info _swigt__p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t = {"_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t", "OpenBabel::Automorphisms *|std::vector< std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > >,std::allocator< std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > > > *|std::vector< OpenBabel::OBIsomorphismMapper::Mapping,std::allocator< OpenBabel::OBIsomorphismMapper::Mapping > > *|OpenBabel::OBIsomorphismMapper::Mappings *|std::vector< std::vector< std::pair< unsigned int,unsigned int > > > *|std::vector< std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > > *", 0, 0, (void*)0, 0};
39655 static swig_type_info _swigt__p_std__vectorT_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t_std__allocatorT_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t_t_t = {"_p_std__vectorT_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t_std__allocatorT_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t_t_t", "std::vector< std::vector< unsigned int,std::allocator< unsigned int > >,std::allocator< std::vector< unsigned int,std::allocator< unsigned int > > > > *", 0, 0, (void*)0, 0};
39656 static swig_type_info _swigt__p_std__vectorT_uint32_t_std__allocatorT_uint32_t_t_t = {"_p_std__vectorT_uint32_t_std__allocatorT_uint32_t_t_t", "std::vector< uint32_t,std::allocator< uint32_t > > *|OpenBabel::OBBitVec::word_vector *", 0, 0, (void*)0, 0};
39657 static swig_type_info _swigt__p_std__vectorT_unsigned_char_p_std__allocatorT_unsigned_char_p_t_t__iterator = {"_p_std__vectorT_unsigned_char_p_std__allocatorT_unsigned_char_p_t_t__iterator", "std::vector< unsigned char *,std::allocator< unsigned char * > >::iterator *", 0, 0, (void*)0, 0};
39658 static swig_type_info _swigt__p_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t = {"_p_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t", "std::vector< unsigned int,std::allocator< unsigned int > > *|std::vector< unsigned int > *", 0, 0, (void*)0, 0};
39659 static swig_type_info _swigt__p_std__vectorT_unsigned_long_std__allocatorT_unsigned_long_t_t = {"_p_std__vectorT_unsigned_long_std__allocatorT_unsigned_long_t_t", "std::vector< unsigned long,std::allocator< unsigned long > > *|OpenBabel::OBStereo::Refs *", 0, 0, (void*)0, 0};
39660 static swig_type_info _swigt__p_std__vectorT_unsigned_short_std__allocatorT_unsigned_short_t_t = {"_p_std__vectorT_unsigned_short_std__allocatorT_unsigned_short_t_t", "std::vector< unsigned short,std::allocator< unsigned short > > *", 0, 0, (void*)0, 0};
39661 static swig_type_info _swigt__p_stringp = {"_p_stringp", "stringp *", 0, 0, (void*)0, 0};
39662 static swig_type_info _swigt__p_unsigned_int = {"_p_unsigned_int", "unsigned int *", 0, 0, (void*)0, 0};
39663 static swig_type_info _swigt__p_value_type = {"_p_value_type", "value_type *", 0, 0, (void*)0, 0};
39664 static swig_type_info _swigt__p_void = {"_p_void", "void *", 0, 0, (void*)0, 0};
39665 static swig_type_info _swigt__p_word_vector = {"_p_word_vector", "word_vector *", 0, 0, (void*)0, 0};
39666 
39667 static swig_type_info *swig_type_initial[] = {
39668   &_swigt__p_ConstRefIter,
39669   &_swigt__p_Mapping,
39670   &_swigt__p_Mappings,
39671   &_swigt__p_OpMap,
39672   &_swigt__p_OpenBabel__AliasData,
39673   &_swigt__p_OpenBabel__CharPtrLess,
39674   &_swigt__p_OpenBabel__DoubleType,
39675   &_swigt__p_OpenBabel__FastSearch,
39676   &_swigt__p_OpenBabel__FastSearchIndexer,
39677   &_swigt__p_OpenBabel__FptIndex,
39678   &_swigt__p_OpenBabel__FptIndexHeader,
39679   &_swigt__p_OpenBabel__LineSearchType,
39680   &_swigt__p_OpenBabel__OBAlign,
39681   &_swigt__p_OpenBabel__OBAngle,
39682   &_swigt__p_OpenBabel__OBAngleData,
39683   &_swigt__p_OpenBabel__OBAromaticTyper,
39684   &_swigt__p_OpenBabel__OBAtom,
39685   &_swigt__p_OpenBabel__OBAtomAtomIter,
39686   &_swigt__p_OpenBabel__OBAtomBondIter,
39687   &_swigt__p_OpenBabel__OBAtomClassData,
39688   &_swigt__p_OpenBabel__OBAtomHOF,
39689   &_swigt__p_OpenBabel__OBAtomTyper,
39690   &_swigt__p_OpenBabel__OBAtomicHeatOfFormationTable,
39691   &_swigt__p_OpenBabel__OBBase,
39692   &_swigt__p_OpenBabel__OBBitVec,
39693   &_swigt__p_OpenBabel__OBBond,
39694   &_swigt__p_OpenBabel__OBBuilder,
39695   &_swigt__p_OpenBabel__OBChainsParser,
39696   &_swigt__p_OpenBabel__OBChargeModel,
39697   &_swigt__p_OpenBabel__OBChiralData,
39698   &_swigt__p_OpenBabel__OBCisTransConfig,
39699   &_swigt__p_OpenBabel__OBCisTransStereo,
39700   &_swigt__p_OpenBabel__OBCommentData,
39701   &_swigt__p_OpenBabel__OBConformerData,
39702   &_swigt__p_OpenBabel__OBConformerFilter,
39703   &_swigt__p_OpenBabel__OBConformerFilters,
39704   &_swigt__p_OpenBabel__OBConformerScore,
39705   &_swigt__p_OpenBabel__OBConformerSearch,
39706   &_swigt__p_OpenBabel__OBConversion,
39707   &_swigt__p_OpenBabel__OBDOSData,
39708   &_swigt__p_OpenBabel__OBDescriptor,
39709   &_swigt__p_OpenBabel__OBElectronicTransitionData,
39710   &_swigt__p_OpenBabel__OBElement,
39711   &_swigt__p_OpenBabel__OBElementTable,
39712   &_swigt__p_OpenBabel__OBEnergyConformerScore,
39713   &_swigt__p_OpenBabel__OBError,
39714   &_swigt__p_OpenBabel__OBExternalBond,
39715   &_swigt__p_OpenBabel__OBExternalBondData,
39716   &_swigt__p_OpenBabel__OBFFCalculation2,
39717   &_swigt__p_OpenBabel__OBFFCalculation3,
39718   &_swigt__p_OpenBabel__OBFFCalculation4,
39719   &_swigt__p_OpenBabel__OBFFConstraint,
39720   &_swigt__p_OpenBabel__OBFFConstraints,
39721   &_swigt__p_OpenBabel__OBFFParameter,
39722   &_swigt__p_OpenBabel__OBFingerprint,
39723   &_swigt__p_OpenBabel__OBForceField,
39724   &_swigt__p_OpenBabel__OBFormat,
39725   &_swigt__p_OpenBabel__OBFreeGrid,
39726   &_swigt__p_OpenBabel__OBFreeGridPoint,
39727   &_swigt__p_OpenBabel__OBGenericData,
39728   &_swigt__p_OpenBabel__OBGlobalDataBase,
39729   &_swigt__p_OpenBabel__OBGraphSym,
39730   &_swigt__p_OpenBabel__OBGridData,
39731   &_swigt__p_OpenBabel__OBInternalCoord,
39732   &_swigt__p_OpenBabel__OBIsomorphismMapper,
39733   &_swigt__p_OpenBabel__OBIsomorphismMapper__Functor,
39734   &_swigt__p_OpenBabel__OBIsotopeTable,
39735   &_swigt__p_OpenBabel__OBMatrixData,
39736   &_swigt__p_OpenBabel__OBMessageHandler,
39737   &_swigt__p_OpenBabel__OBMinimizingEnergyConformerScore,
39738   &_swigt__p_OpenBabel__OBMinimizingRMSDConformerScore,
39739   &_swigt__p_OpenBabel__OBMol,
39740   &_swigt__p_OpenBabel__OBMolAngleIter,
39741   &_swigt__p_OpenBabel__OBMolAtomBFSIter,
39742   &_swigt__p_OpenBabel__OBMolAtomDFSIter,
39743   &_swigt__p_OpenBabel__OBMolAtomIter,
39744   &_swigt__p_OpenBabel__OBMolBondBFSIter,
39745   &_swigt__p_OpenBabel__OBMolBondIter,
39746   &_swigt__p_OpenBabel__OBMolPairIter,
39747   &_swigt__p_OpenBabel__OBMolRingIter,
39748   &_swigt__p_OpenBabel__OBMolTorsionIter,
39749   &_swigt__p_OpenBabel__OBNasaThermoData,
39750   &_swigt__p_OpenBabel__OBOp,
39751   &_swigt__p_OpenBabel__OBOrbital,
39752   &_swigt__p_OpenBabel__OBOrbitalData,
39753   &_swigt__p_OpenBabel__OBPairData,
39754   &_swigt__p_OpenBabel__OBPairTemplateT_bool_t,
39755   &_swigt__p_OpenBabel__OBPairTemplateT_double_t,
39756   &_swigt__p_OpenBabel__OBPairTemplateT_int_t,
39757   &_swigt__p_OpenBabel__OBPlugin,
39758   &_swigt__p_OpenBabel__OBPlugin__PluginMapType__const_iterator,
39759   &_swigt__p_OpenBabel__OBQuery,
39760   &_swigt__p_OpenBabel__OBQueryAtom,
39761   &_swigt__p_OpenBabel__OBQueryBond,
39762   &_swigt__p_OpenBabel__OBRMSDConformerScore,
39763   &_swigt__p_OpenBabel__OBRTree,
39764   &_swigt__p_OpenBabel__OBRandom,
39765   &_swigt__p_OpenBabel__OBRateData,
39766   &_swigt__p_OpenBabel__OBReaction,
39767   &_swigt__p_OpenBabel__OBResidue,
39768   &_swigt__p_OpenBabel__OBResidueAtomIter,
39769   &_swigt__p_OpenBabel__OBResidueData,
39770   &_swigt__p_OpenBabel__OBResidueIter,
39771   &_swigt__p_OpenBabel__OBRing,
39772   &_swigt__p_OpenBabel__OBRingData,
39773   &_swigt__p_OpenBabel__OBRingSearch,
39774   &_swigt__p_OpenBabel__OBRingTyper,
39775   &_swigt__p_OpenBabel__OBRotamerList,
39776   &_swigt__p_OpenBabel__OBRotationData,
39777   &_swigt__p_OpenBabel__OBRotor,
39778   &_swigt__p_OpenBabel__OBRotorKeys,
39779   &_swigt__p_OpenBabel__OBRotorList,
39780   &_swigt__p_OpenBabel__OBRotorRule,
39781   &_swigt__p_OpenBabel__OBRotorRules,
39782   &_swigt__p_OpenBabel__OBSSMatch,
39783   &_swigt__p_OpenBabel__OBSerialNums,
39784   &_swigt__p_OpenBabel__OBSetData,
39785   &_swigt__p_OpenBabel__OBSmartsMatcher,
39786   &_swigt__p_OpenBabel__OBSmartsPattern,
39787   &_swigt__p_OpenBabel__OBSpectrophore,
39788   &_swigt__p_OpenBabel__OBSqrtTbl,
39789   &_swigt__p_OpenBabel__OBSquarePlanarConfig,
39790   &_swigt__p_OpenBabel__OBSquarePlanarStereo,
39791   &_swigt__p_OpenBabel__OBStereo,
39792   &_swigt__p_OpenBabel__OBStereoBase,
39793   &_swigt__p_OpenBabel__OBStereoFacade,
39794   &_swigt__p_OpenBabel__OBStereoUnit,
39795   &_swigt__p_OpenBabel__OBStericConformerFilter,
39796   &_swigt__p_OpenBabel__OBStopwatch,
39797   &_swigt__p_OpenBabel__OBSymmetryData,
39798   &_swigt__p_OpenBabel__OBTetraNonPlanarStereo,
39799   &_swigt__p_OpenBabel__OBTetraPlanarStereo,
39800   &_swigt__p_OpenBabel__OBTetrahedralConfig,
39801   &_swigt__p_OpenBabel__OBTetrahedralStereo,
39802   &_swigt__p_OpenBabel__OBTorsion,
39803   &_swigt__p_OpenBabel__OBTorsionData,
39804   &_swigt__p_OpenBabel__OBTypeTable,
39805   &_swigt__p_OpenBabel__OBUnitCell,
39806   &_swigt__p_OpenBabel__OBVectorData,
39807   &_swigt__p_OpenBabel__OBVibrationData,
39808   &_swigt__p_OpenBabel__OBVirtualBond,
39809   &_swigt__p_OpenBabel__Pattern,
39810   &_swigt__p_OpenBabel__SpaceGroup,
39811   &_swigt__p_OpenBabel__Template,
39812   &_swigt__p_OpenBabel__matrix3x3,
39813   &_swigt__p_OpenBabel__obLogBuf,
39814   &_swigt__p_OpenBabel__quadT_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t,
39815   &_swigt__p_OpenBabel__rotor_digit,
39816   &_swigt__p_OpenBabel__transform3d,
39817   &_swigt__p_OpenBabel__tripleT_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t,
39818   &_swigt__p_OpenBabel__vector3,
39819   &_swigt__p_PluginIterator,
39820   &_swigt__p_PluginMapType,
39821   &_swigt__p_Ref,
39822   &_swigt__p_RefIter,
39823   &_swigt__p_Refs,
39824   &_swigt__p_Unit,
39825   &_swigt__p_a_3__double,
39826   &_swigt__p_a_4__char,
39827   &_swigt__p_allocator_type,
39828   &_swigt__p_char,
39829   &_swigt__p_const_reference,
39830   &_swigt__p_difference_type,
39831   &_swigt__p_double,
39832   &_swigt__p_first_type,
39833   &_swigt__p_int,
39834   &_swigt__p_obsharedptrT_OpenBabel__OBMol_t,
39835   &_swigt__p_p_OpenBabel__OBChargeModel,
39836   &_swigt__p_p_OpenBabel__OBDescriptor,
39837   &_swigt__p_p_OpenBabel__OBFingerprint,
39838   &_swigt__p_p_OpenBabel__OBForceField,
39839   &_swigt__p_p_OpenBabel__OBFormat,
39840   &_swigt__p_p_OpenBabel__OBOp,
39841   &_swigt__p_p_double,
39842   &_swigt__p_p_int,
39843   &_swigt__p_reference,
39844   &_swigt__p_second_type,
39845   &_swigt__p_size_type,
39846   &_swigt__p_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t,
39847   &_swigt__p_std__binary_functionT_char_const_p_char_const_p_bool_t,
39848   &_swigt__p_std__dequeT_int_t,
39849   &_swigt__p_std__istream,
39850   &_swigt__p_std__listT_OpenBabel__transform3d_p_t__const_iterator,
39851   &_swigt__p_std__listT_OpenBabel__vector3_t,
39852   &_swigt__p_std__mapT_OpenBabel__OBBond_p_OpenBabel__OBStereo__BondDirection_std__lessT_OpenBabel__OBBond_p_t_std__allocatorT_std__pairT_OpenBabel__OBBond_pconst_OpenBabel__OBStereo__BondDirection_t_t_t,
39853   &_swigt__p_std__mapT_OpenBabel__OBBond_p_unsigned_long_std__lessT_OpenBabel__OBBond_p_t_std__allocatorT_std__pairT_OpenBabel__OBBond_pconst_unsigned_long_t_t_t,
39854   &_swigt__p_std__mapT_char_const_p_OpenBabel__OBPlugin_p_OpenBabel__CharPtrLess_std__allocatorT_std__pairT_char_const_pconst_OpenBabel__OBPlugin_p_t_t_t,
39855   &_swigt__p_std__mapT_int_OpenBabel__OBAtom_p_std__lessT_int_t_std__allocatorT_std__pairT_int_const_OpenBabel__OBAtom_p_t_t_t,
39856   &_swigt__p_std__mapT_std__string_std__string_std__lessT_std__string_t_std__allocatorT_std__pairT_std__string_const_std__string_t_t_t,
39857   &_swigt__p_std__mapT_std__vectorT_int_std__allocatorT_int_t_t_double_std__lessT_std__vectorT_int_t_t_std__allocatorT_std__pairT_std__vectorT_int_std__allocatorT_int_t_t_const_double_t_t_t,
39858   &_swigt__p_std__multimapT_double_unsigned_int_t,
39859   &_swigt__p_std__ostream,
39860   &_swigt__p_std__ostringstream,
39861   &_swigt__p_std__pairT_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t,
39862   &_swigt__p_std__pairT_int_int_t,
39863   &_swigt__p_std__pairT_std__string_std__string_t,
39864   &_swigt__p_std__pairT_unsigned_int_unsigned_int_t,
39865   &_swigt__p_std__setT_OpenBabel__OBBond_p_t,
39866   &_swigt__p_std__streampos,
39867   &_swigt__p_std__string,
39868   &_swigt__p_std__stringbuf,
39869   &_swigt__p_std__type_info,
39870   &_swigt__p_std__vectorT_OpenBabel__OBAtom_p_std__allocatorT_OpenBabel__OBAtom_p_t_t,
39871   &_swigt__p_std__vectorT_OpenBabel__OBAtom_p_std__allocatorT_OpenBabel__OBAtom_p_t_t__iterator,
39872   &_swigt__p_std__vectorT_OpenBabel__OBBase_p_std__allocatorT_OpenBabel__OBBase_p_t_t,
39873   &_swigt__p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t,
39874   &_swigt__p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator,
39875   &_swigt__p_std__vectorT_OpenBabel__OBBond_std__allocatorT_OpenBabel__OBBond_t_t,
39876   &_swigt__p_std__vectorT_OpenBabel__OBCisTransStereo_p_std__allocatorT_OpenBabel__OBCisTransStereo_p_t_t,
39877   &_swigt__p_std__vectorT_OpenBabel__OBConformerFilter_p_std__allocatorT_OpenBabel__OBConformerFilter_p_t_t,
39878   &_swigt__p_std__vectorT_OpenBabel__OBExternalBond_std__allocatorT_OpenBabel__OBExternalBond_t_t,
39879   &_swigt__p_std__vectorT_OpenBabel__OBFreeGridPoint_p_std__allocatorT_OpenBabel__OBFreeGridPoint_p_t_t__iterator,
39880   &_swigt__p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t,
39881   &_swigt__p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t__iterator,
39882   &_swigt__p_std__vectorT_OpenBabel__OBInternalCoord_p_std__allocatorT_OpenBabel__OBInternalCoord_p_t_t,
39883   &_swigt__p_std__vectorT_OpenBabel__OBInternalCoord_p_std__allocatorT_OpenBabel__OBInternalCoord_p_t_t__iterator,
39884   &_swigt__p_std__vectorT_OpenBabel__OBMol_std__allocatorT_OpenBabel__OBMol_t_t,
39885   &_swigt__p_std__vectorT_OpenBabel__OBOrbital_std__allocatorT_OpenBabel__OBOrbital_t_t,
39886   &_swigt__p_std__vectorT_OpenBabel__OBQueryAtom_p_std__allocatorT_OpenBabel__OBQueryAtom_p_t_t,
39887   &_swigt__p_std__vectorT_OpenBabel__OBQueryBond_p_std__allocatorT_OpenBabel__OBQueryBond_p_t_t,
39888   &_swigt__p_std__vectorT_OpenBabel__OBResidue_p_std__allocatorT_OpenBabel__OBResidue_p_t_t__iterator,
39889   &_swigt__p_std__vectorT_OpenBabel__OBResidue_std__allocatorT_OpenBabel__OBResidue_t_t,
39890   &_swigt__p_std__vectorT_OpenBabel__OBRing_p_std__allocatorT_OpenBabel__OBRing_p_t_t,
39891   &_swigt__p_std__vectorT_OpenBabel__OBRing_p_std__allocatorT_OpenBabel__OBRing_p_t_t__iterator,
39892   &_swigt__p_std__vectorT_OpenBabel__OBRing_std__allocatorT_OpenBabel__OBRing_t_t,
39893   &_swigt__p_std__vectorT_OpenBabel__OBRotor_p_std__allocatorT_OpenBabel__OBRotor_p_t_t__iterator,
39894   &_swigt__p_std__vectorT_OpenBabel__OBStereoUnit_std__allocatorT_OpenBabel__OBStereoUnit_t_t,
39895   &_swigt__p_std__vectorT_OpenBabel__OBTetrahedralStereo_p_std__allocatorT_OpenBabel__OBTetrahedralStereo_p_t_t,
39896   &_swigt__p_std__vectorT_OpenBabel__OBTorsion_std__allocatorT_OpenBabel__OBTorsion_t_t,
39897   &_swigt__p_std__vectorT_OpenBabel__tripleT_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_double_t_std__allocatorT_OpenBabel__tripleT_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_double_t_t_t,
39898   &_swigt__p_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t,
39899   &_swigt__p_std__vectorT_double_p_std__allocatorT_double_p_t_t,
39900   &_swigt__p_std__vectorT_double_p_std__allocatorT_double_p_t_t__iterator,
39901   &_swigt__p_std__vectorT_double_std__allocatorT_double_t_t,
39902   &_swigt__p_std__vectorT_double_std__allocatorT_double_t_t__iterator,
39903   &_swigt__p_std__vectorT_int_std__allocatorT_int_t_t,
39904   &_swigt__p_std__vectorT_std__pairT_int_int_t_std__allocatorT_std__pairT_int_int_t_t_t,
39905   &_swigt__p_std__vectorT_std__pairT_std__string_std__string_t_std__allocatorT_std__pairT_std__string_std__string_t_t_t,
39906   &_swigt__p_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t,
39907   &_swigt__p_std__vectorT_std__string_std__allocatorT_std__string_t_t,
39908   &_swigt__p_std__vectorT_std__vectorT_OpenBabel__OBStereoUnit_std__allocatorT_OpenBabel__OBStereoUnit_t_t_std__allocatorT_std__vectorT_OpenBabel__OBStereoUnit_std__allocatorT_OpenBabel__OBStereoUnit_t_t_t_t,
39909   &_swigt__p_std__vectorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_std__allocatorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_t_t,
39910   &_swigt__p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t,
39911   &_swigt__p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t__iterator,
39912   &_swigt__p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t,
39913   &_swigt__p_std__vectorT_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t_std__allocatorT_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t_t_t,
39914   &_swigt__p_std__vectorT_uint32_t_std__allocatorT_uint32_t_t_t,
39915   &_swigt__p_std__vectorT_unsigned_char_p_std__allocatorT_unsigned_char_p_t_t__iterator,
39916   &_swigt__p_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t,
39917   &_swigt__p_std__vectorT_unsigned_long_std__allocatorT_unsigned_long_t_t,
39918   &_swigt__p_std__vectorT_unsigned_short_std__allocatorT_unsigned_short_t_t,
39919   &_swigt__p_stringp,
39920   &_swigt__p_unsigned_int,
39921   &_swigt__p_value_type,
39922   &_swigt__p_void,
39923   &_swigt__p_word_vector,
39924 };
39925 
39926 static swig_cast_info _swigc__p_ConstRefIter[] = {  {&_swigt__p_ConstRefIter, 0, 0, 0},{0, 0, 0, 0}};
39927 static swig_cast_info _swigc__p_Mapping[] = {  {&_swigt__p_Mapping, 0, 0, 0},{0, 0, 0, 0}};
39928 static swig_cast_info _swigc__p_Mappings[] = {  {&_swigt__p_Mappings, 0, 0, 0},{0, 0, 0, 0}};
39929 static swig_cast_info _swigc__p_OpMap[] = {  {&_swigt__p_OpMap, 0, 0, 0},{0, 0, 0, 0}};
39930 static swig_cast_info _swigc__p_OpenBabel__AliasData[] = {  {&_swigt__p_OpenBabel__AliasData, 0, 0, 0},{0, 0, 0, 0}};
39931 static swig_cast_info _swigc__p_OpenBabel__CharPtrLess[] = {  {&_swigt__p_OpenBabel__CharPtrLess, 0, 0, 0},{0, 0, 0, 0}};
39932 static swig_cast_info _swigc__p_OpenBabel__DoubleType[] = {  {&_swigt__p_OpenBabel__DoubleType, 0, 0, 0},{0, 0, 0, 0}};
39933 static swig_cast_info _swigc__p_OpenBabel__FastSearch[] = {  {&_swigt__p_OpenBabel__FastSearch, 0, 0, 0},{0, 0, 0, 0}};
39934 static swig_cast_info _swigc__p_OpenBabel__FastSearchIndexer[] = {  {&_swigt__p_OpenBabel__FastSearchIndexer, 0, 0, 0},{0, 0, 0, 0}};
39935 static swig_cast_info _swigc__p_OpenBabel__FptIndex[] = {  {&_swigt__p_OpenBabel__FptIndex, 0, 0, 0},{0, 0, 0, 0}};
39936 static swig_cast_info _swigc__p_OpenBabel__FptIndexHeader[] = {  {&_swigt__p_OpenBabel__FptIndexHeader, 0, 0, 0},{0, 0, 0, 0}};
39937 static swig_cast_info _swigc__p_OpenBabel__LineSearchType[] = {  {&_swigt__p_OpenBabel__LineSearchType, 0, 0, 0},{0, 0, 0, 0}};
39938 static swig_cast_info _swigc__p_OpenBabel__OBAlign[] = {  {&_swigt__p_OpenBabel__OBAlign, 0, 0, 0},{0, 0, 0, 0}};
39939 static swig_cast_info _swigc__p_OpenBabel__OBAngle[] = {  {&_swigt__p_OpenBabel__OBAngle, 0, 0, 0},{0, 0, 0, 0}};
39940 static swig_cast_info _swigc__p_OpenBabel__OBAngleData[] = {  {&_swigt__p_OpenBabel__OBAngleData, 0, 0, 0},{0, 0, 0, 0}};
39941 static swig_cast_info _swigc__p_OpenBabel__OBAromaticTyper[] = {  {&_swigt__p_OpenBabel__OBAromaticTyper, 0, 0, 0},{0, 0, 0, 0}};
39942 static swig_cast_info _swigc__p_OpenBabel__OBAtom[] = {  {&_swigt__p_OpenBabel__OBAtom, 0, 0, 0},{0, 0, 0, 0}};
39943 static swig_cast_info _swigc__p_OpenBabel__OBAtomAtomIter[] = {  {&_swigt__p_OpenBabel__OBAtomAtomIter, 0, 0, 0},{0, 0, 0, 0}};
39944 static swig_cast_info _swigc__p_OpenBabel__OBAtomBondIter[] = {  {&_swigt__p_OpenBabel__OBAtomBondIter, 0, 0, 0},{0, 0, 0, 0}};
39945 static swig_cast_info _swigc__p_OpenBabel__OBAtomClassData[] = {  {&_swigt__p_OpenBabel__OBAtomClassData, 0, 0, 0},{0, 0, 0, 0}};
39946 static swig_cast_info _swigc__p_OpenBabel__OBAtomHOF[] = {  {&_swigt__p_OpenBabel__OBAtomHOF, 0, 0, 0},{0, 0, 0, 0}};
39947 static swig_cast_info _swigc__p_OpenBabel__OBAtomTyper[] = {  {&_swigt__p_OpenBabel__OBAtomTyper, 0, 0, 0},{0, 0, 0, 0}};
39948 static swig_cast_info _swigc__p_OpenBabel__OBAtomicHeatOfFormationTable[] = {  {&_swigt__p_OpenBabel__OBAtomicHeatOfFormationTable, 0, 0, 0},{0, 0, 0, 0}};
39949 static swig_cast_info _swigc__p_OpenBabel__OBBase[] = {  {&_swigt__p_OpenBabel__OBMol, _p_OpenBabel__OBMolTo_p_OpenBabel__OBBase, 0, 0},  {&_swigt__p_OpenBabel__OBResidue, _p_OpenBabel__OBResidueTo_p_OpenBabel__OBBase, 0, 0},  {&_swigt__p_OpenBabel__OBBase, 0, 0, 0},  {&_swigt__p_OpenBabel__OBBond, _p_OpenBabel__OBBondTo_p_OpenBabel__OBBase, 0, 0},  {&_swigt__p_OpenBabel__OBAtom, _p_OpenBabel__OBAtomTo_p_OpenBabel__OBBase, 0, 0},  {&_swigt__p_OpenBabel__OBReaction, _p_OpenBabel__OBReactionTo_p_OpenBabel__OBBase, 0, 0},{0, 0, 0, 0}};
39950 static swig_cast_info _swigc__p_OpenBabel__OBBitVec[] = {  {&_swigt__p_OpenBabel__OBBitVec, 0, 0, 0},{0, 0, 0, 0}};
39951 static swig_cast_info _swigc__p_OpenBabel__OBBond[] = {  {&_swigt__p_OpenBabel__OBBond, 0, 0, 0},{0, 0, 0, 0}};
39952 static swig_cast_info _swigc__p_OpenBabel__OBBuilder[] = {  {&_swigt__p_OpenBabel__OBBuilder, 0, 0, 0},{0, 0, 0, 0}};
39953 static swig_cast_info _swigc__p_OpenBabel__OBChainsParser[] = {  {&_swigt__p_OpenBabel__OBChainsParser, 0, 0, 0},{0, 0, 0, 0}};
39954 static swig_cast_info _swigc__p_OpenBabel__OBChargeModel[] = {  {&_swigt__p_OpenBabel__OBChargeModel, 0, 0, 0},{0, 0, 0, 0}};
39955 static swig_cast_info _swigc__p_OpenBabel__OBChiralData[] = {  {&_swigt__p_OpenBabel__OBChiralData, 0, 0, 0},{0, 0, 0, 0}};
39956 static swig_cast_info _swigc__p_OpenBabel__OBCisTransConfig[] = {  {&_swigt__p_OpenBabel__OBCisTransConfig, 0, 0, 0},{0, 0, 0, 0}};
39957 static swig_cast_info _swigc__p_OpenBabel__OBCisTransStereo[] = {  {&_swigt__p_OpenBabel__OBCisTransStereo, 0, 0, 0},{0, 0, 0, 0}};
39958 static swig_cast_info _swigc__p_OpenBabel__OBCommentData[] = {  {&_swigt__p_OpenBabel__OBCommentData, 0, 0, 0},{0, 0, 0, 0}};
39959 static swig_cast_info _swigc__p_OpenBabel__OBConformerData[] = {  {&_swigt__p_OpenBabel__OBConformerData, 0, 0, 0},{0, 0, 0, 0}};
39960 static swig_cast_info _swigc__p_OpenBabel__OBConformerFilter[] = {  {&_swigt__p_OpenBabel__OBConformerFilter, 0, 0, 0},  {&_swigt__p_OpenBabel__OBStericConformerFilter, _p_OpenBabel__OBStericConformerFilterTo_p_OpenBabel__OBConformerFilter, 0, 0},  {&_swigt__p_OpenBabel__OBConformerFilters, _p_OpenBabel__OBConformerFiltersTo_p_OpenBabel__OBConformerFilter, 0, 0},{0, 0, 0, 0}};
39961 static swig_cast_info _swigc__p_OpenBabel__OBConformerFilters[] = {  {&_swigt__p_OpenBabel__OBConformerFilters, 0, 0, 0},{0, 0, 0, 0}};
39962 static swig_cast_info _swigc__p_OpenBabel__OBConformerScore[] = {  {&_swigt__p_OpenBabel__OBConformerScore, 0, 0, 0},  {&_swigt__p_OpenBabel__OBRMSDConformerScore, _p_OpenBabel__OBRMSDConformerScoreTo_p_OpenBabel__OBConformerScore, 0, 0},  {&_swigt__p_OpenBabel__OBEnergyConformerScore, _p_OpenBabel__OBEnergyConformerScoreTo_p_OpenBabel__OBConformerScore, 0, 0},  {&_swigt__p_OpenBabel__OBMinimizingEnergyConformerScore, _p_OpenBabel__OBMinimizingEnergyConformerScoreTo_p_OpenBabel__OBConformerScore, 0, 0},  {&_swigt__p_OpenBabel__OBMinimizingRMSDConformerScore, _p_OpenBabel__OBMinimizingRMSDConformerScoreTo_p_OpenBabel__OBConformerScore, 0, 0},{0, 0, 0, 0}};
39963 static swig_cast_info _swigc__p_OpenBabel__OBConformerSearch[] = {  {&_swigt__p_OpenBabel__OBConformerSearch, 0, 0, 0},{0, 0, 0, 0}};
39964 static swig_cast_info _swigc__p_OpenBabel__OBConversion[] = {  {&_swigt__p_OpenBabel__OBConversion, 0, 0, 0},{0, 0, 0, 0}};
39965 static swig_cast_info _swigc__p_OpenBabel__OBDOSData[] = {  {&_swigt__p_OpenBabel__OBDOSData, 0, 0, 0},{0, 0, 0, 0}};
39966 static swig_cast_info _swigc__p_OpenBabel__OBDescriptor[] = {  {&_swigt__p_OpenBabel__OBDescriptor, 0, 0, 0},{0, 0, 0, 0}};
39967 static swig_cast_info _swigc__p_OpenBabel__OBElectronicTransitionData[] = {  {&_swigt__p_OpenBabel__OBElectronicTransitionData, 0, 0, 0},{0, 0, 0, 0}};
39968 static swig_cast_info _swigc__p_OpenBabel__OBElement[] = {  {&_swigt__p_OpenBabel__OBElement, 0, 0, 0},{0, 0, 0, 0}};
39969 static swig_cast_info _swigc__p_OpenBabel__OBElementTable[] = {  {&_swigt__p_OpenBabel__OBElementTable, 0, 0, 0},{0, 0, 0, 0}};
39970 static swig_cast_info _swigc__p_OpenBabel__OBEnergyConformerScore[] = {  {&_swigt__p_OpenBabel__OBEnergyConformerScore, 0, 0, 0},{0, 0, 0, 0}};
39971 static swig_cast_info _swigc__p_OpenBabel__OBError[] = {  {&_swigt__p_OpenBabel__OBError, 0, 0, 0},{0, 0, 0, 0}};
39972 static swig_cast_info _swigc__p_OpenBabel__OBExternalBond[] = {  {&_swigt__p_OpenBabel__OBExternalBond, 0, 0, 0},{0, 0, 0, 0}};
39973 static swig_cast_info _swigc__p_OpenBabel__OBExternalBondData[] = {  {&_swigt__p_OpenBabel__OBExternalBondData, 0, 0, 0},{0, 0, 0, 0}};
39974 static swig_cast_info _swigc__p_OpenBabel__OBFFCalculation2[] = {  {&_swigt__p_OpenBabel__OBFFCalculation2, 0, 0, 0},  {&_swigt__p_OpenBabel__OBFFCalculation3, _p_OpenBabel__OBFFCalculation3To_p_OpenBabel__OBFFCalculation2, 0, 0},  {&_swigt__p_OpenBabel__OBFFCalculation4, _p_OpenBabel__OBFFCalculation4To_p_OpenBabel__OBFFCalculation2, 0, 0},{0, 0, 0, 0}};
39975 static swig_cast_info _swigc__p_OpenBabel__OBFFCalculation3[] = {  {&_swigt__p_OpenBabel__OBFFCalculation3, 0, 0, 0},  {&_swigt__p_OpenBabel__OBFFCalculation4, _p_OpenBabel__OBFFCalculation4To_p_OpenBabel__OBFFCalculation3, 0, 0},{0, 0, 0, 0}};
39976 static swig_cast_info _swigc__p_OpenBabel__OBFFCalculation4[] = {  {&_swigt__p_OpenBabel__OBFFCalculation4, 0, 0, 0},{0, 0, 0, 0}};
39977 static swig_cast_info _swigc__p_OpenBabel__OBFFConstraint[] = {  {&_swigt__p_OpenBabel__OBFFConstraint, 0, 0, 0},{0, 0, 0, 0}};
39978 static swig_cast_info _swigc__p_OpenBabel__OBFFConstraints[] = {  {&_swigt__p_OpenBabel__OBFFConstraints, 0, 0, 0},{0, 0, 0, 0}};
39979 static swig_cast_info _swigc__p_OpenBabel__OBFFParameter[] = {  {&_swigt__p_OpenBabel__OBFFParameter, 0, 0, 0},{0, 0, 0, 0}};
39980 static swig_cast_info _swigc__p_OpenBabel__OBFingerprint[] = {  {&_swigt__p_OpenBabel__OBFingerprint, 0, 0, 0},{0, 0, 0, 0}};
39981 static swig_cast_info _swigc__p_OpenBabel__OBForceField[] = {  {&_swigt__p_OpenBabel__OBForceField, 0, 0, 0},{0, 0, 0, 0}};
39982 static swig_cast_info _swigc__p_OpenBabel__OBFormat[] = {  {&_swigt__p_OpenBabel__OBFormat, 0, 0, 0},{0, 0, 0, 0}};
39983 static swig_cast_info _swigc__p_OpenBabel__OBFreeGrid[] = {  {&_swigt__p_OpenBabel__OBFreeGrid, 0, 0, 0},{0, 0, 0, 0}};
39984 static swig_cast_info _swigc__p_OpenBabel__OBFreeGridPoint[] = {  {&_swigt__p_OpenBabel__OBFreeGridPoint, 0, 0, 0},{0, 0, 0, 0}};
39985 static swig_cast_info _swigc__p_OpenBabel__OBGenericData[] = {  {&_swigt__p_OpenBabel__OBStereoBase, _p_OpenBabel__OBStereoBaseTo_p_OpenBabel__OBGenericData, 0, 0},  {&_swigt__p_OpenBabel__OBRotamerList, _p_OpenBabel__OBRotamerListTo_p_OpenBabel__OBGenericData, 0, 0},  {&_swigt__p_OpenBabel__OBCisTransStereo, _p_OpenBabel__OBCisTransStereoTo_p_OpenBabel__OBGenericData, 0, 0},  {&_swigt__p_OpenBabel__OBVibrationData, _p_OpenBabel__OBVibrationDataTo_p_OpenBabel__OBGenericData, 0, 0},  {&_swigt__p_OpenBabel__OBTorsionData, _p_OpenBabel__OBTorsionDataTo_p_OpenBabel__OBGenericData, 0, 0},  {&_swigt__p_OpenBabel__OBElectronicTransitionData, _p_OpenBabel__OBElectronicTransitionDataTo_p_OpenBabel__OBGenericData, 0, 0},  {&_swigt__p_OpenBabel__OBRotationData, _p_OpenBabel__OBRotationDataTo_p_OpenBabel__OBGenericData, 0, 0},  {&_swigt__p_OpenBabel__AliasData, _p_OpenBabel__AliasDataTo_p_OpenBabel__OBGenericData, 0, 0},  {&_swigt__p_OpenBabel__OBPairData, _p_OpenBabel__OBPairDataTo_p_OpenBabel__OBGenericData, 0, 0},  {&_swigt__p_OpenBabel__OBSquarePlanarStereo, _p_OpenBabel__OBSquarePlanarStereoTo_p_OpenBabel__OBGenericData, 0, 0},  {&_swigt__p_OpenBabel__OBTetraPlanarStereo, _p_OpenBabel__OBTetraPlanarStereoTo_p_OpenBabel__OBGenericData, 0, 0},  {&_swigt__p_OpenBabel__OBTetrahedralStereo, _p_OpenBabel__OBTetrahedralStereoTo_p_OpenBabel__OBGenericData, 0, 0},  {&_swigt__p_OpenBabel__OBTetraNonPlanarStereo, _p_OpenBabel__OBTetraNonPlanarStereoTo_p_OpenBabel__OBGenericData, 0, 0},  {&_swigt__p_OpenBabel__OBAtomClassData, _p_OpenBabel__OBAtomClassDataTo_p_OpenBabel__OBGenericData, 0, 0},  {&_swigt__p_OpenBabel__OBAngleData, _p_OpenBabel__OBAngleDataTo_p_OpenBabel__OBGenericData, 0, 0},  {&_swigt__p_OpenBabel__OBFreeGrid, _p_OpenBabel__OBFreeGridTo_p_OpenBabel__OBGenericData, 0, 0},  {&_swigt__p_OpenBabel__OBChiralData, _p_OpenBabel__OBChiralDataTo_p_OpenBabel__OBGenericData, 0, 0},  {&_swigt__p_OpenBabel__OBOrbitalData, _p_OpenBabel__OBOrbitalDataTo_p_OpenBabel__OBGenericData, 0, 0},  {&_swigt__p_OpenBabel__OBRingData, _p_OpenBabel__OBRingDataTo_p_OpenBabel__OBGenericData, 0, 0},  {&_swigt__p_OpenBabel__OBSerialNums, _p_OpenBabel__OBSerialNumsTo_p_OpenBabel__OBGenericData, 0, 0},  {&_swigt__p_OpenBabel__OBExternalBondData, _p_OpenBabel__OBExternalBondDataTo_p_OpenBabel__OBGenericData, 0, 0},  {&_swigt__p_OpenBabel__OBSetData, _p_OpenBabel__OBSetDataTo_p_OpenBabel__OBGenericData, 0, 0},  {&_swigt__p_OpenBabel__OBSymmetryData, _p_OpenBabel__OBSymmetryDataTo_p_OpenBabel__OBGenericData, 0, 0},  {&_swigt__p_OpenBabel__OBMatrixData, _p_OpenBabel__OBMatrixDataTo_p_OpenBabel__OBGenericData, 0, 0},  {&_swigt__p_OpenBabel__OBCommentData, _p_OpenBabel__OBCommentDataTo_p_OpenBabel__OBGenericData, 0, 0},  {&_swigt__p_OpenBabel__OBVectorData, _p_OpenBabel__OBVectorDataTo_p_OpenBabel__OBGenericData, 0, 0},  {&_swigt__p_OpenBabel__OBVirtualBond, _p_OpenBabel__OBVirtualBondTo_p_OpenBabel__OBGenericData, 0, 0},  {&_swigt__p_OpenBabel__OBConformerData, _p_OpenBabel__OBConformerDataTo_p_OpenBabel__OBGenericData, 0, 0},  {&_swigt__p_OpenBabel__OBDOSData, _p_OpenBabel__OBDOSDataTo_p_OpenBabel__OBGenericData, 0, 0},  {&_swigt__p_OpenBabel__OBGridData, _p_OpenBabel__OBGridDataTo_p_OpenBabel__OBGenericData, 0, 0},  {&_swigt__p_OpenBabel__OBGenericData, 0, 0, 0},  {&_swigt__p_OpenBabel__OBUnitCell, _p_OpenBabel__OBUnitCellTo_p_OpenBabel__OBGenericData, 0, 0},{0, 0, 0, 0}};
39986 static swig_cast_info _swigc__p_OpenBabel__OBGlobalDataBase[] = {  {&_swigt__p_OpenBabel__OBAtomicHeatOfFormationTable, _p_OpenBabel__OBAtomicHeatOfFormationTableTo_p_OpenBabel__OBGlobalDataBase, 0, 0},  {&_swigt__p_OpenBabel__OBAtomTyper, _p_OpenBabel__OBAtomTyperTo_p_OpenBabel__OBGlobalDataBase, 0, 0},  {&_swigt__p_OpenBabel__OBAromaticTyper, _p_OpenBabel__OBAromaticTyperTo_p_OpenBabel__OBGlobalDataBase, 0, 0},  {&_swigt__p_OpenBabel__OBGlobalDataBase, 0, 0, 0},  {&_swigt__p_OpenBabel__OBResidueData, _p_OpenBabel__OBResidueDataTo_p_OpenBabel__OBGlobalDataBase, 0, 0},  {&_swigt__p_OpenBabel__OBRingTyper, _p_OpenBabel__OBRingTyperTo_p_OpenBabel__OBGlobalDataBase, 0, 0},  {&_swigt__p_OpenBabel__OBIsotopeTable, _p_OpenBabel__OBIsotopeTableTo_p_OpenBabel__OBGlobalDataBase, 0, 0},  {&_swigt__p_OpenBabel__OBTypeTable, _p_OpenBabel__OBTypeTableTo_p_OpenBabel__OBGlobalDataBase, 0, 0},  {&_swigt__p_OpenBabel__OBRotorRules, _p_OpenBabel__OBRotorRulesTo_p_OpenBabel__OBGlobalDataBase, 0, 0},  {&_swigt__p_OpenBabel__OBElementTable, _p_OpenBabel__OBElementTableTo_p_OpenBabel__OBGlobalDataBase, 0, 0},{0, 0, 0, 0}};
39987 static swig_cast_info _swigc__p_OpenBabel__OBGraphSym[] = {  {&_swigt__p_OpenBabel__OBGraphSym, 0, 0, 0},{0, 0, 0, 0}};
39988 static swig_cast_info _swigc__p_OpenBabel__OBGridData[] = {  {&_swigt__p_OpenBabel__OBGridData, 0, 0, 0},{0, 0, 0, 0}};
39989 static swig_cast_info _swigc__p_OpenBabel__OBInternalCoord[] = {  {&_swigt__p_OpenBabel__OBInternalCoord, 0, 0, 0},{0, 0, 0, 0}};
39990 static swig_cast_info _swigc__p_OpenBabel__OBIsomorphismMapper[] = {  {&_swigt__p_OpenBabel__OBIsomorphismMapper, 0, 0, 0},{0, 0, 0, 0}};
39991 static swig_cast_info _swigc__p_OpenBabel__OBIsomorphismMapper__Functor[] = {  {&_swigt__p_OpenBabel__OBIsomorphismMapper__Functor, 0, 0, 0},{0, 0, 0, 0}};
39992 static swig_cast_info _swigc__p_OpenBabel__OBIsotopeTable[] = {  {&_swigt__p_OpenBabel__OBIsotopeTable, 0, 0, 0},{0, 0, 0, 0}};
39993 static swig_cast_info _swigc__p_OpenBabel__OBMatrixData[] = {  {&_swigt__p_OpenBabel__OBMatrixData, 0, 0, 0},{0, 0, 0, 0}};
39994 static swig_cast_info _swigc__p_OpenBabel__OBMessageHandler[] = {  {&_swigt__p_OpenBabel__OBMessageHandler, 0, 0, 0},{0, 0, 0, 0}};
39995 static swig_cast_info _swigc__p_OpenBabel__OBMinimizingEnergyConformerScore[] = {  {&_swigt__p_OpenBabel__OBMinimizingEnergyConformerScore, 0, 0, 0},{0, 0, 0, 0}};
39996 static swig_cast_info _swigc__p_OpenBabel__OBMinimizingRMSDConformerScore[] = {  {&_swigt__p_OpenBabel__OBMinimizingRMSDConformerScore, 0, 0, 0},{0, 0, 0, 0}};
39997 static swig_cast_info _swigc__p_OpenBabel__OBMol[] = {  {&_swigt__p_OpenBabel__OBMol, 0, 0, 0},{0, 0, 0, 0}};
39998 static swig_cast_info _swigc__p_OpenBabel__OBMolAngleIter[] = {  {&_swigt__p_OpenBabel__OBMolAngleIter, 0, 0, 0},{0, 0, 0, 0}};
39999 static swig_cast_info _swigc__p_OpenBabel__OBMolAtomBFSIter[] = {  {&_swigt__p_OpenBabel__OBMolAtomBFSIter, 0, 0, 0},{0, 0, 0, 0}};
40000 static swig_cast_info _swigc__p_OpenBabel__OBMolAtomDFSIter[] = {  {&_swigt__p_OpenBabel__OBMolAtomDFSIter, 0, 0, 0},{0, 0, 0, 0}};
40001 static swig_cast_info _swigc__p_OpenBabel__OBMolAtomIter[] = {  {&_swigt__p_OpenBabel__OBMolAtomIter, 0, 0, 0},{0, 0, 0, 0}};
40002 static swig_cast_info _swigc__p_OpenBabel__OBMolBondBFSIter[] = {  {&_swigt__p_OpenBabel__OBMolBondBFSIter, 0, 0, 0},{0, 0, 0, 0}};
40003 static swig_cast_info _swigc__p_OpenBabel__OBMolBondIter[] = {  {&_swigt__p_OpenBabel__OBMolBondIter, 0, 0, 0},{0, 0, 0, 0}};
40004 static swig_cast_info _swigc__p_OpenBabel__OBMolPairIter[] = {  {&_swigt__p_OpenBabel__OBMolPairIter, 0, 0, 0},{0, 0, 0, 0}};
40005 static swig_cast_info _swigc__p_OpenBabel__OBMolRingIter[] = {  {&_swigt__p_OpenBabel__OBMolRingIter, 0, 0, 0},{0, 0, 0, 0}};
40006 static swig_cast_info _swigc__p_OpenBabel__OBMolTorsionIter[] = {  {&_swigt__p_OpenBabel__OBMolTorsionIter, 0, 0, 0},{0, 0, 0, 0}};
40007 static swig_cast_info _swigc__p_OpenBabel__OBNasaThermoData[] = {  {&_swigt__p_OpenBabel__OBNasaThermoData, 0, 0, 0},{0, 0, 0, 0}};
40008 static swig_cast_info _swigc__p_OpenBabel__OBOp[] = {  {&_swigt__p_OpenBabel__OBOp, 0, 0, 0},{0, 0, 0, 0}};
40009 static swig_cast_info _swigc__p_OpenBabel__OBOrbital[] = {  {&_swigt__p_OpenBabel__OBOrbital, 0, 0, 0},{0, 0, 0, 0}};
40010 static swig_cast_info _swigc__p_OpenBabel__OBOrbitalData[] = {  {&_swigt__p_OpenBabel__OBOrbitalData, 0, 0, 0},{0, 0, 0, 0}};
40011 static swig_cast_info _swigc__p_OpenBabel__OBPairData[] = {  {&_swigt__p_OpenBabel__OBPairData, 0, 0, 0},{0, 0, 0, 0}};
40012 static swig_cast_info _swigc__p_OpenBabel__OBPairTemplateT_bool_t[] = {  {&_swigt__p_OpenBabel__OBPairTemplateT_bool_t, 0, 0, 0},{0, 0, 0, 0}};
40013 static swig_cast_info _swigc__p_OpenBabel__OBPairTemplateT_double_t[] = {  {&_swigt__p_OpenBabel__OBPairTemplateT_double_t, 0, 0, 0},{0, 0, 0, 0}};
40014 static swig_cast_info _swigc__p_OpenBabel__OBPairTemplateT_int_t[] = {  {&_swigt__p_OpenBabel__OBPairTemplateT_int_t, 0, 0, 0},{0, 0, 0, 0}};
40015 static swig_cast_info _swigc__p_OpenBabel__OBPlugin[] = {  {&_swigt__p_OpenBabel__OBDescriptor, _p_OpenBabel__OBDescriptorTo_p_OpenBabel__OBPlugin, 0, 0},  {&_swigt__p_OpenBabel__OBChargeModel, _p_OpenBabel__OBChargeModelTo_p_OpenBabel__OBPlugin, 0, 0},  {&_swigt__p_OpenBabel__OBPlugin, 0, 0, 0},  {&_swigt__p_OpenBabel__OBForceField, _p_OpenBabel__OBForceFieldTo_p_OpenBabel__OBPlugin, 0, 0},  {&_swigt__p_OpenBabel__OBOp, _p_OpenBabel__OBOpTo_p_OpenBabel__OBPlugin, 0, 0},  {&_swigt__p_OpenBabel__OBFormat, _p_OpenBabel__OBFormatTo_p_OpenBabel__OBPlugin, 0, 0},  {&_swigt__p_OpenBabel__OBFingerprint, _p_OpenBabel__OBFingerprintTo_p_OpenBabel__OBPlugin, 0, 0},{0, 0, 0, 0}};
40016 static swig_cast_info _swigc__p_OpenBabel__OBPlugin__PluginMapType__const_iterator[] = {  {&_swigt__p_OpenBabel__OBPlugin__PluginMapType__const_iterator, 0, 0, 0},{0, 0, 0, 0}};
40017 static swig_cast_info _swigc__p_OpenBabel__OBQuery[] = {  {&_swigt__p_OpenBabel__OBQuery, 0, 0, 0},{0, 0, 0, 0}};
40018 static swig_cast_info _swigc__p_OpenBabel__OBQueryAtom[] = {  {&_swigt__p_OpenBabel__OBQueryAtom, 0, 0, 0},{0, 0, 0, 0}};
40019 static swig_cast_info _swigc__p_OpenBabel__OBQueryBond[] = {  {&_swigt__p_OpenBabel__OBQueryBond, 0, 0, 0},{0, 0, 0, 0}};
40020 static swig_cast_info _swigc__p_OpenBabel__OBRMSDConformerScore[] = {  {&_swigt__p_OpenBabel__OBRMSDConformerScore, 0, 0, 0},{0, 0, 0, 0}};
40021 static swig_cast_info _swigc__p_OpenBabel__OBRTree[] = {  {&_swigt__p_OpenBabel__OBRTree, 0, 0, 0},{0, 0, 0, 0}};
40022 static swig_cast_info _swigc__p_OpenBabel__OBRandom[] = {  {&_swigt__p_OpenBabel__OBRandom, 0, 0, 0},{0, 0, 0, 0}};
40023 static swig_cast_info _swigc__p_OpenBabel__OBRateData[] = {  {&_swigt__p_OpenBabel__OBRateData, 0, 0, 0},{0, 0, 0, 0}};
40024 static swig_cast_info _swigc__p_OpenBabel__OBReaction[] = {  {&_swigt__p_OpenBabel__OBReaction, 0, 0, 0},{0, 0, 0, 0}};
40025 static swig_cast_info _swigc__p_OpenBabel__OBResidue[] = {  {&_swigt__p_OpenBabel__OBResidue, 0, 0, 0},{0, 0, 0, 0}};
40026 static swig_cast_info _swigc__p_OpenBabel__OBResidueAtomIter[] = {  {&_swigt__p_OpenBabel__OBResidueAtomIter, 0, 0, 0},{0, 0, 0, 0}};
40027 static swig_cast_info _swigc__p_OpenBabel__OBResidueData[] = {  {&_swigt__p_OpenBabel__OBResidueData, 0, 0, 0},{0, 0, 0, 0}};
40028 static swig_cast_info _swigc__p_OpenBabel__OBResidueIter[] = {  {&_swigt__p_OpenBabel__OBResidueIter, 0, 0, 0},{0, 0, 0, 0}};
40029 static swig_cast_info _swigc__p_OpenBabel__OBRing[] = {  {&_swigt__p_OpenBabel__OBRing, 0, 0, 0},{0, 0, 0, 0}};
40030 static swig_cast_info _swigc__p_OpenBabel__OBRingData[] = {  {&_swigt__p_OpenBabel__OBRingData, 0, 0, 0},{0, 0, 0, 0}};
40031 static swig_cast_info _swigc__p_OpenBabel__OBRingSearch[] = {  {&_swigt__p_OpenBabel__OBRingSearch, 0, 0, 0},{0, 0, 0, 0}};
40032 static swig_cast_info _swigc__p_OpenBabel__OBRingTyper[] = {  {&_swigt__p_OpenBabel__OBRingTyper, 0, 0, 0},{0, 0, 0, 0}};
40033 static swig_cast_info _swigc__p_OpenBabel__OBRotamerList[] = {  {&_swigt__p_OpenBabel__OBRotamerList, 0, 0, 0},{0, 0, 0, 0}};
40034 static swig_cast_info _swigc__p_OpenBabel__OBRotationData[] = {  {&_swigt__p_OpenBabel__OBRotationData, 0, 0, 0},{0, 0, 0, 0}};
40035 static swig_cast_info _swigc__p_OpenBabel__OBRotor[] = {  {&_swigt__p_OpenBabel__OBRotor, 0, 0, 0},{0, 0, 0, 0}};
40036 static swig_cast_info _swigc__p_OpenBabel__OBRotorKeys[] = {  {&_swigt__p_OpenBabel__OBRotorKeys, 0, 0, 0},{0, 0, 0, 0}};
40037 static swig_cast_info _swigc__p_OpenBabel__OBRotorList[] = {  {&_swigt__p_OpenBabel__OBRotorList, 0, 0, 0},{0, 0, 0, 0}};
40038 static swig_cast_info _swigc__p_OpenBabel__OBRotorRule[] = {  {&_swigt__p_OpenBabel__OBRotorRule, 0, 0, 0},{0, 0, 0, 0}};
40039 static swig_cast_info _swigc__p_OpenBabel__OBRotorRules[] = {  {&_swigt__p_OpenBabel__OBRotorRules, 0, 0, 0},{0, 0, 0, 0}};
40040 static swig_cast_info _swigc__p_OpenBabel__OBSSMatch[] = {  {&_swigt__p_OpenBabel__OBSSMatch, 0, 0, 0},{0, 0, 0, 0}};
40041 static swig_cast_info _swigc__p_OpenBabel__OBSerialNums[] = {  {&_swigt__p_OpenBabel__OBSerialNums, 0, 0, 0},{0, 0, 0, 0}};
40042 static swig_cast_info _swigc__p_OpenBabel__OBSetData[] = {  {&_swigt__p_OpenBabel__OBSetData, 0, 0, 0},{0, 0, 0, 0}};
40043 static swig_cast_info _swigc__p_OpenBabel__OBSmartsMatcher[] = {  {&_swigt__p_OpenBabel__OBSmartsMatcher, 0, 0, 0},{0, 0, 0, 0}};
40044 static swig_cast_info _swigc__p_OpenBabel__OBSmartsPattern[] = {  {&_swigt__p_OpenBabel__OBSmartsPattern, 0, 0, 0},{0, 0, 0, 0}};
40045 static swig_cast_info _swigc__p_OpenBabel__OBSpectrophore[] = {  {&_swigt__p_OpenBabel__OBSpectrophore, 0, 0, 0},{0, 0, 0, 0}};
40046 static swig_cast_info _swigc__p_OpenBabel__OBSqrtTbl[] = {  {&_swigt__p_OpenBabel__OBSqrtTbl, 0, 0, 0},{0, 0, 0, 0}};
40047 static swig_cast_info _swigc__p_OpenBabel__OBSquarePlanarConfig[] = {  {&_swigt__p_OpenBabel__OBSquarePlanarConfig, 0, 0, 0},{0, 0, 0, 0}};
40048 static swig_cast_info _swigc__p_OpenBabel__OBSquarePlanarStereo[] = {  {&_swigt__p_OpenBabel__OBSquarePlanarStereo, 0, 0, 0},{0, 0, 0, 0}};
40049 static swig_cast_info _swigc__p_OpenBabel__OBStereo[] = {  {&_swigt__p_OpenBabel__OBStereo, 0, 0, 0},{0, 0, 0, 0}};
40050 static swig_cast_info _swigc__p_OpenBabel__OBStereoBase[] = {  {&_swigt__p_OpenBabel__OBStereoBase, 0, 0, 0},  {&_swigt__p_OpenBabel__OBTetraNonPlanarStereo, _p_OpenBabel__OBTetraNonPlanarStereoTo_p_OpenBabel__OBStereoBase, 0, 0},  {&_swigt__p_OpenBabel__OBTetrahedralStereo, _p_OpenBabel__OBTetrahedralStereoTo_p_OpenBabel__OBStereoBase, 0, 0},  {&_swigt__p_OpenBabel__OBTetraPlanarStereo, _p_OpenBabel__OBTetraPlanarStereoTo_p_OpenBabel__OBStereoBase, 0, 0},  {&_swigt__p_OpenBabel__OBSquarePlanarStereo, _p_OpenBabel__OBSquarePlanarStereoTo_p_OpenBabel__OBStereoBase, 0, 0},  {&_swigt__p_OpenBabel__OBCisTransStereo, _p_OpenBabel__OBCisTransStereoTo_p_OpenBabel__OBStereoBase, 0, 0},{0, 0, 0, 0}};
40051 static swig_cast_info _swigc__p_OpenBabel__OBStereoFacade[] = {  {&_swigt__p_OpenBabel__OBStereoFacade, 0, 0, 0},{0, 0, 0, 0}};
40052 static swig_cast_info _swigc__p_OpenBabel__OBStereoUnit[] = {  {&_swigt__p_OpenBabel__OBStereoUnit, 0, 0, 0},{0, 0, 0, 0}};
40053 static swig_cast_info _swigc__p_OpenBabel__OBStericConformerFilter[] = {  {&_swigt__p_OpenBabel__OBStericConformerFilter, 0, 0, 0},{0, 0, 0, 0}};
40054 static swig_cast_info _swigc__p_OpenBabel__OBStopwatch[] = {  {&_swigt__p_OpenBabel__OBStopwatch, 0, 0, 0},{0, 0, 0, 0}};
40055 static swig_cast_info _swigc__p_OpenBabel__OBSymmetryData[] = {  {&_swigt__p_OpenBabel__OBSymmetryData, 0, 0, 0},{0, 0, 0, 0}};
40056 static swig_cast_info _swigc__p_OpenBabel__OBTetraNonPlanarStereo[] = {  {&_swigt__p_OpenBabel__OBTetraNonPlanarStereo, 0, 0, 0},  {&_swigt__p_OpenBabel__OBTetrahedralStereo, _p_OpenBabel__OBTetrahedralStereoTo_p_OpenBabel__OBTetraNonPlanarStereo, 0, 0},{0, 0, 0, 0}};
40057 static swig_cast_info _swigc__p_OpenBabel__OBTetraPlanarStereo[] = {  {&_swigt__p_OpenBabel__OBTetraPlanarStereo, 0, 0, 0},  {&_swigt__p_OpenBabel__OBSquarePlanarStereo, _p_OpenBabel__OBSquarePlanarStereoTo_p_OpenBabel__OBTetraPlanarStereo, 0, 0},  {&_swigt__p_OpenBabel__OBCisTransStereo, _p_OpenBabel__OBCisTransStereoTo_p_OpenBabel__OBTetraPlanarStereo, 0, 0},{0, 0, 0, 0}};
40058 static swig_cast_info _swigc__p_OpenBabel__OBTetrahedralConfig[] = {  {&_swigt__p_OpenBabel__OBTetrahedralConfig, 0, 0, 0},{0, 0, 0, 0}};
40059 static swig_cast_info _swigc__p_OpenBabel__OBTetrahedralStereo[] = {  {&_swigt__p_OpenBabel__OBTetrahedralStereo, 0, 0, 0},{0, 0, 0, 0}};
40060 static swig_cast_info _swigc__p_OpenBabel__OBTorsion[] = {  {&_swigt__p_OpenBabel__OBTorsion, 0, 0, 0},{0, 0, 0, 0}};
40061 static swig_cast_info _swigc__p_OpenBabel__OBTorsionData[] = {  {&_swigt__p_OpenBabel__OBTorsionData, 0, 0, 0},{0, 0, 0, 0}};
40062 static swig_cast_info _swigc__p_OpenBabel__OBTypeTable[] = {  {&_swigt__p_OpenBabel__OBTypeTable, 0, 0, 0},{0, 0, 0, 0}};
40063 static swig_cast_info _swigc__p_OpenBabel__OBUnitCell[] = {  {&_swigt__p_OpenBabel__OBUnitCell, 0, 0, 0},{0, 0, 0, 0}};
40064 static swig_cast_info _swigc__p_OpenBabel__OBVectorData[] = {  {&_swigt__p_OpenBabel__OBVectorData, 0, 0, 0},{0, 0, 0, 0}};
40065 static swig_cast_info _swigc__p_OpenBabel__OBVibrationData[] = {  {&_swigt__p_OpenBabel__OBVibrationData, 0, 0, 0},{0, 0, 0, 0}};
40066 static swig_cast_info _swigc__p_OpenBabel__OBVirtualBond[] = {  {&_swigt__p_OpenBabel__OBVirtualBond, 0, 0, 0},{0, 0, 0, 0}};
40067 static swig_cast_info _swigc__p_OpenBabel__Pattern[] = {  {&_swigt__p_OpenBabel__Pattern, 0, 0, 0},{0, 0, 0, 0}};
40068 static swig_cast_info _swigc__p_OpenBabel__SpaceGroup[] = {  {&_swigt__p_OpenBabel__SpaceGroup, 0, 0, 0},{0, 0, 0, 0}};
40069 static swig_cast_info _swigc__p_OpenBabel__Template[] = {  {&_swigt__p_OpenBabel__Template, 0, 0, 0},{0, 0, 0, 0}};
40070 static swig_cast_info _swigc__p_OpenBabel__matrix3x3[] = {  {&_swigt__p_OpenBabel__transform3d, _p_OpenBabel__transform3dTo_p_OpenBabel__matrix3x3, 0, 0},  {&_swigt__p_OpenBabel__matrix3x3, 0, 0, 0},{0, 0, 0, 0}};
40071 static swig_cast_info _swigc__p_OpenBabel__obLogBuf[] = {  {&_swigt__p_OpenBabel__obLogBuf, 0, 0, 0},{0, 0, 0, 0}};
40072 static swig_cast_info _swigc__p_OpenBabel__quadT_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t[] = {  {&_swigt__p_OpenBabel__quadT_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t, 0, 0, 0},{0, 0, 0, 0}};
40073 static swig_cast_info _swigc__p_OpenBabel__rotor_digit[] = {  {&_swigt__p_OpenBabel__rotor_digit, 0, 0, 0},{0, 0, 0, 0}};
40074 static swig_cast_info _swigc__p_OpenBabel__transform3d[] = {  {&_swigt__p_OpenBabel__transform3d, 0, 0, 0},{0, 0, 0, 0}};
40075 static swig_cast_info _swigc__p_OpenBabel__tripleT_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t[] = {  {&_swigt__p_OpenBabel__tripleT_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t, 0, 0, 0},{0, 0, 0, 0}};
40076 static swig_cast_info _swigc__p_OpenBabel__vector3[] = {  {&_swigt__p_OpenBabel__transform3d, _p_OpenBabel__transform3dTo_p_OpenBabel__vector3, 0, 0},  {&_swigt__p_OpenBabel__vector3, 0, 0, 0},{0, 0, 0, 0}};
40077 static swig_cast_info _swigc__p_PluginIterator[] = {  {&_swigt__p_PluginIterator, 0, 0, 0},{0, 0, 0, 0}};
40078 static swig_cast_info _swigc__p_PluginMapType[] = {  {&_swigt__p_PluginMapType, 0, 0, 0},{0, 0, 0, 0}};
40079 static swig_cast_info _swigc__p_Ref[] = {  {&_swigt__p_Ref, 0, 0, 0},{0, 0, 0, 0}};
40080 static swig_cast_info _swigc__p_RefIter[] = {  {&_swigt__p_RefIter, 0, 0, 0},{0, 0, 0, 0}};
40081 static swig_cast_info _swigc__p_Refs[] = {  {&_swigt__p_Refs, 0, 0, 0},{0, 0, 0, 0}};
40082 static swig_cast_info _swigc__p_Unit[] = {  {&_swigt__p_Unit, 0, 0, 0},{0, 0, 0, 0}};
40083 static swig_cast_info _swigc__p_a_3__double[] = {  {&_swigt__p_a_3__double, 0, 0, 0},{0, 0, 0, 0}};
40084 static swig_cast_info _swigc__p_a_4__char[] = {  {&_swigt__p_a_4__char, 0, 0, 0},{0, 0, 0, 0}};
40085 static swig_cast_info _swigc__p_allocator_type[] = {  {&_swigt__p_allocator_type, 0, 0, 0},{0, 0, 0, 0}};
40086 static swig_cast_info _swigc__p_char[] = {  {&_swigt__p_char, 0, 0, 0},{0, 0, 0, 0}};
40087 static swig_cast_info _swigc__p_const_reference[] = {  {&_swigt__p_const_reference, 0, 0, 0},{0, 0, 0, 0}};
40088 static swig_cast_info _swigc__p_difference_type[] = {  {&_swigt__p_difference_type, 0, 0, 0},{0, 0, 0, 0}};
40089 static swig_cast_info _swigc__p_double[] = {  {&_swigt__p_double, 0, 0, 0},{0, 0, 0, 0}};
40090 static swig_cast_info _swigc__p_first_type[] = {  {&_swigt__p_first_type, 0, 0, 0},{0, 0, 0, 0}};
40091 static swig_cast_info _swigc__p_int[] = {  {&_swigt__p_int, 0, 0, 0},{0, 0, 0, 0}};
40092 static swig_cast_info _swigc__p_obsharedptrT_OpenBabel__OBMol_t[] = {  {&_swigt__p_obsharedptrT_OpenBabel__OBMol_t, 0, 0, 0},{0, 0, 0, 0}};
40093 static swig_cast_info _swigc__p_p_OpenBabel__OBChargeModel[] = {  {&_swigt__p_p_OpenBabel__OBChargeModel, 0, 0, 0},{0, 0, 0, 0}};
40094 static swig_cast_info _swigc__p_p_OpenBabel__OBDescriptor[] = {  {&_swigt__p_p_OpenBabel__OBDescriptor, 0, 0, 0},{0, 0, 0, 0}};
40095 static swig_cast_info _swigc__p_p_OpenBabel__OBFingerprint[] = {  {&_swigt__p_p_OpenBabel__OBFingerprint, 0, 0, 0},{0, 0, 0, 0}};
40096 static swig_cast_info _swigc__p_p_OpenBabel__OBForceField[] = {  {&_swigt__p_p_OpenBabel__OBForceField, 0, 0, 0},{0, 0, 0, 0}};
40097 static swig_cast_info _swigc__p_p_OpenBabel__OBFormat[] = {  {&_swigt__p_p_OpenBabel__OBFormat, 0, 0, 0},{0, 0, 0, 0}};
40098 static swig_cast_info _swigc__p_p_OpenBabel__OBOp[] = {  {&_swigt__p_p_OpenBabel__OBOp, 0, 0, 0},{0, 0, 0, 0}};
40099 static swig_cast_info _swigc__p_p_double[] = {  {&_swigt__p_p_double, 0, 0, 0},{0, 0, 0, 0}};
40100 static swig_cast_info _swigc__p_p_int[] = {  {&_swigt__p_p_int, 0, 0, 0},{0, 0, 0, 0}};
40101 static swig_cast_info _swigc__p_reference[] = {  {&_swigt__p_reference, 0, 0, 0},{0, 0, 0, 0}};
40102 static swig_cast_info _swigc__p_second_type[] = {  {&_swigt__p_second_type, 0, 0, 0},{0, 0, 0, 0}};
40103 static swig_cast_info _swigc__p_size_type[] = {  {&_swigt__p_size_type, 0, 0, 0},{0, 0, 0, 0}};
40104 static swig_cast_info _swigc__p_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t[] = {  {&_swigt__p_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t, 0, 0, 0},{0, 0, 0, 0}};
40105 static swig_cast_info _swigc__p_std__binary_functionT_char_const_p_char_const_p_bool_t[] = {  {&_swigt__p_std__binary_functionT_char_const_p_char_const_p_bool_t, 0, 0, 0},  {&_swigt__p_OpenBabel__CharPtrLess, _p_OpenBabel__CharPtrLessTo_p_std__binary_functionT_char_const_p_char_const_p_bool_t, 0, 0},{0, 0, 0, 0}};
40106 static swig_cast_info _swigc__p_std__dequeT_int_t[] = {  {&_swigt__p_std__dequeT_int_t, 0, 0, 0},{0, 0, 0, 0}};
40107 static swig_cast_info _swigc__p_std__istream[] = {  {&_swigt__p_std__istream, 0, 0, 0},{0, 0, 0, 0}};
40108 static swig_cast_info _swigc__p_std__listT_OpenBabel__transform3d_p_t__const_iterator[] = {  {&_swigt__p_std__listT_OpenBabel__transform3d_p_t__const_iterator, 0, 0, 0},{0, 0, 0, 0}};
40109 static swig_cast_info _swigc__p_std__listT_OpenBabel__vector3_t[] = {  {&_swigt__p_std__listT_OpenBabel__vector3_t, 0, 0, 0},{0, 0, 0, 0}};
40110 static swig_cast_info _swigc__p_std__mapT_OpenBabel__OBBond_p_OpenBabel__OBStereo__BondDirection_std__lessT_OpenBabel__OBBond_p_t_std__allocatorT_std__pairT_OpenBabel__OBBond_pconst_OpenBabel__OBStereo__BondDirection_t_t_t[] = {  {&_swigt__p_std__mapT_OpenBabel__OBBond_p_OpenBabel__OBStereo__BondDirection_std__lessT_OpenBabel__OBBond_p_t_std__allocatorT_std__pairT_OpenBabel__OBBond_pconst_OpenBabel__OBStereo__BondDirection_t_t_t, 0, 0, 0},{0, 0, 0, 0}};
40111 static swig_cast_info _swigc__p_std__mapT_OpenBabel__OBBond_p_unsigned_long_std__lessT_OpenBabel__OBBond_p_t_std__allocatorT_std__pairT_OpenBabel__OBBond_pconst_unsigned_long_t_t_t[] = {  {&_swigt__p_std__mapT_OpenBabel__OBBond_p_unsigned_long_std__lessT_OpenBabel__OBBond_p_t_std__allocatorT_std__pairT_OpenBabel__OBBond_pconst_unsigned_long_t_t_t, 0, 0, 0},{0, 0, 0, 0}};
40112 static swig_cast_info _swigc__p_std__mapT_char_const_p_OpenBabel__OBPlugin_p_OpenBabel__CharPtrLess_std__allocatorT_std__pairT_char_const_pconst_OpenBabel__OBPlugin_p_t_t_t[] = {  {&_swigt__p_std__mapT_char_const_p_OpenBabel__OBPlugin_p_OpenBabel__CharPtrLess_std__allocatorT_std__pairT_char_const_pconst_OpenBabel__OBPlugin_p_t_t_t, 0, 0, 0},{0, 0, 0, 0}};
40113 static swig_cast_info _swigc__p_std__mapT_int_OpenBabel__OBAtom_p_std__lessT_int_t_std__allocatorT_std__pairT_int_const_OpenBabel__OBAtom_p_t_t_t[] = {  {&_swigt__p_std__mapT_int_OpenBabel__OBAtom_p_std__lessT_int_t_std__allocatorT_std__pairT_int_const_OpenBabel__OBAtom_p_t_t_t, 0, 0, 0},{0, 0, 0, 0}};
40114 static swig_cast_info _swigc__p_std__mapT_std__string_std__string_std__lessT_std__string_t_std__allocatorT_std__pairT_std__string_const_std__string_t_t_t[] = {  {&_swigt__p_std__mapT_std__string_std__string_std__lessT_std__string_t_std__allocatorT_std__pairT_std__string_const_std__string_t_t_t, 0, 0, 0},{0, 0, 0, 0}};
40115 static swig_cast_info _swigc__p_std__mapT_std__vectorT_int_std__allocatorT_int_t_t_double_std__lessT_std__vectorT_int_t_t_std__allocatorT_std__pairT_std__vectorT_int_std__allocatorT_int_t_t_const_double_t_t_t[] = {  {&_swigt__p_std__mapT_std__vectorT_int_std__allocatorT_int_t_t_double_std__lessT_std__vectorT_int_t_t_std__allocatorT_std__pairT_std__vectorT_int_std__allocatorT_int_t_t_const_double_t_t_t, 0, 0, 0},{0, 0, 0, 0}};
40116 static swig_cast_info _swigc__p_std__multimapT_double_unsigned_int_t[] = {  {&_swigt__p_std__multimapT_double_unsigned_int_t, 0, 0, 0},{0, 0, 0, 0}};
40117 static swig_cast_info _swigc__p_std__ostream[] = {  {&_swigt__p_std__ostream, 0, 0, 0},{0, 0, 0, 0}};
40118 static swig_cast_info _swigc__p_std__ostringstream[] = {  {&_swigt__p_std__ostringstream, 0, 0, 0},{0, 0, 0, 0}};
40119 static swig_cast_info _swigc__p_std__pairT_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t[] = {  {&_swigt__p_std__pairT_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t, 0, 0, 0},{0, 0, 0, 0}};
40120 static swig_cast_info _swigc__p_std__pairT_int_int_t[] = {  {&_swigt__p_std__pairT_int_int_t, 0, 0, 0},{0, 0, 0, 0}};
40121 static swig_cast_info _swigc__p_std__pairT_std__string_std__string_t[] = {  {&_swigt__p_std__pairT_std__string_std__string_t, 0, 0, 0},{0, 0, 0, 0}};
40122 static swig_cast_info _swigc__p_std__pairT_unsigned_int_unsigned_int_t[] = {  {&_swigt__p_std__pairT_unsigned_int_unsigned_int_t, 0, 0, 0},{0, 0, 0, 0}};
40123 static swig_cast_info _swigc__p_std__setT_OpenBabel__OBBond_p_t[] = {  {&_swigt__p_std__setT_OpenBabel__OBBond_p_t, 0, 0, 0},{0, 0, 0, 0}};
40124 static swig_cast_info _swigc__p_std__streampos[] = {  {&_swigt__p_std__streampos, 0, 0, 0},{0, 0, 0, 0}};
40125 static swig_cast_info _swigc__p_std__string[] = {  {&_swigt__p_stringp, _p_stringpTo_p_std__string, 0, 0},  {&_swigt__p_std__string, 0, 0, 0},{0, 0, 0, 0}};
40126 static swig_cast_info _swigc__p_std__stringbuf[] = {  {&_swigt__p_std__stringbuf, 0, 0, 0},  {&_swigt__p_OpenBabel__obLogBuf, _p_OpenBabel__obLogBufTo_p_std__stringbuf, 0, 0},{0, 0, 0, 0}};
40127 static swig_cast_info _swigc__p_std__type_info[] = {  {&_swigt__p_std__type_info, 0, 0, 0},{0, 0, 0, 0}};
40128 static swig_cast_info _swigc__p_std__vectorT_OpenBabel__OBAtom_p_std__allocatorT_OpenBabel__OBAtom_p_t_t[] = {  {&_swigt__p_std__vectorT_OpenBabel__OBAtom_p_std__allocatorT_OpenBabel__OBAtom_p_t_t, 0, 0, 0},{0, 0, 0, 0}};
40129 static swig_cast_info _swigc__p_std__vectorT_OpenBabel__OBAtom_p_std__allocatorT_OpenBabel__OBAtom_p_t_t__iterator[] = {  {&_swigt__p_std__vectorT_OpenBabel__OBAtom_p_std__allocatorT_OpenBabel__OBAtom_p_t_t__iterator, 0, 0, 0},{0, 0, 0, 0}};
40130 static swig_cast_info _swigc__p_std__vectorT_OpenBabel__OBBase_p_std__allocatorT_OpenBabel__OBBase_p_t_t[] = {  {&_swigt__p_std__vectorT_OpenBabel__OBBase_p_std__allocatorT_OpenBabel__OBBase_p_t_t, 0, 0, 0},{0, 0, 0, 0}};
40131 static swig_cast_info _swigc__p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t[] = {  {&_swigt__p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t, 0, 0, 0},{0, 0, 0, 0}};
40132 static swig_cast_info _swigc__p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator[] = {  {&_swigt__p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator, 0, 0, 0},{0, 0, 0, 0}};
40133 static swig_cast_info _swigc__p_std__vectorT_OpenBabel__OBBond_std__allocatorT_OpenBabel__OBBond_t_t[] = {  {&_swigt__p_std__vectorT_OpenBabel__OBBond_std__allocatorT_OpenBabel__OBBond_t_t, 0, 0, 0},{0, 0, 0, 0}};
40134 static swig_cast_info _swigc__p_std__vectorT_OpenBabel__OBCisTransStereo_p_std__allocatorT_OpenBabel__OBCisTransStereo_p_t_t[] = {  {&_swigt__p_std__vectorT_OpenBabel__OBCisTransStereo_p_std__allocatorT_OpenBabel__OBCisTransStereo_p_t_t, 0, 0, 0},{0, 0, 0, 0}};
40135 static swig_cast_info _swigc__p_std__vectorT_OpenBabel__OBConformerFilter_p_std__allocatorT_OpenBabel__OBConformerFilter_p_t_t[] = {  {&_swigt__p_std__vectorT_OpenBabel__OBConformerFilter_p_std__allocatorT_OpenBabel__OBConformerFilter_p_t_t, 0, 0, 0},{0, 0, 0, 0}};
40136 static swig_cast_info _swigc__p_std__vectorT_OpenBabel__OBExternalBond_std__allocatorT_OpenBabel__OBExternalBond_t_t[] = {  {&_swigt__p_std__vectorT_OpenBabel__OBExternalBond_std__allocatorT_OpenBabel__OBExternalBond_t_t, 0, 0, 0},{0, 0, 0, 0}};
40137 static swig_cast_info _swigc__p_std__vectorT_OpenBabel__OBFreeGridPoint_p_std__allocatorT_OpenBabel__OBFreeGridPoint_p_t_t__iterator[] = {  {&_swigt__p_std__vectorT_OpenBabel__OBFreeGridPoint_p_std__allocatorT_OpenBabel__OBFreeGridPoint_p_t_t__iterator, 0, 0, 0},{0, 0, 0, 0}};
40138 static swig_cast_info _swigc__p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t[] = {  {&_swigt__p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t, 0, 0, 0},{0, 0, 0, 0}};
40139 static swig_cast_info _swigc__p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t__iterator[] = {  {&_swigt__p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t__iterator, 0, 0, 0},{0, 0, 0, 0}};
40140 static swig_cast_info _swigc__p_std__vectorT_OpenBabel__OBInternalCoord_p_std__allocatorT_OpenBabel__OBInternalCoord_p_t_t[] = {  {&_swigt__p_std__vectorT_OpenBabel__OBInternalCoord_p_std__allocatorT_OpenBabel__OBInternalCoord_p_t_t, 0, 0, 0},{0, 0, 0, 0}};
40141 static swig_cast_info _swigc__p_std__vectorT_OpenBabel__OBInternalCoord_p_std__allocatorT_OpenBabel__OBInternalCoord_p_t_t__iterator[] = {  {&_swigt__p_std__vectorT_OpenBabel__OBInternalCoord_p_std__allocatorT_OpenBabel__OBInternalCoord_p_t_t__iterator, 0, 0, 0},{0, 0, 0, 0}};
40142 static swig_cast_info _swigc__p_std__vectorT_OpenBabel__OBMol_std__allocatorT_OpenBabel__OBMol_t_t[] = {  {&_swigt__p_std__vectorT_OpenBabel__OBMol_std__allocatorT_OpenBabel__OBMol_t_t, 0, 0, 0},{0, 0, 0, 0}};
40143 static swig_cast_info _swigc__p_std__vectorT_OpenBabel__OBOrbital_std__allocatorT_OpenBabel__OBOrbital_t_t[] = {  {&_swigt__p_std__vectorT_OpenBabel__OBOrbital_std__allocatorT_OpenBabel__OBOrbital_t_t, 0, 0, 0},{0, 0, 0, 0}};
40144 static swig_cast_info _swigc__p_std__vectorT_OpenBabel__OBQueryAtom_p_std__allocatorT_OpenBabel__OBQueryAtom_p_t_t[] = {  {&_swigt__p_std__vectorT_OpenBabel__OBQueryAtom_p_std__allocatorT_OpenBabel__OBQueryAtom_p_t_t, 0, 0, 0},{0, 0, 0, 0}};
40145 static swig_cast_info _swigc__p_std__vectorT_OpenBabel__OBQueryBond_p_std__allocatorT_OpenBabel__OBQueryBond_p_t_t[] = {  {&_swigt__p_std__vectorT_OpenBabel__OBQueryBond_p_std__allocatorT_OpenBabel__OBQueryBond_p_t_t, 0, 0, 0},{0, 0, 0, 0}};
40146 static swig_cast_info _swigc__p_std__vectorT_OpenBabel__OBResidue_p_std__allocatorT_OpenBabel__OBResidue_p_t_t__iterator[] = {  {&_swigt__p_std__vectorT_OpenBabel__OBResidue_p_std__allocatorT_OpenBabel__OBResidue_p_t_t__iterator, 0, 0, 0},{0, 0, 0, 0}};
40147 static swig_cast_info _swigc__p_std__vectorT_OpenBabel__OBResidue_std__allocatorT_OpenBabel__OBResidue_t_t[] = {  {&_swigt__p_std__vectorT_OpenBabel__OBResidue_std__allocatorT_OpenBabel__OBResidue_t_t, 0, 0, 0},{0, 0, 0, 0}};
40148 static swig_cast_info _swigc__p_std__vectorT_OpenBabel__OBRing_p_std__allocatorT_OpenBabel__OBRing_p_t_t[] = {  {&_swigt__p_std__vectorT_OpenBabel__OBRing_p_std__allocatorT_OpenBabel__OBRing_p_t_t, 0, 0, 0},{0, 0, 0, 0}};
40149 static swig_cast_info _swigc__p_std__vectorT_OpenBabel__OBRing_p_std__allocatorT_OpenBabel__OBRing_p_t_t__iterator[] = {  {&_swigt__p_std__vectorT_OpenBabel__OBRing_p_std__allocatorT_OpenBabel__OBRing_p_t_t__iterator, 0, 0, 0},{0, 0, 0, 0}};
40150 static swig_cast_info _swigc__p_std__vectorT_OpenBabel__OBRing_std__allocatorT_OpenBabel__OBRing_t_t[] = {  {&_swigt__p_std__vectorT_OpenBabel__OBRing_std__allocatorT_OpenBabel__OBRing_t_t, 0, 0, 0},{0, 0, 0, 0}};
40151 static swig_cast_info _swigc__p_std__vectorT_OpenBabel__OBRotor_p_std__allocatorT_OpenBabel__OBRotor_p_t_t__iterator[] = {  {&_swigt__p_std__vectorT_OpenBabel__OBRotor_p_std__allocatorT_OpenBabel__OBRotor_p_t_t__iterator, 0, 0, 0},{0, 0, 0, 0}};
40152 static swig_cast_info _swigc__p_std__vectorT_OpenBabel__OBStereoUnit_std__allocatorT_OpenBabel__OBStereoUnit_t_t[] = {  {&_swigt__p_std__vectorT_OpenBabel__OBStereoUnit_std__allocatorT_OpenBabel__OBStereoUnit_t_t, 0, 0, 0},{0, 0, 0, 0}};
40153 static swig_cast_info _swigc__p_std__vectorT_OpenBabel__OBTetrahedralStereo_p_std__allocatorT_OpenBabel__OBTetrahedralStereo_p_t_t[] = {  {&_swigt__p_std__vectorT_OpenBabel__OBTetrahedralStereo_p_std__allocatorT_OpenBabel__OBTetrahedralStereo_p_t_t, 0, 0, 0},{0, 0, 0, 0}};
40154 static swig_cast_info _swigc__p_std__vectorT_OpenBabel__OBTorsion_std__allocatorT_OpenBabel__OBTorsion_t_t[] = {  {&_swigt__p_std__vectorT_OpenBabel__OBTorsion_std__allocatorT_OpenBabel__OBTorsion_t_t, 0, 0, 0},{0, 0, 0, 0}};
40155 static swig_cast_info _swigc__p_std__vectorT_OpenBabel__tripleT_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_double_t_std__allocatorT_OpenBabel__tripleT_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_double_t_t_t[] = {  {&_swigt__p_std__vectorT_OpenBabel__tripleT_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_double_t_std__allocatorT_OpenBabel__tripleT_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_double_t_t_t, 0, 0, 0},{0, 0, 0, 0}};
40156 static swig_cast_info _swigc__p_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t[] = {  {&_swigt__p_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t, 0, 0, 0},{0, 0, 0, 0}};
40157 static swig_cast_info _swigc__p_std__vectorT_double_p_std__allocatorT_double_p_t_t[] = {  {&_swigt__p_std__vectorT_double_p_std__allocatorT_double_p_t_t, 0, 0, 0},{0, 0, 0, 0}};
40158 static swig_cast_info _swigc__p_std__vectorT_double_p_std__allocatorT_double_p_t_t__iterator[] = {  {&_swigt__p_std__vectorT_double_p_std__allocatorT_double_p_t_t__iterator, 0, 0, 0},{0, 0, 0, 0}};
40159 static swig_cast_info _swigc__p_std__vectorT_double_std__allocatorT_double_t_t[] = {  {&_swigt__p_std__vectorT_double_std__allocatorT_double_t_t, 0, 0, 0},{0, 0, 0, 0}};
40160 static swig_cast_info _swigc__p_std__vectorT_double_std__allocatorT_double_t_t__iterator[] = {  {&_swigt__p_std__vectorT_double_std__allocatorT_double_t_t__iterator, 0, 0, 0},{0, 0, 0, 0}};
40161 static swig_cast_info _swigc__p_std__vectorT_int_std__allocatorT_int_t_t[] = {  {&_swigt__p_std__vectorT_int_std__allocatorT_int_t_t, 0, 0, 0},{0, 0, 0, 0}};
40162 static swig_cast_info _swigc__p_std__vectorT_std__pairT_int_int_t_std__allocatorT_std__pairT_int_int_t_t_t[] = {  {&_swigt__p_std__vectorT_std__pairT_int_int_t_std__allocatorT_std__pairT_int_int_t_t_t, 0, 0, 0},{0, 0, 0, 0}};
40163 static swig_cast_info _swigc__p_std__vectorT_std__pairT_std__string_std__string_t_std__allocatorT_std__pairT_std__string_std__string_t_t_t[] = {  {&_swigt__p_std__vectorT_std__pairT_std__string_std__string_t_std__allocatorT_std__pairT_std__string_std__string_t_t_t, 0, 0, 0},{0, 0, 0, 0}};
40164 static swig_cast_info _swigc__p_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t[] = {  {&_swigt__p_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t, 0, 0, 0},{0, 0, 0, 0}};
40165 static swig_cast_info _swigc__p_std__vectorT_std__string_std__allocatorT_std__string_t_t[] = {  {&_swigt__p_std__vectorT_std__string_std__allocatorT_std__string_t_t, 0, 0, 0},{0, 0, 0, 0}};
40166 static swig_cast_info _swigc__p_std__vectorT_std__vectorT_OpenBabel__OBStereoUnit_std__allocatorT_OpenBabel__OBStereoUnit_t_t_std__allocatorT_std__vectorT_OpenBabel__OBStereoUnit_std__allocatorT_OpenBabel__OBStereoUnit_t_t_t_t[] = {  {&_swigt__p_std__vectorT_std__vectorT_OpenBabel__OBStereoUnit_std__allocatorT_OpenBabel__OBStereoUnit_t_t_std__allocatorT_std__vectorT_OpenBabel__OBStereoUnit_std__allocatorT_OpenBabel__OBStereoUnit_t_t_t_t, 0, 0, 0},{0, 0, 0, 0}};
40167 static swig_cast_info _swigc__p_std__vectorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_std__allocatorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_t_t[] = {  {&_swigt__p_std__vectorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_std__allocatorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_t_t, 0, 0, 0},{0, 0, 0, 0}};
40168 static swig_cast_info _swigc__p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t[] = {  {&_swigt__p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t, 0, 0, 0},{0, 0, 0, 0}};
40169 static swig_cast_info _swigc__p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t__iterator[] = {  {&_swigt__p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t__iterator, 0, 0, 0},{0, 0, 0, 0}};
40170 static swig_cast_info _swigc__p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t[] = {  {&_swigt__p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t, 0, 0, 0},{0, 0, 0, 0}};
40171 static swig_cast_info _swigc__p_std__vectorT_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t_std__allocatorT_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t_t_t[] = {  {&_swigt__p_std__vectorT_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t_std__allocatorT_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t_t_t, 0, 0, 0},{0, 0, 0, 0}};
40172 static swig_cast_info _swigc__p_std__vectorT_uint32_t_std__allocatorT_uint32_t_t_t[] = {  {&_swigt__p_std__vectorT_uint32_t_std__allocatorT_uint32_t_t_t, 0, 0, 0},{0, 0, 0, 0}};
40173 static swig_cast_info _swigc__p_std__vectorT_unsigned_char_p_std__allocatorT_unsigned_char_p_t_t__iterator[] = {  {&_swigt__p_std__vectorT_unsigned_char_p_std__allocatorT_unsigned_char_p_t_t__iterator, 0, 0, 0},{0, 0, 0, 0}};
40174 static swig_cast_info _swigc__p_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t[] = {  {&_swigt__p_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t, 0, 0, 0},{0, 0, 0, 0}};
40175 static swig_cast_info _swigc__p_std__vectorT_unsigned_long_std__allocatorT_unsigned_long_t_t[] = {  {&_swigt__p_std__vectorT_unsigned_long_std__allocatorT_unsigned_long_t_t, 0, 0, 0},{0, 0, 0, 0}};
40176 static swig_cast_info _swigc__p_std__vectorT_unsigned_short_std__allocatorT_unsigned_short_t_t[] = {  {&_swigt__p_std__vectorT_unsigned_short_std__allocatorT_unsigned_short_t_t, 0, 0, 0},{0, 0, 0, 0}};
40177 static swig_cast_info _swigc__p_stringp[] = {  {&_swigt__p_stringp, 0, 0, 0},{0, 0, 0, 0}};
40178 static swig_cast_info _swigc__p_unsigned_int[] = {  {&_swigt__p_unsigned_int, 0, 0, 0},{0, 0, 0, 0}};
40179 static swig_cast_info _swigc__p_value_type[] = {  {&_swigt__p_value_type, 0, 0, 0},{0, 0, 0, 0}};
40180 static swig_cast_info _swigc__p_void[] = {  {&_swigt__p_void, 0, 0, 0},{0, 0, 0, 0}};
40181 static swig_cast_info _swigc__p_word_vector[] = {  {&_swigt__p_word_vector, 0, 0, 0},{0, 0, 0, 0}};
40182 
40183 static swig_cast_info *swig_cast_initial[] = {
40184   _swigc__p_ConstRefIter,
40185   _swigc__p_Mapping,
40186   _swigc__p_Mappings,
40187   _swigc__p_OpMap,
40188   _swigc__p_OpenBabel__AliasData,
40189   _swigc__p_OpenBabel__CharPtrLess,
40190   _swigc__p_OpenBabel__DoubleType,
40191   _swigc__p_OpenBabel__FastSearch,
40192   _swigc__p_OpenBabel__FastSearchIndexer,
40193   _swigc__p_OpenBabel__FptIndex,
40194   _swigc__p_OpenBabel__FptIndexHeader,
40195   _swigc__p_OpenBabel__LineSearchType,
40196   _swigc__p_OpenBabel__OBAlign,
40197   _swigc__p_OpenBabel__OBAngle,
40198   _swigc__p_OpenBabel__OBAngleData,
40199   _swigc__p_OpenBabel__OBAromaticTyper,
40200   _swigc__p_OpenBabel__OBAtom,
40201   _swigc__p_OpenBabel__OBAtomAtomIter,
40202   _swigc__p_OpenBabel__OBAtomBondIter,
40203   _swigc__p_OpenBabel__OBAtomClassData,
40204   _swigc__p_OpenBabel__OBAtomHOF,
40205   _swigc__p_OpenBabel__OBAtomTyper,
40206   _swigc__p_OpenBabel__OBAtomicHeatOfFormationTable,
40207   _swigc__p_OpenBabel__OBBase,
40208   _swigc__p_OpenBabel__OBBitVec,
40209   _swigc__p_OpenBabel__OBBond,
40210   _swigc__p_OpenBabel__OBBuilder,
40211   _swigc__p_OpenBabel__OBChainsParser,
40212   _swigc__p_OpenBabel__OBChargeModel,
40213   _swigc__p_OpenBabel__OBChiralData,
40214   _swigc__p_OpenBabel__OBCisTransConfig,
40215   _swigc__p_OpenBabel__OBCisTransStereo,
40216   _swigc__p_OpenBabel__OBCommentData,
40217   _swigc__p_OpenBabel__OBConformerData,
40218   _swigc__p_OpenBabel__OBConformerFilter,
40219   _swigc__p_OpenBabel__OBConformerFilters,
40220   _swigc__p_OpenBabel__OBConformerScore,
40221   _swigc__p_OpenBabel__OBConformerSearch,
40222   _swigc__p_OpenBabel__OBConversion,
40223   _swigc__p_OpenBabel__OBDOSData,
40224   _swigc__p_OpenBabel__OBDescriptor,
40225   _swigc__p_OpenBabel__OBElectronicTransitionData,
40226   _swigc__p_OpenBabel__OBElement,
40227   _swigc__p_OpenBabel__OBElementTable,
40228   _swigc__p_OpenBabel__OBEnergyConformerScore,
40229   _swigc__p_OpenBabel__OBError,
40230   _swigc__p_OpenBabel__OBExternalBond,
40231   _swigc__p_OpenBabel__OBExternalBondData,
40232   _swigc__p_OpenBabel__OBFFCalculation2,
40233   _swigc__p_OpenBabel__OBFFCalculation3,
40234   _swigc__p_OpenBabel__OBFFCalculation4,
40235   _swigc__p_OpenBabel__OBFFConstraint,
40236   _swigc__p_OpenBabel__OBFFConstraints,
40237   _swigc__p_OpenBabel__OBFFParameter,
40238   _swigc__p_OpenBabel__OBFingerprint,
40239   _swigc__p_OpenBabel__OBForceField,
40240   _swigc__p_OpenBabel__OBFormat,
40241   _swigc__p_OpenBabel__OBFreeGrid,
40242   _swigc__p_OpenBabel__OBFreeGridPoint,
40243   _swigc__p_OpenBabel__OBGenericData,
40244   _swigc__p_OpenBabel__OBGlobalDataBase,
40245   _swigc__p_OpenBabel__OBGraphSym,
40246   _swigc__p_OpenBabel__OBGridData,
40247   _swigc__p_OpenBabel__OBInternalCoord,
40248   _swigc__p_OpenBabel__OBIsomorphismMapper,
40249   _swigc__p_OpenBabel__OBIsomorphismMapper__Functor,
40250   _swigc__p_OpenBabel__OBIsotopeTable,
40251   _swigc__p_OpenBabel__OBMatrixData,
40252   _swigc__p_OpenBabel__OBMessageHandler,
40253   _swigc__p_OpenBabel__OBMinimizingEnergyConformerScore,
40254   _swigc__p_OpenBabel__OBMinimizingRMSDConformerScore,
40255   _swigc__p_OpenBabel__OBMol,
40256   _swigc__p_OpenBabel__OBMolAngleIter,
40257   _swigc__p_OpenBabel__OBMolAtomBFSIter,
40258   _swigc__p_OpenBabel__OBMolAtomDFSIter,
40259   _swigc__p_OpenBabel__OBMolAtomIter,
40260   _swigc__p_OpenBabel__OBMolBondBFSIter,
40261   _swigc__p_OpenBabel__OBMolBondIter,
40262   _swigc__p_OpenBabel__OBMolPairIter,
40263   _swigc__p_OpenBabel__OBMolRingIter,
40264   _swigc__p_OpenBabel__OBMolTorsionIter,
40265   _swigc__p_OpenBabel__OBNasaThermoData,
40266   _swigc__p_OpenBabel__OBOp,
40267   _swigc__p_OpenBabel__OBOrbital,
40268   _swigc__p_OpenBabel__OBOrbitalData,
40269   _swigc__p_OpenBabel__OBPairData,
40270   _swigc__p_OpenBabel__OBPairTemplateT_bool_t,
40271   _swigc__p_OpenBabel__OBPairTemplateT_double_t,
40272   _swigc__p_OpenBabel__OBPairTemplateT_int_t,
40273   _swigc__p_OpenBabel__OBPlugin,
40274   _swigc__p_OpenBabel__OBPlugin__PluginMapType__const_iterator,
40275   _swigc__p_OpenBabel__OBQuery,
40276   _swigc__p_OpenBabel__OBQueryAtom,
40277   _swigc__p_OpenBabel__OBQueryBond,
40278   _swigc__p_OpenBabel__OBRMSDConformerScore,
40279   _swigc__p_OpenBabel__OBRTree,
40280   _swigc__p_OpenBabel__OBRandom,
40281   _swigc__p_OpenBabel__OBRateData,
40282   _swigc__p_OpenBabel__OBReaction,
40283   _swigc__p_OpenBabel__OBResidue,
40284   _swigc__p_OpenBabel__OBResidueAtomIter,
40285   _swigc__p_OpenBabel__OBResidueData,
40286   _swigc__p_OpenBabel__OBResidueIter,
40287   _swigc__p_OpenBabel__OBRing,
40288   _swigc__p_OpenBabel__OBRingData,
40289   _swigc__p_OpenBabel__OBRingSearch,
40290   _swigc__p_OpenBabel__OBRingTyper,
40291   _swigc__p_OpenBabel__OBRotamerList,
40292   _swigc__p_OpenBabel__OBRotationData,
40293   _swigc__p_OpenBabel__OBRotor,
40294   _swigc__p_OpenBabel__OBRotorKeys,
40295   _swigc__p_OpenBabel__OBRotorList,
40296   _swigc__p_OpenBabel__OBRotorRule,
40297   _swigc__p_OpenBabel__OBRotorRules,
40298   _swigc__p_OpenBabel__OBSSMatch,
40299   _swigc__p_OpenBabel__OBSerialNums,
40300   _swigc__p_OpenBabel__OBSetData,
40301   _swigc__p_OpenBabel__OBSmartsMatcher,
40302   _swigc__p_OpenBabel__OBSmartsPattern,
40303   _swigc__p_OpenBabel__OBSpectrophore,
40304   _swigc__p_OpenBabel__OBSqrtTbl,
40305   _swigc__p_OpenBabel__OBSquarePlanarConfig,
40306   _swigc__p_OpenBabel__OBSquarePlanarStereo,
40307   _swigc__p_OpenBabel__OBStereo,
40308   _swigc__p_OpenBabel__OBStereoBase,
40309   _swigc__p_OpenBabel__OBStereoFacade,
40310   _swigc__p_OpenBabel__OBStereoUnit,
40311   _swigc__p_OpenBabel__OBStericConformerFilter,
40312   _swigc__p_OpenBabel__OBStopwatch,
40313   _swigc__p_OpenBabel__OBSymmetryData,
40314   _swigc__p_OpenBabel__OBTetraNonPlanarStereo,
40315   _swigc__p_OpenBabel__OBTetraPlanarStereo,
40316   _swigc__p_OpenBabel__OBTetrahedralConfig,
40317   _swigc__p_OpenBabel__OBTetrahedralStereo,
40318   _swigc__p_OpenBabel__OBTorsion,
40319   _swigc__p_OpenBabel__OBTorsionData,
40320   _swigc__p_OpenBabel__OBTypeTable,
40321   _swigc__p_OpenBabel__OBUnitCell,
40322   _swigc__p_OpenBabel__OBVectorData,
40323   _swigc__p_OpenBabel__OBVibrationData,
40324   _swigc__p_OpenBabel__OBVirtualBond,
40325   _swigc__p_OpenBabel__Pattern,
40326   _swigc__p_OpenBabel__SpaceGroup,
40327   _swigc__p_OpenBabel__Template,
40328   _swigc__p_OpenBabel__matrix3x3,
40329   _swigc__p_OpenBabel__obLogBuf,
40330   _swigc__p_OpenBabel__quadT_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t,
40331   _swigc__p_OpenBabel__rotor_digit,
40332   _swigc__p_OpenBabel__transform3d,
40333   _swigc__p_OpenBabel__tripleT_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t,
40334   _swigc__p_OpenBabel__vector3,
40335   _swigc__p_PluginIterator,
40336   _swigc__p_PluginMapType,
40337   _swigc__p_Ref,
40338   _swigc__p_RefIter,
40339   _swigc__p_Refs,
40340   _swigc__p_Unit,
40341   _swigc__p_a_3__double,
40342   _swigc__p_a_4__char,
40343   _swigc__p_allocator_type,
40344   _swigc__p_char,
40345   _swigc__p_const_reference,
40346   _swigc__p_difference_type,
40347   _swigc__p_double,
40348   _swigc__p_first_type,
40349   _swigc__p_int,
40350   _swigc__p_obsharedptrT_OpenBabel__OBMol_t,
40351   _swigc__p_p_OpenBabel__OBChargeModel,
40352   _swigc__p_p_OpenBabel__OBDescriptor,
40353   _swigc__p_p_OpenBabel__OBFingerprint,
40354   _swigc__p_p_OpenBabel__OBForceField,
40355   _swigc__p_p_OpenBabel__OBFormat,
40356   _swigc__p_p_OpenBabel__OBOp,
40357   _swigc__p_p_double,
40358   _swigc__p_p_int,
40359   _swigc__p_reference,
40360   _swigc__p_second_type,
40361   _swigc__p_size_type,
40362   _swigc__p_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t,
40363   _swigc__p_std__binary_functionT_char_const_p_char_const_p_bool_t,
40364   _swigc__p_std__dequeT_int_t,
40365   _swigc__p_std__istream,
40366   _swigc__p_std__listT_OpenBabel__transform3d_p_t__const_iterator,
40367   _swigc__p_std__listT_OpenBabel__vector3_t,
40368   _swigc__p_std__mapT_OpenBabel__OBBond_p_OpenBabel__OBStereo__BondDirection_std__lessT_OpenBabel__OBBond_p_t_std__allocatorT_std__pairT_OpenBabel__OBBond_pconst_OpenBabel__OBStereo__BondDirection_t_t_t,
40369   _swigc__p_std__mapT_OpenBabel__OBBond_p_unsigned_long_std__lessT_OpenBabel__OBBond_p_t_std__allocatorT_std__pairT_OpenBabel__OBBond_pconst_unsigned_long_t_t_t,
40370   _swigc__p_std__mapT_char_const_p_OpenBabel__OBPlugin_p_OpenBabel__CharPtrLess_std__allocatorT_std__pairT_char_const_pconst_OpenBabel__OBPlugin_p_t_t_t,
40371   _swigc__p_std__mapT_int_OpenBabel__OBAtom_p_std__lessT_int_t_std__allocatorT_std__pairT_int_const_OpenBabel__OBAtom_p_t_t_t,
40372   _swigc__p_std__mapT_std__string_std__string_std__lessT_std__string_t_std__allocatorT_std__pairT_std__string_const_std__string_t_t_t,
40373   _swigc__p_std__mapT_std__vectorT_int_std__allocatorT_int_t_t_double_std__lessT_std__vectorT_int_t_t_std__allocatorT_std__pairT_std__vectorT_int_std__allocatorT_int_t_t_const_double_t_t_t,
40374   _swigc__p_std__multimapT_double_unsigned_int_t,
40375   _swigc__p_std__ostream,
40376   _swigc__p_std__ostringstream,
40377   _swigc__p_std__pairT_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_t,
40378   _swigc__p_std__pairT_int_int_t,
40379   _swigc__p_std__pairT_std__string_std__string_t,
40380   _swigc__p_std__pairT_unsigned_int_unsigned_int_t,
40381   _swigc__p_std__setT_OpenBabel__OBBond_p_t,
40382   _swigc__p_std__streampos,
40383   _swigc__p_std__string,
40384   _swigc__p_std__stringbuf,
40385   _swigc__p_std__type_info,
40386   _swigc__p_std__vectorT_OpenBabel__OBAtom_p_std__allocatorT_OpenBabel__OBAtom_p_t_t,
40387   _swigc__p_std__vectorT_OpenBabel__OBAtom_p_std__allocatorT_OpenBabel__OBAtom_p_t_t__iterator,
40388   _swigc__p_std__vectorT_OpenBabel__OBBase_p_std__allocatorT_OpenBabel__OBBase_p_t_t,
40389   _swigc__p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t,
40390   _swigc__p_std__vectorT_OpenBabel__OBBond_p_std__allocatorT_OpenBabel__OBBond_p_t_t__iterator,
40391   _swigc__p_std__vectorT_OpenBabel__OBBond_std__allocatorT_OpenBabel__OBBond_t_t,
40392   _swigc__p_std__vectorT_OpenBabel__OBCisTransStereo_p_std__allocatorT_OpenBabel__OBCisTransStereo_p_t_t,
40393   _swigc__p_std__vectorT_OpenBabel__OBConformerFilter_p_std__allocatorT_OpenBabel__OBConformerFilter_p_t_t,
40394   _swigc__p_std__vectorT_OpenBabel__OBExternalBond_std__allocatorT_OpenBabel__OBExternalBond_t_t,
40395   _swigc__p_std__vectorT_OpenBabel__OBFreeGridPoint_p_std__allocatorT_OpenBabel__OBFreeGridPoint_p_t_t__iterator,
40396   _swigc__p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t,
40397   _swigc__p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t__iterator,
40398   _swigc__p_std__vectorT_OpenBabel__OBInternalCoord_p_std__allocatorT_OpenBabel__OBInternalCoord_p_t_t,
40399   _swigc__p_std__vectorT_OpenBabel__OBInternalCoord_p_std__allocatorT_OpenBabel__OBInternalCoord_p_t_t__iterator,
40400   _swigc__p_std__vectorT_OpenBabel__OBMol_std__allocatorT_OpenBabel__OBMol_t_t,
40401   _swigc__p_std__vectorT_OpenBabel__OBOrbital_std__allocatorT_OpenBabel__OBOrbital_t_t,
40402   _swigc__p_std__vectorT_OpenBabel__OBQueryAtom_p_std__allocatorT_OpenBabel__OBQueryAtom_p_t_t,
40403   _swigc__p_std__vectorT_OpenBabel__OBQueryBond_p_std__allocatorT_OpenBabel__OBQueryBond_p_t_t,
40404   _swigc__p_std__vectorT_OpenBabel__OBResidue_p_std__allocatorT_OpenBabel__OBResidue_p_t_t__iterator,
40405   _swigc__p_std__vectorT_OpenBabel__OBResidue_std__allocatorT_OpenBabel__OBResidue_t_t,
40406   _swigc__p_std__vectorT_OpenBabel__OBRing_p_std__allocatorT_OpenBabel__OBRing_p_t_t,
40407   _swigc__p_std__vectorT_OpenBabel__OBRing_p_std__allocatorT_OpenBabel__OBRing_p_t_t__iterator,
40408   _swigc__p_std__vectorT_OpenBabel__OBRing_std__allocatorT_OpenBabel__OBRing_t_t,
40409   _swigc__p_std__vectorT_OpenBabel__OBRotor_p_std__allocatorT_OpenBabel__OBRotor_p_t_t__iterator,
40410   _swigc__p_std__vectorT_OpenBabel__OBStereoUnit_std__allocatorT_OpenBabel__OBStereoUnit_t_t,
40411   _swigc__p_std__vectorT_OpenBabel__OBTetrahedralStereo_p_std__allocatorT_OpenBabel__OBTetrahedralStereo_p_t_t,
40412   _swigc__p_std__vectorT_OpenBabel__OBTorsion_std__allocatorT_OpenBabel__OBTorsion_t_t,
40413   _swigc__p_std__vectorT_OpenBabel__tripleT_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_double_t_std__allocatorT_OpenBabel__tripleT_OpenBabel__OBAtom_p_OpenBabel__OBAtom_p_double_t_t_t,
40414   _swigc__p_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t,
40415   _swigc__p_std__vectorT_double_p_std__allocatorT_double_p_t_t,
40416   _swigc__p_std__vectorT_double_p_std__allocatorT_double_p_t_t__iterator,
40417   _swigc__p_std__vectorT_double_std__allocatorT_double_t_t,
40418   _swigc__p_std__vectorT_double_std__allocatorT_double_t_t__iterator,
40419   _swigc__p_std__vectorT_int_std__allocatorT_int_t_t,
40420   _swigc__p_std__vectorT_std__pairT_int_int_t_std__allocatorT_std__pairT_int_int_t_t_t,
40421   _swigc__p_std__vectorT_std__pairT_std__string_std__string_t_std__allocatorT_std__pairT_std__string_std__string_t_t_t,
40422   _swigc__p_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t,
40423   _swigc__p_std__vectorT_std__string_std__allocatorT_std__string_t_t,
40424   _swigc__p_std__vectorT_std__vectorT_OpenBabel__OBStereoUnit_std__allocatorT_OpenBabel__OBStereoUnit_t_t_std__allocatorT_std__vectorT_OpenBabel__OBStereoUnit_std__allocatorT_OpenBabel__OBStereoUnit_t_t_t_t,
40425   _swigc__p_std__vectorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_std__allocatorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_t_t,
40426   _swigc__p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t,
40427   _swigc__p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t__iterator,
40428   _swigc__p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t,
40429   _swigc__p_std__vectorT_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t_std__allocatorT_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t_t_t,
40430   _swigc__p_std__vectorT_uint32_t_std__allocatorT_uint32_t_t_t,
40431   _swigc__p_std__vectorT_unsigned_char_p_std__allocatorT_unsigned_char_p_t_t__iterator,
40432   _swigc__p_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t,
40433   _swigc__p_std__vectorT_unsigned_long_std__allocatorT_unsigned_long_t_t,
40434   _swigc__p_std__vectorT_unsigned_short_std__allocatorT_unsigned_short_t_t,
40435   _swigc__p_stringp,
40436   _swigc__p_unsigned_int,
40437   _swigc__p_value_type,
40438   _swigc__p_void,
40439   _swigc__p_word_vector,
40440 };
40441 
40442 
40443 /* -------- TYPE CONVERSION AND EQUIVALENCE RULES (END) -------- */
40444 
40445 
40446 /* -----------------------------------------------------------------------------
40447  * Type initialization:
40448  * This problem is tough by the requirement that no dynamic
40449  * memory is used. Also, since swig_type_info structures store pointers to
40450  * swig_cast_info structures and swig_cast_info structures store pointers back
40451  * to swig_type_info structures, we need some lookup code at initialization.
40452  * The idea is that swig generates all the structures that are needed.
40453  * The runtime then collects these partially filled structures.
40454  * The SWIG_InitializeModule function takes these initial arrays out of
40455  * swig_module, and does all the lookup, filling in the swig_module.types
40456  * array with the correct data and linking the correct swig_cast_info
40457  * structures together.
40458  *
40459  * The generated swig_type_info structures are assigned staticly to an initial
40460  * array. We just loop through that array, and handle each type individually.
40461  * First we lookup if this type has been already loaded, and if so, use the
40462  * loaded structure instead of the generated one. Then we have to fill in the
40463  * cast linked list. The cast data is initially stored in something like a
40464  * two-dimensional array. Each row corresponds to a type (there are the same
40465  * number of rows as there are in the swig_type_initial array). Each entry in
40466  * a column is one of the swig_cast_info structures for that type.
40467  * The cast_initial array is actually an array of arrays, because each row has
40468  * a variable number of columns. So to actually build the cast linked list,
40469  * we find the array of casts associated with the type, and loop through it
40470  * adding the casts to the list. The one last trick we need to do is making
40471  * sure the type pointer in the swig_cast_info struct is correct.
40472  *
40473  * First off, we lookup the cast->type name to see if it is already loaded.
40474  * There are three cases to handle:
40475  *  1) If the cast->type has already been loaded AND the type we are adding
40476  *     casting info to has not been loaded (it is in this module), THEN we
40477  *     replace the cast->type pointer with the type pointer that has already
40478  *     been loaded.
40479  *  2) If BOTH types (the one we are adding casting info to, and the
40480  *     cast->type) are loaded, THEN the cast info has already been loaded by
40481  *     the previous module so we just ignore it.
40482  *  3) Finally, if cast->type has not already been loaded, then we add that
40483  *     swig_cast_info to the linked list (because the cast->type) pointer will
40484  *     be correct.
40485  * ----------------------------------------------------------------------------- */
40486 
40487 #ifdef __cplusplus
40488 extern "C" {
40489 #if 0
40490 } /* c-mode */
40491 #endif
40492 #endif
40493 
40494 #if 0
40495 #define SWIGRUNTIME_DEBUG
40496 #endif
40497 
40498 
40499 SWIGRUNTIME void
SWIG_InitializeModule(void * clientdata)40500 SWIG_InitializeModule(void *clientdata) {
40501   size_t i;
40502   swig_module_info *module_head, *iter;
40503   int found, init;
40504 
40505   /* check to see if the circular list has been setup, if not, set it up */
40506   if (swig_module.next==0) {
40507     /* Initialize the swig_module */
40508     swig_module.type_initial = swig_type_initial;
40509     swig_module.cast_initial = swig_cast_initial;
40510     swig_module.next = &swig_module;
40511     init = 1;
40512   } else {
40513     init = 0;
40514   }
40515 
40516   /* Try and load any already created modules */
40517   module_head = SWIG_GetModule(clientdata);
40518   if (!module_head) {
40519     /* This is the first module loaded for this interpreter */
40520     /* so set the swig module into the interpreter */
40521     SWIG_SetModule(clientdata, &swig_module);
40522     module_head = &swig_module;
40523   } else {
40524     /* the interpreter has loaded a SWIG module, but has it loaded this one? */
40525     found=0;
40526     iter=module_head;
40527     do {
40528       if (iter==&swig_module) {
40529         found=1;
40530         break;
40531       }
40532       iter=iter->next;
40533     } while (iter!= module_head);
40534 
40535     /* if the is found in the list, then all is done and we may leave */
40536     if (found) return;
40537     /* otherwise we must add out module into the list */
40538     swig_module.next = module_head->next;
40539     module_head->next = &swig_module;
40540   }
40541 
40542   /* When multiple interpreters are used, a module could have already been initialized in
40543      a different interpreter, but not yet have a pointer in this interpreter.
40544      In this case, we do not want to continue adding types... everything should be
40545      set up already */
40546   if (init == 0) return;
40547 
40548   /* Now work on filling in swig_module.types */
40549 #ifdef SWIGRUNTIME_DEBUG
40550   printf("SWIG_InitializeModule: size %d\n", swig_module.size);
40551 #endif
40552   for (i = 0; i < swig_module.size; ++i) {
40553     swig_type_info *type = 0;
40554     swig_type_info *ret;
40555     swig_cast_info *cast;
40556 
40557 #ifdef SWIGRUNTIME_DEBUG
40558     printf("SWIG_InitializeModule: type %d %s\n", i, swig_module.type_initial[i]->name);
40559 #endif
40560 
40561     /* if there is another module already loaded */
40562     if (swig_module.next != &swig_module) {
40563       type = SWIG_MangledTypeQueryModule(swig_module.next, &swig_module, swig_module.type_initial[i]->name);
40564     }
40565     if (type) {
40566       /* Overwrite clientdata field */
40567 #ifdef SWIGRUNTIME_DEBUG
40568       printf("SWIG_InitializeModule: found type %s\n", type->name);
40569 #endif
40570       if (swig_module.type_initial[i]->clientdata) {
40571 	type->clientdata = swig_module.type_initial[i]->clientdata;
40572 #ifdef SWIGRUNTIME_DEBUG
40573       printf("SWIG_InitializeModule: found and overwrite type %s \n", type->name);
40574 #endif
40575       }
40576     } else {
40577       type = swig_module.type_initial[i];
40578     }
40579 
40580     /* Insert casting types */
40581     cast = swig_module.cast_initial[i];
40582     while (cast->type) {
40583 
40584       /* Don't need to add information already in the list */
40585       ret = 0;
40586 #ifdef SWIGRUNTIME_DEBUG
40587       printf("SWIG_InitializeModule: look cast %s\n", cast->type->name);
40588 #endif
40589       if (swig_module.next != &swig_module) {
40590         ret = SWIG_MangledTypeQueryModule(swig_module.next, &swig_module, cast->type->name);
40591 #ifdef SWIGRUNTIME_DEBUG
40592 	if (ret) printf("SWIG_InitializeModule: found cast %s\n", ret->name);
40593 #endif
40594       }
40595       if (ret) {
40596 	if (type == swig_module.type_initial[i]) {
40597 #ifdef SWIGRUNTIME_DEBUG
40598 	  printf("SWIG_InitializeModule: skip old type %s\n", ret->name);
40599 #endif
40600 	  cast->type = ret;
40601 	  ret = 0;
40602 	} else {
40603 	  /* Check for casting already in the list */
40604 	  swig_cast_info *ocast = SWIG_TypeCheck(ret->name, type);
40605 #ifdef SWIGRUNTIME_DEBUG
40606 	  if (ocast) printf("SWIG_InitializeModule: skip old cast %s\n", ret->name);
40607 #endif
40608 	  if (!ocast) ret = 0;
40609 	}
40610       }
40611 
40612       if (!ret) {
40613 #ifdef SWIGRUNTIME_DEBUG
40614 	printf("SWIG_InitializeModule: adding cast %s\n", cast->type->name);
40615 #endif
40616         if (type->cast) {
40617           type->cast->prev = cast;
40618           cast->next = type->cast;
40619         }
40620         type->cast = cast;
40621       }
40622       cast++;
40623     }
40624     /* Set entry in modules->types array equal to the type */
40625     swig_module.types[i] = type;
40626   }
40627   swig_module.types[i] = 0;
40628 
40629 #ifdef SWIGRUNTIME_DEBUG
40630   printf("**** SWIG_InitializeModule: Cast List ******\n");
40631   for (i = 0; i < swig_module.size; ++i) {
40632     int j = 0;
40633     swig_cast_info *cast = swig_module.cast_initial[i];
40634     printf("SWIG_InitializeModule: type %d %s\n", i, swig_module.type_initial[i]->name);
40635     while (cast->type) {
40636       printf("SWIG_InitializeModule: cast type %s\n", cast->type->name);
40637       cast++;
40638       ++j;
40639     }
40640   printf("---- Total casts: %d\n",j);
40641   }
40642   printf("**** SWIG_InitializeModule: Cast List ******\n");
40643 #endif
40644 }
40645 
40646 /* This function will propagate the clientdata field of type to
40647 * any new swig_type_info structures that have been added into the list
40648 * of equivalent types.  It is like calling
40649 * SWIG_TypeClientData(type, clientdata) a second time.
40650 */
40651 SWIGRUNTIME void
SWIG_PropagateClientData(void)40652 SWIG_PropagateClientData(void) {
40653   size_t i;
40654   swig_cast_info *equiv;
40655   static int init_run = 0;
40656 
40657   if (init_run) return;
40658   init_run = 1;
40659 
40660   for (i = 0; i < swig_module.size; i++) {
40661     if (swig_module.types[i]->clientdata) {
40662       equiv = swig_module.types[i]->cast;
40663       while (equiv) {
40664         if (!equiv->converter) {
40665           if (equiv->type && !equiv->type->clientdata)
40666             SWIG_TypeClientData(equiv->type, swig_module.types[i]->clientdata);
40667         }
40668         equiv = equiv->next;
40669       }
40670     }
40671   }
40672 }
40673 
40674 #ifdef __cplusplus
40675 #if 0
40676 { /* c-mode */
40677 #endif
40678 }
40679 #endif
40680 
40681 
SWIG_init(void)40682 SWIGEXPORT void SWIG_init(void) {
40683 
40684 }
40685 #ifdef __cplusplus
40686 extern "C" {
40687 #endif
40688 
40689 #include <R_ext/Rdynload.h>
40690 
40691 #ifdef __cplusplus
40692 }
40693 #endif
40694 
40695 SWIGINTERN R_CallMethodDef CallEntries[] = {
40696    {"R_swig_OBFFConstraint_constraint_value_get", (DL_FUNC) &R_swig_OBFFConstraint_constraint_value_get, 2},
40697    {"R_swig_Residue_get", (DL_FUNC) &R_swig_Residue_get, 1},
40698    {"R_swig_OBRingSearch_RemoveRedundant", (DL_FUNC) &R_swig_OBRingSearch_RemoveRedundant, 2},
40699    {"R_swig_OBTetrahedralConfig_view_get", (DL_FUNC) &R_swig_OBTetrahedralConfig_view_get, 2},
40700    {"R_swig_OBConversion_IsLast", (DL_FUNC) &R_swig_OBConversion_IsLast, 2},
40701    {"R_swig_OBBond_SetWedge", (DL_FUNC) &R_swig_OBBond_SetWedge, 1},
40702    {"R_swig_OBBond_UnsetWedge", (DL_FUNC) &R_swig_OBBond_UnsetWedge, 1},
40703    {"R_swig_OBMolBondBFSIter_SetWedge", (DL_FUNC) &R_swig_OBMolBondBFSIter_SetWedge, 1},
40704    {"R_swig_OBMolBondBFSIter_UnsetWedge", (DL_FUNC) &R_swig_OBMolBondBFSIter_UnsetWedge, 1},
40705    {"R_swig_OBMolBondIter_SetWedge", (DL_FUNC) &R_swig_OBMolBondIter_SetWedge, 1},
40706    {"R_swig_OBMolBondIter_UnsetWedge", (DL_FUNC) &R_swig_OBMolBondIter_UnsetWedge, 1},
40707    {"R_swig_OBAtomBondIter_SetWedge", (DL_FUNC) &R_swig_OBAtomBondIter_SetWedge, 1},
40708    {"R_swig_OBAtomBondIter_UnsetWedge", (DL_FUNC) &R_swig_OBAtomBondIter_UnsetWedge, 1},
40709    {"R_swig_OBConversion_IsLastFile", (DL_FUNC) &R_swig_OBConversion_IsLastFile, 2},
40710    {"R_swig_OBRing_findCenterAndNormal", (DL_FUNC) &R_swig_OBRing_findCenterAndNormal, 5},
40711    {"R_swig_OBMolRingIter_findCenterAndNormal", (DL_FUNC) &R_swig_OBMolRingIter_findCenterAndNormal, 5},
40712    {"R_swig_OBElectronicTransitionData_GetWavelengths", (DL_FUNC) &R_swig_OBElectronicTransitionData_GetWavelengths, 2},
40713    {"R_swig_OBElement_GetName", (DL_FUNC) &R_swig_OBElement_GetName, 2},
40714    {"R_swig_OBElementTable_GetName", (DL_FUNC) &R_swig_OBElementTable_GetName, 3},
40715    {"R_swig_OBResidue_SetName", (DL_FUNC) &R_swig_OBResidue_SetName, 2},
40716    {"R_swig_OBResidue_GetName", (DL_FUNC) &R_swig_OBResidue_GetName, 2},
40717    {"R_swig_OBResidueIter_SetName", (DL_FUNC) &R_swig_OBResidueIter_SetName, 2},
40718    {"R_swig_OBResidueIter_GetName", (DL_FUNC) &R_swig_OBResidueIter_GetName, 2},
40719    {"R_swig_Minus", (DL_FUNC) &R_swig_Minus, 3},
40720    {"R_swig_pairUIntUInt_first_set", (DL_FUNC) &R_swig_pairUIntUInt_first_set, 2},
40721    {"R_swig_OBInternalCoord__dst_set", (DL_FUNC) &R_swig_OBInternalCoord__dst_set, 2},
40722    {"R_swig_OBMol_Has3D", (DL_FUNC) &R_swig_OBMol_Has3D, 2},
40723    {"R_swig_AliasData_RevertToAliasForm", (DL_FUNC) &R_swig_AliasData_RevertToAliasForm, 1},
40724    {"R_swig_OBConversion_CloseOutFile", (DL_FUNC) &R_swig_OBConversion_CloseOutFile, 1},
40725    {"R_swig_delete_obLogBuf", (DL_FUNC) &R_swig_delete_obLogBuf, 1},
40726    {"R_swig_new_obLogBuf", (DL_FUNC) &R_swig_new_obLogBuf, 0},
40727    {"R_swig_OBConformerData_GetData", (DL_FUNC) &R_swig_OBConformerData_GetData, 2},
40728    {"R_swig_OBConformerData_SetData", (DL_FUNC) &R_swig_OBConformerData_SetData, 2},
40729    {"R_swig_OBRingData_GetData", (DL_FUNC) &R_swig_OBRingData_GetData, 2},
40730    {"R_swig_OBRingData_SetData", (DL_FUNC) &R_swig_OBRingData_SetData, 2},
40731    {"R_swig_delete_OBSetData", (DL_FUNC) &R_swig_delete_OBSetData, 1},
40732    {"R_swig_OBSetData_SetData", (DL_FUNC) &R_swig_OBSetData_SetData, 2},
40733    {"R_swig_new_OBSetData", (DL_FUNC) &R_swig_new_OBSetData, 0},
40734    {"R_swig_OBExternalBondData_GetData", (DL_FUNC) &R_swig_OBExternalBondData_GetData, 1},
40735    {"R_swig_OBExternalBondData_SetData", (DL_FUNC) &R_swig_OBExternalBondData_SetData, 4},
40736    {"R_swig_OBCommentData_GetData", (DL_FUNC) &R_swig_OBCommentData_GetData, 2},
40737    {"R_swig_toSetData", (DL_FUNC) &R_swig_toSetData, 1},
40738    {"R_swig_OBTorsion_SetData", (DL_FUNC) &R_swig_OBTorsion_SetData, 3},
40739    {"R_swig_OBTorsionData_GetData", (DL_FUNC) &R_swig_OBTorsionData_GetData, 2},
40740    {"R_swig_OBTorsionData_SetData", (DL_FUNC) &R_swig_OBTorsionData_SetData, 2},
40741    {"R_swig_OBAngleData_SetData", (DL_FUNC) &R_swig_OBAngleData_SetData, 2},
40742    {"R_swig_OBSerialNums_GetData", (DL_FUNC) &R_swig_OBSerialNums_GetData, 2},
40743    {"R_swig_OBSerialNums_SetData", (DL_FUNC) &R_swig_OBSerialNums_SetData, 2},
40744    {"R_swig_OBDOSData_SetData", (DL_FUNC) &R_swig_OBDOSData_SetData, 5},
40745    {"R_swig_OBElectronicTransitionData_SetData", (DL_FUNC) &R_swig_OBElectronicTransitionData_SetData, 3},
40746    {"R_swig_OBRotationData_SetData", (DL_FUNC) &R_swig_OBRotationData_SetData, 4},
40747    {"R_swig_OBVectorData_GetData", (DL_FUNC) &R_swig_OBVectorData_GetData, 2},
40748    {"R_swig_OBMatrixData_SetData", (DL_FUNC) &R_swig_OBMatrixData_SetData, 2},
40749    {"R_swig_OBMatrixData_GetData", (DL_FUNC) &R_swig_OBMatrixData_GetData, 2},
40750    {"R_swig_OBFFConstraints_IsFixed", (DL_FUNC) &R_swig_OBFFConstraints_IsFixed, 3},
40751    {"R_swig_OBFFCalculation4_force_d_set", (DL_FUNC) &R_swig_OBFFCalculation4_force_d_set, 2},
40752    {"R_swig_OBFFCalculation4_pos_d_set", (DL_FUNC) &R_swig_OBFFCalculation4_pos_d_set, 2},
40753    {"R_swig_OBFFParameter__d_set", (DL_FUNC) &R_swig_OBFFParameter__d_set, 2},
40754    {"R_swig_OBFFConstraint_factor_get", (DL_FUNC) &R_swig_OBFFConstraint_factor_get, 2},
40755    {"R_swig_OBInternalCoord__tor_get", (DL_FUNC) &R_swig_OBInternalCoord__tor_get, 2},
40756    {"R_swig_vector3_distSq", (DL_FUNC) &R_swig_vector3_distSq, 3},
40757    {"R_swig_new_dummy", (DL_FUNC) &R_swig_new_dummy, 0},
40758    {"R_swig_delete_dummy", (DL_FUNC) &R_swig_delete_dummy, 1},
40759    {"R_swig_FastSearch_ReadIndexFile", (DL_FUNC) &R_swig_FastSearch_ReadIndexFile, 3},
40760    {"R_swig_OBConversion_OpenInAndOutFiles", (DL_FUNC) &R_swig_OBConversion_OpenInAndOutFiles, 4},
40761    {"R_swig_toNasaThermoData", (DL_FUNC) &R_swig_toNasaThermoData, 1},
40762    {"R_swig_delete_OBMolAngleIter", (DL_FUNC) &R_swig_delete_OBMolAngleIter, 1},
40763    {"R_swig_OBOp_OpOptions", (DL_FUNC) &R_swig_OBOp_OpOptions, 2},
40764    {"R_swig_OBConversion_GetOptions", (DL_FUNC) &R_swig_OBConversion_GetOptions, 2},
40765    {"R_swig_OBConversion_SetOptions", (DL_FUNC) &R_swig_OBConversion_SetOptions, 3},
40766    {"R_swig_OBConformerSearch_SetNicheMating", (DL_FUNC) &R_swig_OBConformerSearch_SetNicheMating, 2},
40767    {"R_swig_OBConformerSearch_GetNicheMating", (DL_FUNC) &R_swig_OBConformerSearch_GetNicheMating, 2},
40768    {"R_swig_toAngleData", (DL_FUNC) &R_swig_toAngleData, 1},
40769    {"R_swig_delete_OBAngleData", (DL_FUNC) &R_swig_delete_OBAngleData, 1},
40770    {"R_swig_OBOrbitalData_GetAlphaHOMO", (DL_FUNC) &R_swig_OBOrbitalData_GetAlphaHOMO, 2},
40771    {"R_swig_OBForceField_VectorTorsion", (DL_FUNC) &R_swig_OBForceField_VectorTorsion, 5},
40772    {"R_swig_OBRotor_CalcTorsion", (DL_FUNC) &R_swig_OBRotor_CalcTorsion, 3},
40773    {"R_swig_OBMol_SetTorsion", (DL_FUNC) &R_swig_OBMol_SetTorsion, 6},
40774    {"R_swig_delete_OBTorsion", (DL_FUNC) &R_swig_delete_OBTorsion, 1},
40775    {"R_swig_matrix3x3_SetupRotMat", (DL_FUNC) &R_swig_matrix3x3_SetupRotMat, 4},
40776    {"R_swig_OBBond_SetHash", (DL_FUNC) &R_swig_OBBond_SetHash, 1},
40777    {"R_swig_OBBond_UnsetHash", (DL_FUNC) &R_swig_OBBond_UnsetHash, 1},
40778    {"R_swig_OBMolBondBFSIter_SetHash", (DL_FUNC) &R_swig_OBMolBondBFSIter_SetHash, 1},
40779    {"R_swig_OBMolBondBFSIter_UnsetHash", (DL_FUNC) &R_swig_OBMolBondBFSIter_UnsetHash, 1},
40780    {"R_swig_OBMolBondIter_SetHash", (DL_FUNC) &R_swig_OBMolBondIter_SetHash, 1},
40781    {"R_swig_OBMolBondIter_UnsetHash", (DL_FUNC) &R_swig_OBMolBondIter_UnsetHash, 1},
40782    {"R_swig_OBAtomBondIter_SetHash", (DL_FUNC) &R_swig_OBAtomBondIter_SetHash, 1},
40783    {"R_swig_OBAtomBondIter_UnsetHash", (DL_FUNC) &R_swig_OBAtomBondIter_UnsetHash, 1},
40784    {"R_swig_delete_vectorvInt", (DL_FUNC) &R_swig_delete_vectorvInt, 1},
40785    {"R_swig_new_OBCisTransConfig", (DL_FUNC) &R_swig_new_OBCisTransConfig, 0},
40786    {"R_swig_delete_OBCisTransConfig", (DL_FUNC) &R_swig_delete_OBCisTransConfig, 1},
40787    {"R_swig_OBFFConstraint_gradd_get", (DL_FUNC) &R_swig_OBFFConstraint_gradd_get, 2},
40788    {"R_swig_OBMolAtomIter_CloneData", (DL_FUNC) &R_swig_OBMolAtomIter_CloneData, 2},
40789    {"R_swig_OBBase_CloneData", (DL_FUNC) &R_swig_OBBase_CloneData, 2},
40790    {"R_swig_OBMolAtomDFSIter_CloneData", (DL_FUNC) &R_swig_OBMolAtomDFSIter_CloneData, 2},
40791    {"R_swig_OBMolAtomBFSIter_CloneData", (DL_FUNC) &R_swig_OBMolAtomBFSIter_CloneData, 2},
40792    {"R_swig_OBMolBondBFSIter_CloneData", (DL_FUNC) &R_swig_OBMolBondBFSIter_CloneData, 2},
40793    {"R_swig_OBMolBondIter_CloneData", (DL_FUNC) &R_swig_OBMolBondIter_CloneData, 2},
40794    {"R_swig_OBAtomAtomIter_CloneData", (DL_FUNC) &R_swig_OBAtomAtomIter_CloneData, 2},
40795    {"R_swig_OBAtomBondIter_CloneData", (DL_FUNC) &R_swig_OBAtomBondIter_CloneData, 2},
40796    {"R_swig_OBResidueIter_CloneData", (DL_FUNC) &R_swig_OBResidueIter_CloneData, 2},
40797    {"R_swig_OBResidueAtomIter_CloneData", (DL_FUNC) &R_swig_OBResidueAtomIter_CloneData, 2},
40798    {"R_swig_OBMessageHandler_StartErrorWrap", (DL_FUNC) &R_swig_OBMessageHandler_StartErrorWrap, 2},
40799    {"R_swig_OBMessageHandler_StopErrorWrap", (DL_FUNC) &R_swig_OBMessageHandler_StopErrorWrap, 2},
40800    {"R_swig_vectorOBMol_size", (DL_FUNC) &R_swig_vectorOBMol_size, 2},
40801    {"R_swig_OBTetrahedralConfig_specified_set", (DL_FUNC) &R_swig_OBTetrahedralConfig_specified_set, 2},
40802    {"R_swig_OBCisTransConfig_specified_set", (DL_FUNC) &R_swig_OBCisTransConfig_specified_set, 2},
40803    {"R_swig_OBSquarePlanarConfig_specified_set", (DL_FUNC) &R_swig_OBSquarePlanarConfig_specified_set, 2},
40804    {"R_swig_OBFFCalculation2_force_b_get", (DL_FUNC) &R_swig_OBFFCalculation2_force_b_get, 2},
40805    {"R_swig_OBFFCalculation2_pos_b_get", (DL_FUNC) &R_swig_OBFFCalculation2_pos_b_get, 1},
40806    {"R_swig_OBFFParameter__b_get", (DL_FUNC) &R_swig_OBFFParameter__b_get, 2},
40807    {"R_swig_OBInternalCoord__b_get", (DL_FUNC) &R_swig_OBInternalCoord__b_get, 1},
40808    {"R_swig_NewExtension", (DL_FUNC) &R_swig_NewExtension, 3},
40809    {"R_swig_OBFFConstraints_GetConstraintValue", (DL_FUNC) &R_swig_OBFFConstraints_GetConstraintValue, 3},
40810    {"R_swig_OBMolAtomIter_MatchesSMARTS", (DL_FUNC) &R_swig_OBMolAtomIter_MatchesSMARTS, 3},
40811    {"R_swig_OBAtom_MatchesSMARTS", (DL_FUNC) &R_swig_OBAtom_MatchesSMARTS, 3},
40812    {"R_swig_OBMolAtomDFSIter_MatchesSMARTS", (DL_FUNC) &R_swig_OBMolAtomDFSIter_MatchesSMARTS, 3},
40813    {"R_swig_OBMolAtomBFSIter_MatchesSMARTS", (DL_FUNC) &R_swig_OBMolAtomBFSIter_MatchesSMARTS, 3},
40814    {"R_swig_OBAtomAtomIter_MatchesSMARTS", (DL_FUNC) &R_swig_OBAtomAtomIter_MatchesSMARTS, 3},
40815    {"R_swig_OBResidueAtomIter_MatchesSMARTS", (DL_FUNC) &R_swig_OBResidueAtomIter_MatchesSMARTS, 3},
40816    {"R_swig_OBSmartsPattern_Empty", (DL_FUNC) &R_swig_OBSmartsPattern_Empty, 2},
40817    {"R_swig_OBMol_Empty", (DL_FUNC) &R_swig_OBMol_Empty, 2},
40818    {"R_swig_OBTorsion_Empty", (DL_FUNC) &R_swig_OBTorsion_Empty, 2},
40819    {"R_swig_FptIndexHeader_headerlength_get", (DL_FUNC) &R_swig_FptIndexHeader_headerlength_get, 2},
40820    {"R_swig_OBRing__path_get", (DL_FUNC) &R_swig_OBRing__path_get, 2},
40821    {"R_swig_OBMolRingIter__path_get", (DL_FUNC) &R_swig_OBMolRingIter__path_get, 2},
40822    {"R_swig_OBIsomorphismMapper_SetTimeout", (DL_FUNC) &R_swig_OBIsomorphismMapper_SetTimeout, 2},
40823    {"R_swig_OBMol_GetAtomById", (DL_FUNC) &R_swig_OBMol_GetAtomById, 2},
40824    {"R_swig_OBRingData_PushBack", (DL_FUNC) &R_swig_OBRingData_PushBack, 2},
40825    {"R_swig_OBForceField_ValidateGradients", (DL_FUNC) &R_swig_OBForceField_ValidateGradients, 2},
40826    {"R_swig_OBForceField_ValidateConjugateGradients", (DL_FUNC) &R_swig_OBForceField_ValidateConjugateGradients, 2},
40827    {"R_swig_OBForceField_HasAnalyticalGradients", (DL_FUNC) &R_swig_OBForceField_HasAnalyticalGradients, 2},
40828    {"R_swig_FptIndexHeader_nEntries_get", (DL_FUNC) &R_swig_FptIndexHeader_nEntries_get, 2},
40829    {"R_swig_calc_rms", (DL_FUNC) &R_swig_calc_rms, 4},
40830    {"R_swig_CalcTorsionAngle", (DL_FUNC) &R_swig_CalcTorsionAngle, 5},
40831    {"R_swig_OBFFConstraint_id_set", (DL_FUNC) &R_swig_OBFFConstraint_id_set, 2},
40832    {"R_swig_OBStereoUnit_id_set", (DL_FUNC) &R_swig_OBStereoUnit_id_set, 2},
40833    {"R_swig_OBRing_ring_id_set", (DL_FUNC) &R_swig_OBRing_ring_id_set, 2},
40834    {"R_swig_OBMolRingIter_ring_id_set", (DL_FUNC) &R_swig_OBMolRingIter_ring_id_set, 2},
40835    {"R_swig_OBBitVec_SetRangeOn", (DL_FUNC) &R_swig_OBBitVec_SetRangeOn, 3},
40836    {"R_swig_OBSetData_DeleteData", (DL_FUNC) &R_swig_OBSetData_DeleteData, 2},
40837    {"R_swig_toRateData", (DL_FUNC) &R_swig_toRateData, 1},
40838    {"R_swig_delete_OBRotor", (DL_FUNC) &R_swig_delete_OBRotor, 1},
40839    {"R_swig_new_OBRotor", (DL_FUNC) &R_swig_new_OBRotor, 0},
40840    {"R_swig_OBMolAtomDFSIter_GetExactMass", (DL_FUNC) &R_swig_OBMolAtomDFSIter_GetExactMass, 2},
40841    {"R_swig_OBMolAtomIter_GetExactMass", (DL_FUNC) &R_swig_OBMolAtomIter_GetExactMass, 2},
40842    {"R_swig_OBAtom_GetExactMass", (DL_FUNC) &R_swig_OBAtom_GetExactMass, 2},
40843    {"R_swig_OBMolAtomBFSIter_GetExactMass", (DL_FUNC) &R_swig_OBMolAtomBFSIter_GetExactMass, 2},
40844    {"R_swig_OBAtomAtomIter_GetExactMass", (DL_FUNC) &R_swig_OBAtomAtomIter_GetExactMass, 2},
40845    {"R_swig_OBResidueAtomIter_GetExactMass", (DL_FUNC) &R_swig_OBResidueAtomIter_GetExactMass, 2},
40846    {"R_swig_OBMol_GetAtom", (DL_FUNC) &R_swig_OBMol_GetAtom, 2},
40847    {"R_swig_OBExternalBond_SetAtom", (DL_FUNC) &R_swig_OBExternalBond_SetAtom, 2},
40848    {"R_swig_OBExternalBond_GetAtom", (DL_FUNC) &R_swig_OBExternalBond_GetAtom, 1},
40849    {"R_swig_OBTetrahedralConfig_refs_set", (DL_FUNC) &R_swig_OBTetrahedralConfig_refs_set, 2},
40850    {"R_swig_OBCisTransConfig_refs_set", (DL_FUNC) &R_swig_OBCisTransConfig_refs_set, 2},
40851    {"R_swig_OBSquarePlanarConfig_refs_set", (DL_FUNC) &R_swig_OBSquarePlanarConfig_refs_set, 2},
40852    {"R_swig_OBBond_SetKTriple", (DL_FUNC) &R_swig_OBBond_SetKTriple, 1},
40853    {"R_swig_OBBond_IsTriple", (DL_FUNC) &R_swig_OBBond_IsTriple, 2},
40854    {"R_swig_OBBond_IsKTriple", (DL_FUNC) &R_swig_OBBond_IsKTriple, 2},
40855    {"R_swig_OBMolBondBFSIter_SetKTriple", (DL_FUNC) &R_swig_OBMolBondBFSIter_SetKTriple, 1},
40856    {"R_swig_OBMolBondBFSIter_IsTriple", (DL_FUNC) &R_swig_OBMolBondBFSIter_IsTriple, 2},
40857    {"R_swig_OBMolBondBFSIter_IsKTriple", (DL_FUNC) &R_swig_OBMolBondBFSIter_IsKTriple, 2},
40858    {"R_swig_OBMolBondIter_SetKTriple", (DL_FUNC) &R_swig_OBMolBondIter_SetKTriple, 1},
40859    {"R_swig_OBMolBondIter_IsTriple", (DL_FUNC) &R_swig_OBMolBondIter_IsTriple, 2},
40860    {"R_swig_OBMolBondIter_IsKTriple", (DL_FUNC) &R_swig_OBMolBondIter_IsKTriple, 2},
40861    {"R_swig_OBAtomBondIter_SetKTriple", (DL_FUNC) &R_swig_OBAtomBondIter_SetKTriple, 1},
40862    {"R_swig_OBAtomBondIter_IsTriple", (DL_FUNC) &R_swig_OBAtomBondIter_IsTriple, 2},
40863    {"R_swig_OBAtomBondIter_IsKTriple", (DL_FUNC) &R_swig_OBAtomBondIter_IsKTriple, 2},
40864    {"R_swig_OBConversion_SetLast", (DL_FUNC) &R_swig_OBConversion_SetLast, 2},
40865    {"R_swig_OBSymmetryData_GetSpaceGroup", (DL_FUNC) &R_swig_OBSymmetryData_GetSpaceGroup, 2},
40866    {"R_swig_OBSymmetryData_SetSpaceGroup", (DL_FUNC) &R_swig_OBSymmetryData_SetSpaceGroup, 2},
40867    {"R_swig_delete_SpaceGroup", (DL_FUNC) &R_swig_delete_SpaceGroup, 1},
40868    {"R_swig_new_SpaceGroup", (DL_FUNC) &R_swig_new_SpaceGroup, 0},
40869    {"R_swig_OBMol_NumResidues", (DL_FUNC) &R_swig_OBMol_NumResidues, 2},
40870    {"R_swig_OBMolAtomDFSIter__next", (DL_FUNC) &R_swig_OBMolAtomDFSIter__next, 1},
40871    {"R_swig_rotor_digit__next", (DL_FUNC) &R_swig_rotor_digit__next, 2},
40872    {"R_swig_OBFFConstraint_gradb_set", (DL_FUNC) &R_swig_OBFFConstraint_gradb_set, 2},
40873    {"R_swig_OBForceField_PrintTypes", (DL_FUNC) &R_swig_OBForceField_PrintTypes, 1},
40874    {"R_swig_OBElectronicTransitionData_SetRotatoryStrengthsVelocity", (DL_FUNC) &R_swig_OBElectronicTransitionData_SetRotatoryStrengthsVelocity, 2},
40875    {"R_swig_OBElectronicTransitionData_SetRotatoryStrengthsLength", (DL_FUNC) &R_swig_OBElectronicTransitionData_SetRotatoryStrengthsLength, 2},
40876    {"R_swig_OBElectronicTransitionData_GetRotatoryStrengthsVelocity", (DL_FUNC) &R_swig_OBElectronicTransitionData_GetRotatoryStrengthsVelocity, 2},
40877    {"R_swig_OBElectronicTransitionData_GetRotatoryStrengthsLength", (DL_FUNC) &R_swig_OBElectronicTransitionData_GetRotatoryStrengthsLength, 2},
40878    {"R_swig_OBFFConstraints_Clear", (DL_FUNC) &R_swig_OBFFConstraints_Clear, 1},
40879    {"R_swig_OBRotorKeys_Clear", (DL_FUNC) &R_swig_OBRotorKeys_Clear, 1},
40880    {"R_swig_OBBitVec_Clear", (DL_FUNC) &R_swig_OBBitVec_Clear, 1},
40881    {"R_swig_OBAtomClassData_Clear", (DL_FUNC) &R_swig_OBAtomClassData_Clear, 1},
40882    {"R_swig_OBBase_Clear", (DL_FUNC) &R_swig_OBBase_Clear, 2},
40883    {"R_swig_OBTorsionData_Clear", (DL_FUNC) &R_swig_OBTorsionData_Clear, 1},
40884    {"R_swig_OBAngle_Clear", (DL_FUNC) &R_swig_OBAngle_Clear, 1},
40885    {"R_swig_OBAngleData_Clear", (DL_FUNC) &R_swig_OBAngleData_Clear, 1},
40886    {"R_swig_OBChiralData_Clear", (DL_FUNC) &R_swig_OBChiralData_Clear, 1},
40887    {"R_swig_OBRotorKeys_AddRotor", (DL_FUNC) &R_swig_OBRotorKeys_AddRotor, 2},
40888    {"R_swig_OBElement_GetMass", (DL_FUNC) &R_swig_OBElement_GetMass, 2},
40889    {"R_swig_OBElementTable_GetMass", (DL_FUNC) &R_swig_OBElementTable_GetMass, 3},
40890    {"R_swig_rotor_digit_size", (DL_FUNC) &R_swig_rotor_digit_size, 2},
40891    {"R_swig_rotor_digit_set_size", (DL_FUNC) &R_swig_rotor_digit_set_size, 2},
40892    {"R_swig_OBSmartsPattern_HasMatch", (DL_FUNC) &R_swig_OBSmartsPattern_HasMatch, 3},
40893    {"R_swig_OBRotorList_HasFixedAtoms", (DL_FUNC) &R_swig_OBRotorList_HasFixedAtoms, 2},
40894    {"R_swig_OBRotor_SetFixedAtoms", (DL_FUNC) &R_swig_OBRotor_SetFixedAtoms, 2},
40895    {"R_swig_OBRotor_GetFixedAtoms", (DL_FUNC) &R_swig_OBRotor_GetFixedAtoms, 2},
40896    {"R_swig_OBForceField_VectorAngle", (DL_FUNC) &R_swig_OBForceField_VectorAngle, 4},
40897    {"R_swig_vectorAngle", (DL_FUNC) &R_swig_vectorAngle, 3},
40898    {"R_swig_OBSpectrophore_GetResolution", (DL_FUNC) &R_swig_OBSpectrophore_GetResolution, 2},
40899    {"R_swig_OBRotor_GetResolution", (DL_FUNC) &R_swig_OBRotor_GetResolution, 2},
40900    {"R_swig_OBMol_SetIsPatternStructure", (DL_FUNC) &R_swig_OBMol_SetIsPatternStructure, 1},
40901    {"R_swig_OBMolBondBFSIter_IsUp", (DL_FUNC) &R_swig_OBMolBondBFSIter_IsUp, 2},
40902    {"R_swig_OBMolBondIter_IsUp", (DL_FUNC) &R_swig_OBMolBondIter_IsUp, 2},
40903    {"R_swig_OBAtomBondIter_IsUp", (DL_FUNC) &R_swig_OBAtomBondIter_IsUp, 2},
40904    {"R_swig_OBForceField_SetLogFile", (DL_FUNC) &R_swig_OBForceField_SetLogFile, 3},
40905    {"R_swig_pairUIntUInt_second_get", (DL_FUNC) &R_swig_pairUIntUInt_second_get, 2},
40906    {"R_swig_OBCisTransConfig_end_get", (DL_FUNC) &R_swig_OBCisTransConfig_end_get, 2},
40907    {"R_swig_OBFFConstraints_GetConstraintEnergy", (DL_FUNC) &R_swig_OBFFConstraints_GetConstraintEnergy, 2},
40908    {"R_swig_OBMol_SetEnergy", (DL_FUNC) &R_swig_OBMol_SetEnergy, 2},
40909    {"R_swig_OBOrbital_GetEnergy", (DL_FUNC) &R_swig_OBOrbital_GetEnergy, 2},
40910    {"R_swig_OBMolAtomDFSIter_IsMetal", (DL_FUNC) &R_swig_OBMolAtomDFSIter_IsMetal, 2},
40911    {"R_swig_OBMolAtomIter_IsMetal", (DL_FUNC) &R_swig_OBMolAtomIter_IsMetal, 2},
40912    {"R_swig_OBAtom_IsMetal", (DL_FUNC) &R_swig_OBAtom_IsMetal, 2},
40913    {"R_swig_OBMolAtomBFSIter_IsMetal", (DL_FUNC) &R_swig_OBMolAtomBFSIter_IsMetal, 2},
40914    {"R_swig_OBAtomAtomIter_IsMetal", (DL_FUNC) &R_swig_OBAtomAtomIter_IsMetal, 2},
40915    {"R_swig_OBResidueAtomIter_IsMetal", (DL_FUNC) &R_swig_OBResidueAtomIter_IsMetal, 2},
40916    {"R_swig_OBMessageHandler_GetMessagesOfLevel", (DL_FUNC) &R_swig_OBMessageHandler_GetMessagesOfLevel, 3},
40917    {"R_swig_OBMol_GetAngle", (DL_FUNC) &R_swig_OBMol_GetAngle, 5},
40918    {"R_swig_OBAngle_GetAngle", (DL_FUNC) &R_swig_OBAngle_GetAngle, 2},
40919    {"R_swig_OBAngle_SetAngle", (DL_FUNC) &R_swig_OBAngle_SetAngle, 2},
40920    {"R_swig_OBFFConstraint_ib_get", (DL_FUNC) &R_swig_OBFFConstraint_ib_get, 2},
40921    {"R_swig_OBMolAtomDFSIter_GetType", (DL_FUNC) &R_swig_OBMolAtomDFSIter_GetType, 1},
40922    {"R_swig_OBMolAtomDFSIter_SetType", (DL_FUNC) &R_swig_OBMolAtomDFSIter_SetType, 2},
40923    {"R_swig_OBMolAtomIter_GetType", (DL_FUNC) &R_swig_OBMolAtomIter_GetType, 1},
40924    {"R_swig_OBMolAtomIter_SetType", (DL_FUNC) &R_swig_OBMolAtomIter_SetType, 2},
40925    {"R_swig_OBStereoBase_GetType", (DL_FUNC) &R_swig_OBStereoBase_GetType, 2},
40926    {"R_swig_OBRing_GetType", (DL_FUNC) &R_swig_OBRing_GetType, 1},
40927    {"R_swig_OBFormat_GetType", (DL_FUNC) &R_swig_OBFormat_GetType, 2},
40928    {"R_swig_OBAtom_SetType", (DL_FUNC) &R_swig_OBAtom_SetType, 2},
40929    {"R_swig_OBAtom_GetType", (DL_FUNC) &R_swig_OBAtom_GetType, 1},
40930    {"R_swig_OBMolAtomBFSIter_SetType", (DL_FUNC) &R_swig_OBMolAtomBFSIter_SetType, 2},
40931    {"R_swig_OBMolAtomBFSIter_GetType", (DL_FUNC) &R_swig_OBMolAtomBFSIter_GetType, 1},
40932    {"R_swig_OBAtomAtomIter_SetType", (DL_FUNC) &R_swig_OBAtomAtomIter_SetType, 2},
40933    {"R_swig_OBAtomAtomIter_GetType", (DL_FUNC) &R_swig_OBAtomAtomIter_GetType, 1},
40934    {"R_swig_OBResidueAtomIter_SetType", (DL_FUNC) &R_swig_OBResidueAtomIter_SetType, 2},
40935    {"R_swig_OBResidueAtomIter_GetType", (DL_FUNC) &R_swig_OBResidueAtomIter_GetType, 1},
40936    {"R_swig_OBMolRingIter_GetType", (DL_FUNC) &R_swig_OBMolRingIter_GetType, 1},
40937    {"R_swig_OBReaction_AddProduct", (DL_FUNC) &R_swig_OBReaction_AddProduct, 2},
40938    {"R_swig_OBReaction_GetProduct", (DL_FUNC) &R_swig_OBReaction_GetProduct, 3},
40939    {"R_swig_OBTorsionData_FillTorsionArray", (DL_FUNC) &R_swig_OBTorsionData_FillTorsionArray, 3},
40940    {"R_swig_OBOp_WorksWith", (DL_FUNC) &R_swig_OBOp_WorksWith, 3},
40941    {"R_swig_OBFFConstraints_GetGradient", (DL_FUNC) &R_swig_OBFFConstraints_GetGradient, 3},
40942    {"R_swig_OBFFConstraint_GetGradient", (DL_FUNC) &R_swig_OBFFConstraint_GetGradient, 3},
40943    {"R_swig_OBConformerSearch_Search", (DL_FUNC) &R_swig_OBConformerSearch_Search, 1},
40944    {"R_swig_OBForceField_ValidateLineSearch", (DL_FUNC) &R_swig_OBForceField_ValidateLineSearch, 4},
40945    {"R_swig_OBForceField_Newton2NumLineSearch", (DL_FUNC) &R_swig_OBForceField_Newton2NumLineSearch, 3},
40946    {"R_swig_delete_OBRingSearch", (DL_FUNC) &R_swig_delete_OBRingSearch, 1},
40947    {"R_swig_new_OBRingSearch", (DL_FUNC) &R_swig_new_OBRingSearch, 0},
40948    {"R_swig_new_OBGlobalDataBase", (DL_FUNC) &R_swig_new_OBGlobalDataBase, 0},
40949    {"R_swig_delete_OBGlobalDataBase", (DL_FUNC) &R_swig_delete_OBGlobalDataBase, 1},
40950    {"R_swig_OBReaction_NumReactants", (DL_FUNC) &R_swig_OBReaction_NumReactants, 2},
40951    {"R_swig_superimpose", (DL_FUNC) &R_swig_superimpose, 4},
40952    {"R_swig_OBAtom_BOSum", (DL_FUNC) &R_swig_OBAtom_BOSum, 2},
40953    {"R_swig_OBMessageHandler_ClearLog", (DL_FUNC) &R_swig_OBMessageHandler_ClearLog, 1},
40954    {"R_swig_OBMolAtomDFSIter_GetAtomicMass", (DL_FUNC) &R_swig_OBMolAtomDFSIter_GetAtomicMass, 2},
40955    {"R_swig_OBMolAtomIter_GetAtomicMass", (DL_FUNC) &R_swig_OBMolAtomIter_GetAtomicMass, 2},
40956    {"R_swig_OBAtom_GetAtomicMass", (DL_FUNC) &R_swig_OBAtom_GetAtomicMass, 2},
40957    {"R_swig_OBMolAtomBFSIter_GetAtomicMass", (DL_FUNC) &R_swig_OBMolAtomBFSIter_GetAtomicMass, 2},
40958    {"R_swig_OBAtomAtomIter_GetAtomicMass", (DL_FUNC) &R_swig_OBAtomAtomIter_GetAtomicMass, 2},
40959    {"R_swig_OBResidueAtomIter_GetAtomicMass", (DL_FUNC) &R_swig_OBResidueAtomIter_GetAtomicMass, 2},
40960    {"R_swig_OBForceField_VectorNormalize", (DL_FUNC) &R_swig_OBForceField_VectorNormalize, 1},
40961    {"R_swig_transform3d_Normalize", (DL_FUNC) &R_swig_transform3d_Normalize, 1},
40962    {"R_swig_vector3_normalize", (DL_FUNC) &R_swig_vector3_normalize, 2},
40963    {"R_swig_OBForceField_UnsetIgnoreAtom", (DL_FUNC) &R_swig_OBForceField_UnsetIgnoreAtom, 1},
40964    {"R_swig_OBForceField_SetIgnoreAtom", (DL_FUNC) &R_swig_OBForceField_SetIgnoreAtom, 2},
40965    {"R_swig_OBBond_IsImide", (DL_FUNC) &R_swig_OBBond_IsImide, 2},
40966    {"R_swig_OBMolBondBFSIter_IsImide", (DL_FUNC) &R_swig_OBMolBondBFSIter_IsImide, 2},
40967    {"R_swig_OBMolBondIter_IsImide", (DL_FUNC) &R_swig_OBMolBondIter_IsImide, 2},
40968    {"R_swig_OBAtomBondIter_IsImide", (DL_FUNC) &R_swig_OBAtomBondIter_IsImide, 2},
40969    {"R_swig_OBBond_SetKSingle", (DL_FUNC) &R_swig_OBBond_SetKSingle, 1},
40970    {"R_swig_OBBond_IsSingle", (DL_FUNC) &R_swig_OBBond_IsSingle, 2},
40971    {"R_swig_OBBond_IsKSingle", (DL_FUNC) &R_swig_OBBond_IsKSingle, 2},
40972    {"R_swig_OBForceField_VectorDivide", (DL_FUNC) &R_swig_OBForceField_VectorDivide, 3},
40973    {"R_swig_OBMolBondBFSIter_SetKSingle", (DL_FUNC) &R_swig_OBMolBondBFSIter_SetKSingle, 1},
40974    {"R_swig_OBMolBondBFSIter_IsSingle", (DL_FUNC) &R_swig_OBMolBondBFSIter_IsSingle, 2},
40975    {"R_swig_OBMolBondBFSIter_IsKSingle", (DL_FUNC) &R_swig_OBMolBondBFSIter_IsKSingle, 2},
40976    {"R_swig_OBMolBondIter_SetKSingle", (DL_FUNC) &R_swig_OBMolBondIter_SetKSingle, 1},
40977    {"R_swig_OBMolBondIter_IsSingle", (DL_FUNC) &R_swig_OBMolBondIter_IsSingle, 2},
40978    {"R_swig_OBMolBondIter_IsKSingle", (DL_FUNC) &R_swig_OBMolBondIter_IsKSingle, 2},
40979    {"R_swig_OBAtomBondIter_SetKSingle", (DL_FUNC) &R_swig_OBAtomBondIter_SetKSingle, 1},
40980    {"R_swig_OBAtomBondIter_IsSingle", (DL_FUNC) &R_swig_OBAtomBondIter_IsSingle, 2},
40981    {"R_swig_OBAtomBondIter_IsKSingle", (DL_FUNC) &R_swig_OBAtomBondIter_IsKSingle, 2},
40982    {"R_swig_OBRing_GetRootAtom", (DL_FUNC) &R_swig_OBRing_GetRootAtom, 2},
40983    {"R_swig_OBMolRingIter_GetRootAtom", (DL_FUNC) &R_swig_OBMolRingIter_GetRootAtom, 2},
40984    {"R_swig_OBSmartsPattern_WriteMapList", (DL_FUNC) &R_swig_OBSmartsPattern_WriteMapList, 2},
40985    {"R_swig_OBSmartsPattern_GetUMapList", (DL_FUNC) &R_swig_OBSmartsPattern_GetUMapList, 2},
40986    {"R_swig_OBSmartsPattern_GetMapList", (DL_FUNC) &R_swig_OBSmartsPattern_GetMapList, 2},
40987    {"R_swig_OBBond_FindSmallestRing", (DL_FUNC) &R_swig_OBBond_FindSmallestRing, 1},
40988    {"R_swig_OBMolBondBFSIter_FindSmallestRing", (DL_FUNC) &R_swig_OBMolBondBFSIter_FindSmallestRing, 1},
40989    {"R_swig_OBMolBondIter_FindSmallestRing", (DL_FUNC) &R_swig_OBMolBondIter_FindSmallestRing, 1},
40990    {"R_swig_OBAtomBondIter_FindSmallestRing", (DL_FUNC) &R_swig_OBAtomBondIter_FindSmallestRing, 1},
40991    {"R_swig_OBRotorList_IdentifyEvalAtoms", (DL_FUNC) &R_swig_OBRotorList_IdentifyEvalAtoms, 3},
40992    {"R_swig_OBRotorList_SetEvalAtoms", (DL_FUNC) &R_swig_OBRotorList_SetEvalAtoms, 3},
40993    {"R_swig_OBRotor_SetEvalAtoms", (DL_FUNC) &R_swig_OBRotor_SetEvalAtoms, 2},
40994    {"R_swig_OBRotor_GetEvalAtoms", (DL_FUNC) &R_swig_OBRotor_GetEvalAtoms, 2},
40995    {"R_swig_OBAtom_SetId", (DL_FUNC) &R_swig_OBAtom_SetId, 2},
40996    {"R_swig_new_stringp", (DL_FUNC) &R_swig_new_stringp, 0},
40997    {"R_swig_delete_stringp", (DL_FUNC) &R_swig_delete_stringp, 1},
40998    {"R_swig_toMatrixData", (DL_FUNC) &R_swig_toMatrixData, 1},
40999    {"R_swig_new_OBMatrixData", (DL_FUNC) &R_swig_new_OBMatrixData, 0},
41000    {"R_swig_delete_OBMatrixData", (DL_FUNC) &R_swig_delete_OBMatrixData, 1},
41001    {"R_swig_OBForceField_MakeNewInstance", (DL_FUNC) &R_swig_OBForceField_MakeNewInstance, 1},
41002    {"R_swig_OBPlugin_MakeInstance", (DL_FUNC) &R_swig_OBPlugin_MakeInstance, 2},
41003    {"R_swig_OBFormat_MakeNewInstance", (DL_FUNC) &R_swig_OBFormat_MakeNewInstance, 1},
41004    {"R_swig_OBMol_CreateAtom", (DL_FUNC) &R_swig_OBMol_CreateAtom, 1},
41005    {"R_swig_OBGraphSym_NoSymmetryClass_get", (DL_FUNC) &R_swig_OBGraphSym_NoSymmetryClass_get, 1},
41006    {"R_swig_matrix3x3_GetArray", (DL_FUNC) &R_swig_matrix3x3_GetArray, 2},
41007    {"R_swig_OBMolAtomDFSIter_IsOneThree", (DL_FUNC) &R_swig_OBMolAtomDFSIter_IsOneThree, 3},
41008    {"R_swig_OBMolAtomIter_IsOneThree", (DL_FUNC) &R_swig_OBMolAtomIter_IsOneThree, 3},
41009    {"R_swig_OBAtom_IsOneThree", (DL_FUNC) &R_swig_OBAtom_IsOneThree, 3},
41010    {"R_swig_OBResidue_BeginAtoms", (DL_FUNC) &R_swig_OBResidue_BeginAtoms, 2},
41011    {"R_swig_OBMolAtomBFSIter_IsOneThree", (DL_FUNC) &R_swig_OBMolAtomBFSIter_IsOneThree, 3},
41012    {"R_swig_OBAtomAtomIter_IsOneThree", (DL_FUNC) &R_swig_OBAtomAtomIter_IsOneThree, 3},
41013    {"R_swig_OBResidueIter_BeginAtoms", (DL_FUNC) &R_swig_OBResidueIter_BeginAtoms, 2},
41014    {"R_swig_OBResidueAtomIter_IsOneThree", (DL_FUNC) &R_swig_OBResidueAtomIter_IsOneThree, 3},
41015    {"R_swig_OBFFCalculation2_energy_set", (DL_FUNC) &R_swig_OBFFCalculation2_energy_set, 2},
41016    {"R_swig_OBBond_SetKDouble", (DL_FUNC) &R_swig_OBBond_SetKDouble, 1},
41017    {"R_swig_OBBond_IsDouble", (DL_FUNC) &R_swig_OBBond_IsDouble, 2},
41018    {"R_swig_OBBond_IsKDouble", (DL_FUNC) &R_swig_OBBond_IsKDouble, 2},
41019    {"R_swig_OBMolBondBFSIter_SetKDouble", (DL_FUNC) &R_swig_OBMolBondBFSIter_SetKDouble, 1},
41020    {"R_swig_OBMolBondBFSIter_IsDouble", (DL_FUNC) &R_swig_OBMolBondBFSIter_IsDouble, 2},
41021    {"R_swig_OBMolBondBFSIter_IsKDouble", (DL_FUNC) &R_swig_OBMolBondBFSIter_IsKDouble, 2},
41022    {"R_swig_OBMolBondIter_SetKDouble", (DL_FUNC) &R_swig_OBMolBondIter_SetKDouble, 1},
41023    {"R_swig_OBMolBondIter_IsDouble", (DL_FUNC) &R_swig_OBMolBondIter_IsDouble, 2},
41024    {"R_swig_OBMolBondIter_IsKDouble", (DL_FUNC) &R_swig_OBMolBondIter_IsKDouble, 2},
41025    {"R_swig_OBAtomBondIter_SetKDouble", (DL_FUNC) &R_swig_OBAtomBondIter_SetKDouble, 1},
41026    {"R_swig_OBAtomBondIter_IsDouble", (DL_FUNC) &R_swig_OBAtomBondIter_IsDouble, 2},
41027    {"R_swig_OBAtomBondIter_IsKDouble", (DL_FUNC) &R_swig_OBAtomBondIter_IsKDouble, 2},
41028    {"R_swig_OBElement_GetElectroNeg", (DL_FUNC) &R_swig_OBElement_GetElectroNeg, 2},
41029    {"R_swig_OBElement_GetAllredRochowElectroNeg", (DL_FUNC) &R_swig_OBElement_GetAllredRochowElectroNeg, 2},
41030    {"R_swig_OBElementTable_GetElectroNeg", (DL_FUNC) &R_swig_OBElementTable_GetElectroNeg, 3},
41031    {"R_swig_OBElementTable_GetAllredRochowElectroNeg", (DL_FUNC) &R_swig_OBElementTable_GetAllredRochowElectroNeg, 3},
41032    {"R_swig_OBResidue_RemoveAtom", (DL_FUNC) &R_swig_OBResidue_RemoveAtom, 2},
41033    {"R_swig_OBResidueIter_RemoveAtom", (DL_FUNC) &R_swig_OBResidueIter_RemoveAtom, 2},
41034    {"R_swig_OBAtomClassData_Add", (DL_FUNC) &R_swig_OBAtomClassData_Add, 3},
41035    {"R_swig_matrix3x3_FillOrth", (DL_FUNC) &R_swig_matrix3x3_FillOrth, 7},
41036    {"R_swig_matrix3x3_isOrthogonal", (DL_FUNC) &R_swig_matrix3x3_isOrthogonal, 2},
41037    {"R_swig_matrix3x3_Set", (DL_FUNC) &R_swig_matrix3x3_Set, 4},
41038    {"R_swig_OBMolAtomIter_CountBondsOfOrder", (DL_FUNC) &R_swig_OBMolAtomIter_CountBondsOfOrder, 3},
41039    {"R_swig_OBMolAtomIter_HasBondOfOrder", (DL_FUNC) &R_swig_OBMolAtomIter_HasBondOfOrder, 3},
41040    {"R_swig_OBAtom_HasBondOfOrder", (DL_FUNC) &R_swig_OBAtom_HasBondOfOrder, 3},
41041    {"R_swig_OBAtom_CountBondsOfOrder", (DL_FUNC) &R_swig_OBAtom_CountBondsOfOrder, 3},
41042    {"R_swig_OBMolAtomDFSIter_HasBondOfOrder", (DL_FUNC) &R_swig_OBMolAtomDFSIter_HasBondOfOrder, 3},
41043    {"R_swig_OBMolAtomDFSIter_CountBondsOfOrder", (DL_FUNC) &R_swig_OBMolAtomDFSIter_CountBondsOfOrder, 3},
41044    {"R_swig_OBMolAtomBFSIter_HasBondOfOrder", (DL_FUNC) &R_swig_OBMolAtomBFSIter_HasBondOfOrder, 3},
41045    {"R_swig_OBMolAtomBFSIter_CountBondsOfOrder", (DL_FUNC) &R_swig_OBMolAtomBFSIter_CountBondsOfOrder, 3},
41046    {"R_swig_OBAtomAtomIter_HasBondOfOrder", (DL_FUNC) &R_swig_OBAtomAtomIter_HasBondOfOrder, 3},
41047    {"R_swig_OBAtomAtomIter_CountBondsOfOrder", (DL_FUNC) &R_swig_OBAtomAtomIter_CountBondsOfOrder, 3},
41048    {"R_swig_OBResidueAtomIter_HasBondOfOrder", (DL_FUNC) &R_swig_OBResidueAtomIter_HasBondOfOrder, 3},
41049    {"R_swig_OBResidueAtomIter_CountBondsOfOrder", (DL_FUNC) &R_swig_OBResidueAtomIter_CountBondsOfOrder, 3},
41050    {"R_swig_OBFFConstraints_IsIgnored", (DL_FUNC) &R_swig_OBFFConstraints_IsIgnored, 3},
41051    {"R_swig_matrix3x3_findEigenvectorsIfSymmetric", (DL_FUNC) &R_swig_matrix3x3_findEigenvectorsIfSymmetric, 3},
41052    {"R_swig_matrix3x3_isSymmetric", (DL_FUNC) &R_swig_matrix3x3_isSymmetric, 2},
41053    {"R_swig_OBRotamerList_NumRotors", (DL_FUNC) &R_swig_OBRotamerList_NumRotors, 2},
41054    {"R_swig_OBMol_NumRotors", (DL_FUNC) &R_swig_OBMol_NumRotors, 2},
41055    {"R_swig_OBMolAtomDFSIter_HasChiralVolume", (DL_FUNC) &R_swig_OBMolAtomDFSIter_HasChiralVolume, 2},
41056    {"R_swig_OBMolAtomIter_HasChiralVolume", (DL_FUNC) &R_swig_OBMolAtomIter_HasChiralVolume, 2},
41057    {"R_swig_OBAtom_HasChiralVolume", (DL_FUNC) &R_swig_OBAtom_HasChiralVolume, 2},
41058    {"R_swig_OBMolAtomBFSIter_HasChiralVolume", (DL_FUNC) &R_swig_OBMolAtomBFSIter_HasChiralVolume, 2},
41059    {"R_swig_OBAtomAtomIter_HasChiralVolume", (DL_FUNC) &R_swig_OBAtomAtomIter_HasChiralVolume, 2},
41060    {"R_swig_OBResidueAtomIter_HasChiralVolume", (DL_FUNC) &R_swig_OBResidueAtomIter_HasChiralVolume, 2},
41061    {"R_swig_delete_OBChargeModel", (DL_FUNC) &R_swig_delete_OBChargeModel, 1},
41062    {"R_swig_delete_OBConformerFilters", (DL_FUNC) &R_swig_delete_OBConformerFilters, 1},
41063    {"R_swig_new_OBConformerFilters", (DL_FUNC) &R_swig_new_OBConformerFilters, 1},
41064    {"R_swig_EqualEqual", (DL_FUNC) &R_swig_EqualEqual, 3},
41065    {"R_swig_OBElement_GetBlue", (DL_FUNC) &R_swig_OBElement_GetBlue, 2},
41066    {"R_swig_OBRotorList_NextRotor", (DL_FUNC) &R_swig_OBRotorList_NextRotor, 2},
41067    {"R_swig_vectorOBBond_size", (DL_FUNC) &R_swig_vectorOBBond_size, 2},
41068    {"R_swig_vectorpOBInternalCoord_size", (DL_FUNC) &R_swig_vectorpOBInternalCoord_size, 2},
41069    {"R_swig_OBMol_ContigFragList", (DL_FUNC) &R_swig_OBMol_ContigFragList, 2},
41070    {"R_swig_delete_OBTypeTable", (DL_FUNC) &R_swig_delete_OBTypeTable, 1},
41071    {"R_swig_new_OBTypeTable", (DL_FUNC) &R_swig_new_OBTypeTable, 0},
41072    {"R_swig_delete_OBIsotopeTable", (DL_FUNC) &R_swig_delete_OBIsotopeTable, 1},
41073    {"R_swig_new_OBIsotopeTable", (DL_FUNC) &R_swig_new_OBIsotopeTable, 0},
41074    {"R_swig_OBRotorList_SetRotAtoms", (DL_FUNC) &R_swig_OBRotorList_SetRotAtoms, 3},
41075    {"R_swig_OBRotor_GetRotAtoms", (DL_FUNC) &R_swig_OBRotor_GetRotAtoms, 1},
41076    {"R_swig_OBRotor_SetRotAtoms", (DL_FUNC) &R_swig_OBRotor_SetRotAtoms, 2},
41077    {"R_swig_OBQuery_GetAtoms", (DL_FUNC) &R_swig_OBQuery_GetAtoms, 2},
41078    {"R_swig_OBResidue_GetAtoms", (DL_FUNC) &R_swig_OBResidue_GetAtoms, 2},
41079    {"R_swig_OBError_GetLevel", (DL_FUNC) &R_swig_OBError_GetLevel, 2},
41080    {"R_swig_OBMessageHandler_SetOutputLevel", (DL_FUNC) &R_swig_OBMessageHandler_SetOutputLevel, 2},
41081    {"R_swig_OBMessageHandler_GetOutputLevel", (DL_FUNC) &R_swig_OBMessageHandler_GetOutputLevel, 2},
41082    {"R_swig_OBResidueIter_GetAtoms", (DL_FUNC) &R_swig_OBResidueIter_GetAtoms, 2},
41083    {"R_swig_delete_OBAngle", (DL_FUNC) &R_swig_delete_OBAngle, 1},
41084    {"R_swig_OBFormat_SkipObjects", (DL_FUNC) &R_swig_OBFormat_SkipObjects, 4},
41085    {"R_swig_OBConversion_NumInputObjects", (DL_FUNC) &R_swig_OBConversion_NumInputObjects, 2},
41086    {"R_swig_OBReaction_GetComment", (DL_FUNC) &R_swig_OBReaction_GetComment, 2},
41087    {"R_swig_OBReaction_SetComment", (DL_FUNC) &R_swig_OBReaction_SetComment, 2},
41088    {"R_swig_DoubleType_lo_set", (DL_FUNC) &R_swig_DoubleType_lo_set, 2},
41089    {"R_swig_OBFormat_FormatFromMIME", (DL_FUNC) &R_swig_OBFormat_FormatFromMIME, 1},
41090    {"R_swig_OBConversion_FormatFromMIME", (DL_FUNC) &R_swig_OBConversion_FormatFromMIME, 1},
41091    {"R_swig_qtrfit", (DL_FUNC) &R_swig_qtrfit, 4},
41092    {"R_swig_OBConformerFilter_IsGood", (DL_FUNC) &R_swig_OBConformerFilter_IsGood, 5},
41093    {"R_swig_OBMolAtomDFSIter_AverageBondAngle", (DL_FUNC) &R_swig_OBMolAtomDFSIter_AverageBondAngle, 2},
41094    {"R_swig_OBMolAtomDFSIter_SmallestBondAngle", (DL_FUNC) &R_swig_OBMolAtomDFSIter_SmallestBondAngle, 2},
41095    {"R_swig_OBMolAtomIter_AverageBondAngle", (DL_FUNC) &R_swig_OBMolAtomIter_AverageBondAngle, 2},
41096    {"R_swig_OBMolAtomIter_SmallestBondAngle", (DL_FUNC) &R_swig_OBMolAtomIter_SmallestBondAngle, 2},
41097    {"R_swig_OBAtom_SmallestBondAngle", (DL_FUNC) &R_swig_OBAtom_SmallestBondAngle, 2},
41098    {"R_swig_OBAtom_AverageBondAngle", (DL_FUNC) &R_swig_OBAtom_AverageBondAngle, 2},
41099    {"R_swig_OBMolAtomBFSIter_SmallestBondAngle", (DL_FUNC) &R_swig_OBMolAtomBFSIter_SmallestBondAngle, 2},
41100    {"R_swig_OBMolAtomBFSIter_AverageBondAngle", (DL_FUNC) &R_swig_OBMolAtomBFSIter_AverageBondAngle, 2},
41101    {"R_swig_OBAtomAtomIter_SmallestBondAngle", (DL_FUNC) &R_swig_OBAtomAtomIter_SmallestBondAngle, 2},
41102    {"R_swig_OBAtomAtomIter_AverageBondAngle", (DL_FUNC) &R_swig_OBAtomAtomIter_AverageBondAngle, 2},
41103    {"R_swig_OBResidueAtomIter_SmallestBondAngle", (DL_FUNC) &R_swig_OBResidueAtomIter_SmallestBondAngle, 2},
41104    {"R_swig_OBResidueAtomIter_AverageBondAngle", (DL_FUNC) &R_swig_OBResidueAtomIter_AverageBondAngle, 2},
41105    {"R_swig_OBForceField_RandomRotorSearchNextConformer__SWIG_1", (DL_FUNC) &R_swig_OBForceField_RandomRotorSearchNextConformer__SWIG_1, 2},
41106    {"R_swig_OBForceField_RandomRotorSearchNextConformer__SWIG_0", (DL_FUNC) &R_swig_OBForceField_RandomRotorSearchNextConformer__SWIG_0, 3},
41107    {"R_swig_OBMol_NextConformer", (DL_FUNC) &R_swig_OBMol_NextConformer, 2},
41108    {"R_swig_OBMol_BeginConformer", (DL_FUNC) &R_swig_OBMol_BeginConformer, 2},
41109    {"R_swig_OBMol_GetConformer", (DL_FUNC) &R_swig_OBMol_GetConformer, 2},
41110    {"R_swig_OBMol_DeleteConformer", (DL_FUNC) &R_swig_OBMol_DeleteConformer, 2},
41111    {"R_swig_OBMol_CopyConformer", (DL_FUNC) &R_swig_OBMol_CopyConformer, 3},
41112    {"R_swig_OBMol_SetConformer", (DL_FUNC) &R_swig_OBMol_SetConformer, 2},
41113    {"R_swig_OBMol_AddConformer", (DL_FUNC) &R_swig_OBMol_AddConformer, 2},
41114    {"R_swig_OBFFConstraint_d_set", (DL_FUNC) &R_swig_OBFFConstraint_d_set, 2},
41115    {"R_swig_OBFFCalculation4_idx_d_set", (DL_FUNC) &R_swig_OBFFCalculation4_idx_d_set, 2},
41116    {"R_swig_OBFFCalculation4_d_set", (DL_FUNC) &R_swig_OBFFCalculation4_d_set, 2},
41117    {"R_swig_OBFFParameter_d_set", (DL_FUNC) &R_swig_OBFFParameter_d_set, 2},
41118    {"R_swig_OBBond_IsUp", (DL_FUNC) &R_swig_OBBond_IsUp, 2},
41119    {"R_swig_OBStereo_ContainsRef", (DL_FUNC) &R_swig_OBStereo_ContainsRef, 3},
41120    {"R_swig_OBConversion_ReadFile", (DL_FUNC) &R_swig_OBConversion_ReadFile, 4},
41121    {"R_swig_OBMolAtomDFSIter_GetX", (DL_FUNC) &R_swig_OBMolAtomDFSIter_GetX, 2},
41122    {"R_swig_OBMolAtomIter_GetX", (DL_FUNC) &R_swig_OBMolAtomIter_GetX, 2},
41123    {"R_swig_OBMolAtomBFSIter_GetX", (DL_FUNC) &R_swig_OBMolAtomBFSIter_GetX, 2},
41124    {"R_swig_OBAtomAtomIter_GetX", (DL_FUNC) &R_swig_OBAtomAtomIter_GetX, 2},
41125    {"R_swig_OBResidueAtomIter_GetX", (DL_FUNC) &R_swig_OBResidueAtomIter_GetX, 2},
41126    {"R_swig_OBMolAtomDFSIter_GetY", (DL_FUNC) &R_swig_OBMolAtomDFSIter_GetY, 2},
41127    {"R_swig_OBMolAtomIter_GetY", (DL_FUNC) &R_swig_OBMolAtomIter_GetY, 2},
41128    {"R_swig_OBMolAtomBFSIter_GetY", (DL_FUNC) &R_swig_OBMolAtomBFSIter_GetY, 2},
41129    {"R_swig_OBAtomAtomIter_GetY", (DL_FUNC) &R_swig_OBAtomAtomIter_GetY, 2},
41130    {"R_swig_OBResidueAtomIter_GetY", (DL_FUNC) &R_swig_OBResidueAtomIter_GetY, 2},
41131    {"R_swig_OBMolAtomDFSIter_GetZ", (DL_FUNC) &R_swig_OBMolAtomDFSIter_GetZ, 2},
41132    {"R_swig_OBMolAtomIter_GetZ", (DL_FUNC) &R_swig_OBMolAtomIter_GetZ, 2},
41133    {"R_swig_OBMolAtomBFSIter_GetZ", (DL_FUNC) &R_swig_OBMolAtomBFSIter_GetZ, 2},
41134    {"R_swig_OBAtomAtomIter_GetZ", (DL_FUNC) &R_swig_OBAtomAtomIter_GetZ, 2},
41135    {"R_swig_OBResidueAtomIter_GetZ", (DL_FUNC) &R_swig_OBResidueAtomIter_GetZ, 2},
41136    {"R_swig_OBReaction_SetTransitionState", (DL_FUNC) &R_swig_OBReaction_SetTransitionState, 2},
41137    {"R_swig_OBReaction_GetTransitionState", (DL_FUNC) &R_swig_OBReaction_GetTransitionState, 2},
41138    {"R_swig_OBRotorList_SetFixAtoms", (DL_FUNC) &R_swig_OBRotorList_SetFixAtoms, 2},
41139    {"R_swig_OBForceField_UnsetFixAtom", (DL_FUNC) &R_swig_OBForceField_UnsetFixAtom, 1},
41140    {"R_swig_OBForceField_SetFixAtom", (DL_FUNC) &R_swig_OBForceField_SetFixAtom, 2},
41141    {"R_swig_OBBond_SetBO", (DL_FUNC) &R_swig_OBBond_SetBO, 2},
41142    {"R_swig_OBMolBondBFSIter_SetBO", (DL_FUNC) &R_swig_OBMolBondBFSIter_SetBO, 2},
41143    {"R_swig_OBMolBondIter_SetBO", (DL_FUNC) &R_swig_OBMolBondIter_SetBO, 2},
41144    {"R_swig_OBAtomBondIter_SetBO", (DL_FUNC) &R_swig_OBAtomBondIter_SetBO, 2},
41145    {"R_swig_delete_OBPlugin", (DL_FUNC) &R_swig_delete_OBPlugin, 1},
41146    {"R_swig_OBPlugin_GetPlugin", (DL_FUNC) &R_swig_OBPlugin_GetPlugin, 2},
41147    {"R_swig_new_OBChainsParser", (DL_FUNC) &R_swig_new_OBChainsParser, 0},
41148    {"R_swig_delete_OBChainsParser", (DL_FUNC) &R_swig_delete_OBChainsParser, 1},
41149    {"R_swig_FastSearch_GetIndexHeader", (DL_FUNC) &R_swig_FastSearch_GetIndexHeader, 2},
41150    {"R_swig_delete_FptIndexHeader", (DL_FUNC) &R_swig_delete_FptIndexHeader, 1},
41151    {"R_swig_new_FptIndexHeader", (DL_FUNC) &R_swig_new_FptIndexHeader, 0},
41152    {"R_swig_OBMolAtomDFSIter_GetBond", (DL_FUNC) &R_swig_OBMolAtomDFSIter_GetBond, 2},
41153    {"R_swig_OBMolAtomIter_GetBond", (DL_FUNC) &R_swig_OBMolAtomIter_GetBond, 2},
41154    {"R_swig_OBRotor_GetBond", (DL_FUNC) &R_swig_OBRotor_GetBond, 1},
41155    {"R_swig_OBRotor_SetBond", (DL_FUNC) &R_swig_OBRotor_SetBond, 2},
41156    {"R_swig_OBQuery_GetBond", (DL_FUNC) &R_swig_OBQuery_GetBond, 3},
41157    {"R_swig_OBSmartsPattern_GetBond", (DL_FUNC) &R_swig_OBSmartsPattern_GetBond, 5},
41158    {"R_swig_OBExternalBond_SetBond", (DL_FUNC) &R_swig_OBExternalBond_SetBond, 2},
41159    {"R_swig_OBExternalBond_GetBond", (DL_FUNC) &R_swig_OBExternalBond_GetBond, 1},
41160    {"R_swig_OBAtom_GetBond", (DL_FUNC) &R_swig_OBAtom_GetBond, 2},
41161    {"R_swig_OBMolAtomBFSIter_GetBond", (DL_FUNC) &R_swig_OBMolAtomBFSIter_GetBond, 2},
41162    {"R_swig_OBAtomAtomIter_GetBond", (DL_FUNC) &R_swig_OBAtomAtomIter_GetBond, 2},
41163    {"R_swig_OBResidueAtomIter_GetBond", (DL_FUNC) &R_swig_OBResidueAtomIter_GetBond, 2},
41164    {"R_swig_OBGridData_GetNumSymmetries", (DL_FUNC) &R_swig_OBGridData_GetNumSymmetries, 2},
41165    {"R_swig_OBGridData_SetNumSymmetries", (DL_FUNC) &R_swig_OBGridData_SetNumSymmetries, 2},
41166    {"R_swig_vvpairUIntUInt_swap", (DL_FUNC) &R_swig_vvpairUIntUInt_swap, 2},
41167    {"R_swig_OBMolAtomDFSIter_GetHeteroValence", (DL_FUNC) &R_swig_OBMolAtomDFSIter_GetHeteroValence, 2},
41168    {"R_swig_OBMolAtomDFSIter_GetHvyValence", (DL_FUNC) &R_swig_OBMolAtomDFSIter_GetHvyValence, 2},
41169    {"R_swig_OBMolAtomDFSIter_GetImplicitValence", (DL_FUNC) &R_swig_OBMolAtomDFSIter_GetImplicitValence, 2},
41170    {"R_swig_OBMolAtomDFSIter_GetValence", (DL_FUNC) &R_swig_OBMolAtomDFSIter_GetValence, 2},
41171    {"R_swig_OBMolAtomDFSIter_DecrementImplicitValence", (DL_FUNC) &R_swig_OBMolAtomDFSIter_DecrementImplicitValence, 1},
41172    {"R_swig_OBMolAtomDFSIter_IncrementImplicitValence", (DL_FUNC) &R_swig_OBMolAtomDFSIter_IncrementImplicitValence, 1},
41173    {"R_swig_OBMolAtomDFSIter_SetImplicitValence", (DL_FUNC) &R_swig_OBMolAtomDFSIter_SetImplicitValence, 2},
41174    {"R_swig_OBMolAtomIter_GetHeteroValence", (DL_FUNC) &R_swig_OBMolAtomIter_GetHeteroValence, 2},
41175    {"R_swig_OBMolAtomIter_GetHvyValence", (DL_FUNC) &R_swig_OBMolAtomIter_GetHvyValence, 2},
41176    {"R_swig_OBMolAtomIter_GetImplicitValence", (DL_FUNC) &R_swig_OBMolAtomIter_GetImplicitValence, 2},
41177    {"R_swig_OBMolAtomIter_GetValence", (DL_FUNC) &R_swig_OBMolAtomIter_GetValence, 2},
41178    {"R_swig_OBMolAtomIter_DecrementImplicitValence", (DL_FUNC) &R_swig_OBMolAtomIter_DecrementImplicitValence, 1},
41179    {"R_swig_OBMolAtomIter_IncrementImplicitValence", (DL_FUNC) &R_swig_OBMolAtomIter_IncrementImplicitValence, 1},
41180    {"R_swig_OBMolAtomIter_SetImplicitValence", (DL_FUNC) &R_swig_OBMolAtomIter_SetImplicitValence, 2},
41181    {"R_swig_OBAtom_SetImplicitValence", (DL_FUNC) &R_swig_OBAtom_SetImplicitValence, 2},
41182    {"R_swig_OBAtom_IncrementImplicitValence", (DL_FUNC) &R_swig_OBAtom_IncrementImplicitValence, 1},
41183    {"R_swig_OBAtom_DecrementImplicitValence", (DL_FUNC) &R_swig_OBAtom_DecrementImplicitValence, 1},
41184    {"R_swig_OBAtom_GetValence", (DL_FUNC) &R_swig_OBAtom_GetValence, 2},
41185    {"R_swig_OBAtom_GetImplicitValence", (DL_FUNC) &R_swig_OBAtom_GetImplicitValence, 2},
41186    {"R_swig_OBAtom_GetHvyValence", (DL_FUNC) &R_swig_OBAtom_GetHvyValence, 2},
41187    {"R_swig_OBAtom_GetHeteroValence", (DL_FUNC) &R_swig_OBAtom_GetHeteroValence, 2},
41188    {"R_swig_OBMolAtomBFSIter_SetImplicitValence", (DL_FUNC) &R_swig_OBMolAtomBFSIter_SetImplicitValence, 2},
41189    {"R_swig_OBMolAtomBFSIter_IncrementImplicitValence", (DL_FUNC) &R_swig_OBMolAtomBFSIter_IncrementImplicitValence, 1},
41190    {"R_swig_OBMolAtomBFSIter_DecrementImplicitValence", (DL_FUNC) &R_swig_OBMolAtomBFSIter_DecrementImplicitValence, 1},
41191    {"R_swig_OBMolAtomBFSIter_GetValence", (DL_FUNC) &R_swig_OBMolAtomBFSIter_GetValence, 2},
41192    {"R_swig_OBMolAtomBFSIter_GetImplicitValence", (DL_FUNC) &R_swig_OBMolAtomBFSIter_GetImplicitValence, 2},
41193    {"R_swig_OBMolAtomBFSIter_GetHvyValence", (DL_FUNC) &R_swig_OBMolAtomBFSIter_GetHvyValence, 2},
41194    {"R_swig_OBMolAtomBFSIter_GetHeteroValence", (DL_FUNC) &R_swig_OBMolAtomBFSIter_GetHeteroValence, 2},
41195    {"R_swig_OBAtomAtomIter_SetImplicitValence", (DL_FUNC) &R_swig_OBAtomAtomIter_SetImplicitValence, 2},
41196    {"R_swig_OBAtomAtomIter_IncrementImplicitValence", (DL_FUNC) &R_swig_OBAtomAtomIter_IncrementImplicitValence, 1},
41197    {"R_swig_OBAtomAtomIter_DecrementImplicitValence", (DL_FUNC) &R_swig_OBAtomAtomIter_DecrementImplicitValence, 1},
41198    {"R_swig_OBAtomAtomIter_GetValence", (DL_FUNC) &R_swig_OBAtomAtomIter_GetValence, 2},
41199    {"R_swig_OBAtomAtomIter_GetImplicitValence", (DL_FUNC) &R_swig_OBAtomAtomIter_GetImplicitValence, 2},
41200    {"R_swig_OBAtomAtomIter_GetHvyValence", (DL_FUNC) &R_swig_OBAtomAtomIter_GetHvyValence, 2},
41201    {"R_swig_OBAtomAtomIter_GetHeteroValence", (DL_FUNC) &R_swig_OBAtomAtomIter_GetHeteroValence, 2},
41202    {"R_swig_OBResidueAtomIter_SetImplicitValence", (DL_FUNC) &R_swig_OBResidueAtomIter_SetImplicitValence, 2},
41203    {"R_swig_OBResidueAtomIter_IncrementImplicitValence", (DL_FUNC) &R_swig_OBResidueAtomIter_IncrementImplicitValence, 1},
41204    {"R_swig_OBResidueAtomIter_DecrementImplicitValence", (DL_FUNC) &R_swig_OBResidueAtomIter_DecrementImplicitValence, 1},
41205    {"R_swig_OBResidueAtomIter_GetValence", (DL_FUNC) &R_swig_OBResidueAtomIter_GetValence, 2},
41206    {"R_swig_OBResidueAtomIter_GetImplicitValence", (DL_FUNC) &R_swig_OBResidueAtomIter_GetImplicitValence, 2},
41207    {"R_swig_OBResidueAtomIter_GetHvyValence", (DL_FUNC) &R_swig_OBResidueAtomIter_GetHvyValence, 2},
41208    {"R_swig_OBResidueAtomIter_GetHeteroValence", (DL_FUNC) &R_swig_OBResidueAtomIter_GetHeteroValence, 2},
41209    {"R_swig_OBBuilder_AddNbrs", (DL_FUNC) &R_swig_OBBuilder_AddNbrs, 2},
41210    {"R_swig_OBRingSearch_WriteRings", (DL_FUNC) &R_swig_OBRingSearch_WriteRings, 1},
41211    {"R_swig_OBFFConstraints_IsYFixed", (DL_FUNC) &R_swig_OBFFConstraints_IsYFixed, 3},
41212    {"R_swig_OBConformerSearch_SetFilter", (DL_FUNC) &R_swig_OBConformerSearch_SetFilter, 2},
41213    {"R_swig_delete_OBStericConformerFilter", (DL_FUNC) &R_swig_delete_OBStericConformerFilter, 1},
41214    {"R_swig_delete_OBConformerFilter", (DL_FUNC) &R_swig_delete_OBConformerFilter, 1},
41215    {"R_swig_OBFFConstraint_b_get", (DL_FUNC) &R_swig_OBFFConstraint_b_get, 1},
41216    {"R_swig_OBFFCalculation2_idx_b_get", (DL_FUNC) &R_swig_OBFFCalculation2_idx_b_get, 2},
41217    {"R_swig_OBFFCalculation2_b_get", (DL_FUNC) &R_swig_OBFFCalculation2_b_get, 1},
41218    {"R_swig_OBFFParameter_b_get", (DL_FUNC) &R_swig_OBFFParameter_b_get, 2},
41219    {"R_swig_delete_OBGenericData", (DL_FUNC) &R_swig_delete_OBGenericData, 1},
41220    {"R_swig_delete_vectorpOBGenericData", (DL_FUNC) &R_swig_delete_vectorpOBGenericData, 1},
41221    {"R_swig_OBForceField_AddIntraGroup", (DL_FUNC) &R_swig_OBForceField_AddIntraGroup, 2},
41222    {"R_swig_OBVibrationData_GetRamanActivities", (DL_FUNC) &R_swig_OBVibrationData_GetRamanActivities, 2},
41223    {"R_swig_OBBitVec_GetSize", (DL_FUNC) &R_swig_OBBitVec_GetSize, 2},
41224    {"R_swig_OBGlobalDataBase_GetSize", (DL_FUNC) &R_swig_OBGlobalDataBase_GetSize, 2},
41225    {"R_swig_OBTorsion_GetSize", (DL_FUNC) &R_swig_OBTorsion_GetSize, 2},
41226    {"R_swig_OBTorsionData_GetSize", (DL_FUNC) &R_swig_OBTorsionData_GetSize, 2},
41227    {"R_swig_OBAngleData_GetSize", (DL_FUNC) &R_swig_OBAngleData_GetSize, 2},
41228    {"R_swig_OBChiralData_GetSize", (DL_FUNC) &R_swig_OBChiralData_GetSize, 3},
41229    {"R_swig_OBMolAtomIter_HasSingleBond", (DL_FUNC) &R_swig_OBMolAtomIter_HasSingleBond, 2},
41230    {"R_swig_OBMolAtomIter_HasNonSingleBond", (DL_FUNC) &R_swig_OBMolAtomIter_HasNonSingleBond, 2},
41231    {"R_swig_OBAtom_HasNonSingleBond", (DL_FUNC) &R_swig_OBAtom_HasNonSingleBond, 2},
41232    {"R_swig_OBAtom_HasSingleBond", (DL_FUNC) &R_swig_OBAtom_HasSingleBond, 2},
41233    {"R_swig_OBMolAtomDFSIter_HasNonSingleBond", (DL_FUNC) &R_swig_OBMolAtomDFSIter_HasNonSingleBond, 2},
41234    {"R_swig_OBMolAtomDFSIter_HasSingleBond", (DL_FUNC) &R_swig_OBMolAtomDFSIter_HasSingleBond, 2},
41235    {"R_swig_OBMolAtomBFSIter_HasNonSingleBond", (DL_FUNC) &R_swig_OBMolAtomBFSIter_HasNonSingleBond, 2},
41236    {"R_swig_OBMolAtomBFSIter_HasSingleBond", (DL_FUNC) &R_swig_OBMolAtomBFSIter_HasSingleBond, 2},
41237    {"R_swig_OBAtomAtomIter_HasNonSingleBond", (DL_FUNC) &R_swig_OBAtomAtomIter_HasNonSingleBond, 2},
41238    {"R_swig_OBAtomAtomIter_HasSingleBond", (DL_FUNC) &R_swig_OBAtomAtomIter_HasSingleBond, 2},
41239    {"R_swig_OBResidueAtomIter_HasNonSingleBond", (DL_FUNC) &R_swig_OBResidueAtomIter_HasNonSingleBond, 2},
41240    {"R_swig_OBResidueAtomIter_HasSingleBond", (DL_FUNC) &R_swig_OBResidueAtomIter_HasSingleBond, 2},
41241    {"R_swig_OBVirtualBond_GetOrder", (DL_FUNC) &R_swig_OBVirtualBond_GetOrder, 2},
41242    {"R_swig_OBMolAtomDFSIter_GetCoordinateIdx", (DL_FUNC) &R_swig_OBMolAtomDFSIter_GetCoordinateIdx, 2},
41243    {"R_swig_OBMolAtomIter_GetCoordinateIdx", (DL_FUNC) &R_swig_OBMolAtomIter_GetCoordinateIdx, 2},
41244    {"R_swig_OBAtom_GetCoordinateIdx", (DL_FUNC) &R_swig_OBAtom_GetCoordinateIdx, 2},
41245    {"R_swig_OBMolAtomBFSIter_GetCoordinateIdx", (DL_FUNC) &R_swig_OBMolAtomBFSIter_GetCoordinateIdx, 2},
41246    {"R_swig_OBAtomAtomIter_GetCoordinateIdx", (DL_FUNC) &R_swig_OBAtomAtomIter_GetCoordinateIdx, 2},
41247    {"R_swig_OBResidueAtomIter_GetCoordinateIdx", (DL_FUNC) &R_swig_OBResidueAtomIter_GetCoordinateIdx, 2},
41248    {"R_swig_OBRingSearch_AddRingFromClosure", (DL_FUNC) &R_swig_OBRingSearch_AddRingFromClosure, 3},
41249    {"R_swig_OBBond_SetClosure", (DL_FUNC) &R_swig_OBBond_SetClosure, 1},
41250    {"R_swig_OBBond_IsClosure", (DL_FUNC) &R_swig_OBBond_IsClosure, 2},
41251    {"R_swig_OBElement_GetRed", (DL_FUNC) &R_swig_OBElement_GetRed, 2},
41252    {"R_swig_OBMolBondBFSIter_SetClosure", (DL_FUNC) &R_swig_OBMolBondBFSIter_SetClosure, 1},
41253    {"R_swig_OBMolBondBFSIter_IsClosure", (DL_FUNC) &R_swig_OBMolBondBFSIter_IsClosure, 2},
41254    {"R_swig_OBMolBondIter_SetClosure", (DL_FUNC) &R_swig_OBMolBondIter_SetClosure, 1},
41255    {"R_swig_OBMolBondIter_IsClosure", (DL_FUNC) &R_swig_OBMolBondIter_IsClosure, 2},
41256    {"R_swig_OBAtomBondIter_SetClosure", (DL_FUNC) &R_swig_OBAtomBondIter_SetClosure, 1},
41257    {"R_swig_OBAtomBondIter_IsClosure", (DL_FUNC) &R_swig_OBAtomBondIter_IsClosure, 2},
41258    {"R_swig_isotab_get", (DL_FUNC) &R_swig_isotab_get, 1},
41259    {"R_swig_ttab_get", (DL_FUNC) &R_swig_ttab_get, 1},
41260    {"R_swig_etab_get", (DL_FUNC) &R_swig_etab_get, 1},
41261    {"R_swig_OBForceField_Validate", (DL_FUNC) &R_swig_OBForceField_Validate, 2},
41262    {"R_swig_delete_vectorUnsignedInt", (DL_FUNC) &R_swig_delete_vectorUnsignedInt, 1},
41263    {"R_swig_OBGenericData_GetDataType", (DL_FUNC) &R_swig_OBGenericData_GetDataType, 2},
41264    {"R_swig_FptIndexHeader_words_set", (DL_FUNC) &R_swig_FptIndexHeader_words_set, 2},
41265    {"R_swig_OBTetrahedralConfig_from_or_towards_set", (DL_FUNC) &R_swig_OBTetrahedralConfig_from_or_towards_set, 2},
41266    {"R_swig_OBAlign_GetRotMatrix", (DL_FUNC) &R_swig_OBAlign_GetRotMatrix, 2},
41267    {"R_swig_matrix3x3_isUnitMatrix", (DL_FUNC) &R_swig_matrix3x3_isUnitMatrix, 2},
41268    {"R_swig_OBMolAtomDFSIter_HasMore", (DL_FUNC) &R_swig_OBMolAtomDFSIter_HasMore, 2},
41269    {"R_swig_OBMolAtomIter_HasMore", (DL_FUNC) &R_swig_OBMolAtomIter_HasMore, 2},
41270    {"R_swig_OBMolAtomBFSIter_HasMore", (DL_FUNC) &R_swig_OBMolAtomBFSIter_HasMore, 2},
41271    {"R_swig_OBMolBondIter_HasMore", (DL_FUNC) &R_swig_OBMolBondIter_HasMore, 2},
41272    {"R_swig_OBAtomAtomIter_HasMore", (DL_FUNC) &R_swig_OBAtomAtomIter_HasMore, 2},
41273    {"R_swig_OBAtomBondIter_HasMore", (DL_FUNC) &R_swig_OBAtomBondIter_HasMore, 2},
41274    {"R_swig_OBResidueIter_HasMore", (DL_FUNC) &R_swig_OBResidueIter_HasMore, 2},
41275    {"R_swig_OBResidueAtomIter_HasMore", (DL_FUNC) &R_swig_OBResidueAtomIter_HasMore, 2},
41276    {"R_swig_OBMolAngleIter_HasMore", (DL_FUNC) &R_swig_OBMolAngleIter_HasMore, 2},
41277    {"R_swig_OBMolTorsionIter_HasMore", (DL_FUNC) &R_swig_OBMolTorsionIter_HasMore, 2},
41278    {"R_swig_OBMolPairIter_HasMore", (DL_FUNC) &R_swig_OBMolPairIter_HasMore, 2},
41279    {"R_swig_OBMolRingIter_HasMore", (DL_FUNC) &R_swig_OBMolRingIter_HasMore, 2},
41280    {"R_swig_StereoFrom0D", (DL_FUNC) &R_swig_StereoFrom0D, 1},
41281    {"R_swig_CartesianToInternal", (DL_FUNC) &R_swig_CartesianToInternal, 2},
41282    {"R_swig_OBConversion_GetAuxConv", (DL_FUNC) &R_swig_OBConversion_GetAuxConv, 1},
41283    {"R_swig_OBConversion_SetAuxConv", (DL_FUNC) &R_swig_OBConversion_SetAuxConv, 2},
41284    {"R_swig_FptIndexHeader_fpid_set", (DL_FUNC) &R_swig_FptIndexHeader_fpid_set, 2},
41285    {"R_swig_OBRotorKeys_NumKeys", (DL_FUNC) &R_swig_OBRotorKeys_NumKeys, 2},
41286    {"R_swig_OBPlugin_TypeID", (DL_FUNC) &R_swig_OBPlugin_TypeID, 1},
41287    {"R_swig_OBResidue_SetHetAtom", (DL_FUNC) &R_swig_OBResidue_SetHetAtom, 3},
41288    {"R_swig_OBResidue_IsHetAtom", (DL_FUNC) &R_swig_OBResidue_IsHetAtom, 3},
41289    {"R_swig_OBResidueIter_SetHetAtom", (DL_FUNC) &R_swig_OBResidueIter_SetHetAtom, 3},
41290    {"R_swig_OBResidueIter_IsHetAtom", (DL_FUNC) &R_swig_OBResidueIter_IsHetAtom, 3},
41291    {"R_swig_OBAlign_GetRMSD", (DL_FUNC) &R_swig_OBAlign_GetRMSD, 2},
41292    {"R_swig_OBMol_FindLSSR", (DL_FUNC) &R_swig_OBMol_FindLSSR, 1},
41293    {"R_swig_OBPlugin_FirstLine", (DL_FUNC) &R_swig_OBPlugin_FirstLine, 2},
41294    {"R_swig_OBMolAtomIter_Clear", (DL_FUNC) &R_swig_OBMolAtomIter_Clear, 2},
41295    {"R_swig_OBRotorList_Clear", (DL_FUNC) &R_swig_OBRotorList_Clear, 1},
41296    {"R_swig_OBTorsion_Clear", (DL_FUNC) &R_swig_OBTorsion_Clear, 1},
41297    {"R_swig_OBMolAtomDFSIter_Clear", (DL_FUNC) &R_swig_OBMolAtomDFSIter_Clear, 2},
41298    {"R_swig_OBMolAtomBFSIter_Clear", (DL_FUNC) &R_swig_OBMolAtomBFSIter_Clear, 2},
41299    {"R_swig_OBMolBondBFSIter_Clear", (DL_FUNC) &R_swig_OBMolBondBFSIter_Clear, 2},
41300    {"R_swig_OBMolBondIter_Clear", (DL_FUNC) &R_swig_OBMolBondIter_Clear, 2},
41301    {"R_swig_OBAtomAtomIter_Clear", (DL_FUNC) &R_swig_OBAtomAtomIter_Clear, 2},
41302    {"R_swig_OBAtomBondIter_Clear", (DL_FUNC) &R_swig_OBAtomBondIter_Clear, 2},
41303    {"R_swig_OBResidueIter_Clear", (DL_FUNC) &R_swig_OBResidueIter_Clear, 2},
41304    {"R_swig_OBResidueAtomIter_Clear", (DL_FUNC) &R_swig_OBResidueAtomIter_Clear, 2},
41305    {"R_swig_vector3_length_2", (DL_FUNC) &R_swig_vector3_length_2, 2},
41306    {"R_swig_OBMolAtomDFSIter_IsAromaticNOxide", (DL_FUNC) &R_swig_OBMolAtomDFSIter_IsAromaticNOxide, 2},
41307    {"R_swig_OBMolAtomIter_IsAromaticNOxide", (DL_FUNC) &R_swig_OBMolAtomIter_IsAromaticNOxide, 2},
41308    {"R_swig_OBAtom_IsAromaticNOxide", (DL_FUNC) &R_swig_OBAtom_IsAromaticNOxide, 2},
41309    {"R_swig_OBMolAtomBFSIter_IsAromaticNOxide", (DL_FUNC) &R_swig_OBMolAtomBFSIter_IsAromaticNOxide, 2},
41310    {"R_swig_OBAtomAtomIter_IsAromaticNOxide", (DL_FUNC) &R_swig_OBAtomAtomIter_IsAromaticNOxide, 2},
41311    {"R_swig_OBResidueAtomIter_IsAromaticNOxide", (DL_FUNC) &R_swig_OBResidueAtomIter_IsAromaticNOxide, 2},
41312    {"R_swig_OBBond_UnsetKekule", (DL_FUNC) &R_swig_OBBond_UnsetKekule, 1},
41313    {"R_swig_OBMolBondBFSIter_UnsetKekule", (DL_FUNC) &R_swig_OBMolBondBFSIter_UnsetKekule, 1},
41314    {"R_swig_OBMolBondIter_UnsetKekule", (DL_FUNC) &R_swig_OBMolBondIter_UnsetKekule, 1},
41315    {"R_swig_OBAtomBondIter_UnsetKekule", (DL_FUNC) &R_swig_OBAtomBondIter_UnsetKekule, 1},
41316    {"R_swig_vectorInt_size", (DL_FUNC) &R_swig_vectorInt_size, 2},
41317    {"R_swig_vectorUnsignedInt_size", (DL_FUNC) &R_swig_vectorUnsignedInt_size, 2},
41318    {"R_swig_vectorvInt_size", (DL_FUNC) &R_swig_vectorvInt_size, 2},
41319    {"R_swig_vpairUIntUInt_size", (DL_FUNC) &R_swig_vpairUIntUInt_size, 2},
41320    {"R_swig_vvpairUIntUInt_size", (DL_FUNC) &R_swig_vvpairUIntUInt_size, 2},
41321    {"R_swig_OBMolAtomDFSIter_LewisAcidBaseCounts", (DL_FUNC) &R_swig_OBMolAtomDFSIter_LewisAcidBaseCounts, 2},
41322    {"R_swig_OBMolAtomIter_LewisAcidBaseCounts", (DL_FUNC) &R_swig_OBMolAtomIter_LewisAcidBaseCounts, 2},
41323    {"R_swig_OBAtom_LewisAcidBaseCounts", (DL_FUNC) &R_swig_OBAtom_LewisAcidBaseCounts, 2},
41324    {"R_swig_OBMolAtomBFSIter_LewisAcidBaseCounts", (DL_FUNC) &R_swig_OBMolAtomBFSIter_LewisAcidBaseCounts, 2},
41325    {"R_swig_OBAtomAtomIter_LewisAcidBaseCounts", (DL_FUNC) &R_swig_OBAtomAtomIter_LewisAcidBaseCounts, 2},
41326    {"R_swig_OBResidueAtomIter_LewisAcidBaseCounts", (DL_FUNC) &R_swig_OBResidueAtomIter_LewisAcidBaseCounts, 2},
41327    {"R_swig_OBForceField_SystematicRotorSearchInitialize__SWIG_1", (DL_FUNC) &R_swig_OBForceField_SystematicRotorSearchInitialize__SWIG_1, 2},
41328    {"R_swig_OBForceField_SystematicRotorSearchInitialize__SWIG_0", (DL_FUNC) &R_swig_OBForceField_SystematicRotorSearchInitialize__SWIG_0, 3},
41329    {"R_swig_delete_OBSSMatch", (DL_FUNC) &R_swig_delete_OBSSMatch, 1},
41330    {"R_swig_new_OBSSMatch", (DL_FUNC) &R_swig_new_OBSSMatch, 2},
41331    {"R_swig_OBError_GetError", (DL_FUNC) &R_swig_OBError_GetError, 2},
41332    {"R_swig_OBVirtualBond_GetBgn", (DL_FUNC) &R_swig_OBVirtualBond_GetBgn, 2},
41333    {"R_swig_OBConformerSearch_SetCrossoverProbability", (DL_FUNC) &R_swig_OBConformerSearch_SetCrossoverProbability, 2},
41334    {"R_swig_OBConformerSearch_GetCrossoverProbability", (DL_FUNC) &R_swig_OBConformerSearch_GetCrossoverProbability, 2},
41335    {"R_swig_OBConformerSearch_SetMutability", (DL_FUNC) &R_swig_OBConformerSearch_SetMutability, 2},
41336    {"R_swig_OBResidue_EndAtoms", (DL_FUNC) &R_swig_OBResidue_EndAtoms, 2},
41337    {"R_swig_OBResidueIter_EndAtoms", (DL_FUNC) &R_swig_OBResidueIter_EndAtoms, 2},
41338    {"R_swig_OBSetData_GetBegin", (DL_FUNC) &R_swig_OBSetData_GetBegin, 2},
41339    {"R_swig_OBBond_SetBegin", (DL_FUNC) &R_swig_OBBond_SetBegin, 2},
41340    {"R_swig_OBMolBondBFSIter_SetBegin", (DL_FUNC) &R_swig_OBMolBondBFSIter_SetBegin, 2},
41341    {"R_swig_OBMolBondIter_SetBegin", (DL_FUNC) &R_swig_OBMolBondIter_SetBegin, 2},
41342    {"R_swig_OBAtomBondIter_SetBegin", (DL_FUNC) &R_swig_OBAtomBondIter_SetBegin, 2},
41343    {"R_swig_OBResidueData_LookupType", (DL_FUNC) &R_swig_OBResidueData_LookupType, 5},
41344    {"R_swig_DoubleType_hi_get", (DL_FUNC) &R_swig_DoubleType_hi_get, 2},
41345    {"R_swig_OBForceField_IsSetupNeeded", (DL_FUNC) &R_swig_OBForceField_IsSetupNeeded, 3},
41346    {"R_swig_OBAtomHOF_Desc", (DL_FUNC) &R_swig_OBAtomHOF_Desc, 2},
41347    {"R_swig_OBDOSData_GetFermiEnergy", (DL_FUNC) &R_swig_OBDOSData_GetFermiEnergy, 2},
41348    {"R_swig_OBDescriptor_GetIdentifier", (DL_FUNC) &R_swig_OBDescriptor_GetIdentifier, 2},
41349    {"R_swig_OBResidue_SetChain", (DL_FUNC) &R_swig_OBResidue_SetChain, 2},
41350    {"R_swig_OBResidue_GetChain", (DL_FUNC) &R_swig_OBResidue_GetChain, 2},
41351    {"R_swig_OBMolAtomDFSIter_NextNbrAtom", (DL_FUNC) &R_swig_OBMolAtomDFSIter_NextNbrAtom, 2},
41352    {"R_swig_OBMolAtomDFSIter_BeginNbrAtom", (DL_FUNC) &R_swig_OBMolAtomDFSIter_BeginNbrAtom, 2},
41353    {"R_swig_OBMolAtomIter_NextNbrAtom", (DL_FUNC) &R_swig_OBMolAtomIter_NextNbrAtom, 2},
41354    {"R_swig_OBMolAtomIter_BeginNbrAtom", (DL_FUNC) &R_swig_OBMolAtomIter_BeginNbrAtom, 2},
41355    {"R_swig_OBAtom_BeginNbrAtom", (DL_FUNC) &R_swig_OBAtom_BeginNbrAtom, 2},
41356    {"R_swig_OBAtom_NextNbrAtom", (DL_FUNC) &R_swig_OBAtom_NextNbrAtom, 2},
41357    {"R_swig_OBBond_GetNbrAtom", (DL_FUNC) &R_swig_OBBond_GetNbrAtom, 2},
41358    {"R_swig_OBMolAtomBFSIter_BeginNbrAtom", (DL_FUNC) &R_swig_OBMolAtomBFSIter_BeginNbrAtom, 2},
41359    {"R_swig_OBMolAtomBFSIter_NextNbrAtom", (DL_FUNC) &R_swig_OBMolAtomBFSIter_NextNbrAtom, 2},
41360    {"R_swig_OBMolBondBFSIter_GetNbrAtom", (DL_FUNC) &R_swig_OBMolBondBFSIter_GetNbrAtom, 2},
41361    {"R_swig_OBMolBondIter_GetNbrAtom", (DL_FUNC) &R_swig_OBMolBondIter_GetNbrAtom, 2},
41362    {"R_swig_OBAtomAtomIter_BeginNbrAtom", (DL_FUNC) &R_swig_OBAtomAtomIter_BeginNbrAtom, 2},
41363    {"R_swig_OBAtomAtomIter_NextNbrAtom", (DL_FUNC) &R_swig_OBAtomAtomIter_NextNbrAtom, 2},
41364    {"R_swig_OBAtomBondIter_GetNbrAtom", (DL_FUNC) &R_swig_OBAtomBondIter_GetNbrAtom, 2},
41365    {"R_swig_OBResidueIter_SetChain", (DL_FUNC) &R_swig_OBResidueIter_SetChain, 2},
41366    {"R_swig_OBResidueIter_GetChain", (DL_FUNC) &R_swig_OBResidueIter_GetChain, 2},
41367    {"R_swig_OBResidueAtomIter_BeginNbrAtom", (DL_FUNC) &R_swig_OBResidueAtomIter_BeginNbrAtom, 2},
41368    {"R_swig_OBResidueAtomIter_NextNbrAtom", (DL_FUNC) &R_swig_OBResidueAtomIter_NextNbrAtom, 2},
41369    {"R_swig_OBForceField_GetUpdateFrequency", (DL_FUNC) &R_swig_OBForceField_GetUpdateFrequency, 2},
41370    {"R_swig_OBForceField_SetUpdateFrequency", (DL_FUNC) &R_swig_OBForceField_SetUpdateFrequency, 2},
41371    {"R_swig_OBBond_IsAmide", (DL_FUNC) &R_swig_OBBond_IsAmide, 2},
41372    {"R_swig_OBBitVec_EndBit", (DL_FUNC) &R_swig_OBBitVec_EndBit, 2},
41373    {"R_swig_OBMolBondBFSIter_IsAmide", (DL_FUNC) &R_swig_OBMolBondBFSIter_IsAmide, 2},
41374    {"R_swig_OBMolBondIter_IsAmide", (DL_FUNC) &R_swig_OBMolBondIter_IsAmide, 2},
41375    {"R_swig_OBAtomBondIter_IsAmide", (DL_FUNC) &R_swig_OBAtomBondIter_IsAmide, 2},
41376    {"R_swig_OBMolAtomDFSIter_DeleteBond", (DL_FUNC) &R_swig_OBMolAtomDFSIter_DeleteBond, 3},
41377    {"R_swig_OBMolAtomIter_DeleteBond", (DL_FUNC) &R_swig_OBMolAtomIter_DeleteBond, 3},
41378    {"R_swig_OBAtom_DeleteBond", (DL_FUNC) &R_swig_OBAtom_DeleteBond, 3},
41379    {"R_swig_OBMol_CreateBond", (DL_FUNC) &R_swig_OBMol_CreateBond, 1},
41380    {"R_swig_OBMolAtomBFSIter_DeleteBond", (DL_FUNC) &R_swig_OBMolAtomBFSIter_DeleteBond, 3},
41381    {"R_swig_OBAtomAtomIter_DeleteBond", (DL_FUNC) &R_swig_OBAtomAtomIter_DeleteBond, 3},
41382    {"R_swig_OBResidueAtomIter_DeleteBond", (DL_FUNC) &R_swig_OBResidueAtomIter_DeleteBond, 3},
41383    {"R_swig_OBBond_IsDown", (DL_FUNC) &R_swig_OBBond_IsDown, 2},
41384    {"R_swig_OBMolBondBFSIter_IsDown", (DL_FUNC) &R_swig_OBMolBondBFSIter_IsDown, 2},
41385    {"R_swig_OBMolBondIter_IsDown", (DL_FUNC) &R_swig_OBMolBondIter_IsDown, 2},
41386    {"R_swig_OBAtomBondIter_IsDown", (DL_FUNC) &R_swig_OBAtomBondIter_IsDown, 2},
41387    {"R_swig_OBAromaticTyper_CheckAromaticity", (DL_FUNC) &R_swig_OBAromaticTyper_CheckAromaticity, 3},
41388    {"R_swig_OBMol_AddNonPolarHydrogens", (DL_FUNC) &R_swig_OBMol_AddNonPolarHydrogens, 2},
41389    {"R_swig_OBMol_AddPolarHydrogens", (DL_FUNC) &R_swig_OBMol_AddPolarHydrogens, 2},
41390    {"R_swig_OBMol_DeleteNonPolarHydrogens", (DL_FUNC) &R_swig_OBMol_DeleteNonPolarHydrogens, 2},
41391    {"R_swig_OBMol_DeletePolarHydrogens", (DL_FUNC) &R_swig_OBMol_DeletePolarHydrogens, 2},
41392    {"R_swig_OBAtomTyper_CorrectAromaticNitrogens", (DL_FUNC) &R_swig_OBAtomTyper_CorrectAromaticNitrogens, 2},
41393    {"R_swig_Point2Line", (DL_FUNC) &R_swig_Point2Line, 4},
41394    {"R_swig_OBSquarePlanarStereo_GetCisRefs", (DL_FUNC) &R_swig_OBSquarePlanarStereo_GetCisRefs, 3},
41395    {"R_swig_OBEnergyConformerScore_GetNbEnergyCompute", (DL_FUNC) &R_swig_OBEnergyConformerScore_GetNbEnergyCompute, 2},
41396    {"R_swig_OBRotor_Precompute", (DL_FUNC) &R_swig_OBRotor_Precompute, 2},
41397    {"R_swig_OBPlugin_End", (DL_FUNC) &R_swig_OBPlugin_End, 2},
41398    {"R_swig_OBFingerprint_GetBit", (DL_FUNC) &R_swig_OBFingerprint_GetBit, 4},
41399    {"R_swig_delete_OBStereoFacade", (DL_FUNC) &R_swig_delete_OBStereoFacade, 1},
41400    {"R_swig_OBMolAtomDFSIter_BOSum", (DL_FUNC) &R_swig_OBMolAtomDFSIter_BOSum, 2},
41401    {"R_swig_OBMolAtomIter_BOSum", (DL_FUNC) &R_swig_OBMolAtomIter_BOSum, 2},
41402    {"R_swig_OBMolAtomBFSIter_BOSum", (DL_FUNC) &R_swig_OBMolAtomBFSIter_BOSum, 2},
41403    {"R_swig_OBAtomAtomIter_BOSum", (DL_FUNC) &R_swig_OBAtomAtomIter_BOSum, 2},
41404    {"R_swig_OBResidueAtomIter_BOSum", (DL_FUNC) &R_swig_OBResidueAtomIter_BOSum, 2},
41405    {"R_swig_rotor_digit_get_state", (DL_FUNC) &R_swig_rotor_digit_get_state, 2},
41406    {"R_swig_rotor_digit_set_state", (DL_FUNC) &R_swig_rotor_digit_set_state, 2},
41407    {"R_swig_delete_OBRotorRule", (DL_FUNC) &R_swig_delete_OBRotorRule, 1},
41408    {"R_swig_new_OBRotorRule", (DL_FUNC) &R_swig_new_OBRotorRule, 4},
41409    {"R_swig_delete_DoubleType", (DL_FUNC) &R_swig_delete_DoubleType, 1},
41410    {"R_swig_new_DoubleType", (DL_FUNC) &R_swig_new_DoubleType, 0},
41411    {"R_swig_OBFormat_GetMIMEType", (DL_FUNC) &R_swig_OBFormat_GetMIMEType, 1},
41412    {"R_swig_OBStereo_Permutated", (DL_FUNC) &R_swig_OBStereo_Permutated, 4},
41413    {"R_swig_OBRotorRule_IsValid", (DL_FUNC) &R_swig_OBRotorRule_IsValid, 2},
41414    {"R_swig_OBSmartsPattern_IsValid", (DL_FUNC) &R_swig_OBSmartsPattern_IsValid, 2},
41415    {"R_swig_SpaceGroup_IsValid", (DL_FUNC) &R_swig_SpaceGroup_IsValid, 2},
41416    {"R_swig_OBTetrahedralStereo_IsValid", (DL_FUNC) &R_swig_OBTetrahedralStereo_IsValid, 2},
41417    {"R_swig_OBCisTransStereo_IsValid", (DL_FUNC) &R_swig_OBCisTransStereo_IsValid, 2},
41418    {"R_swig_OBSquarePlanarStereo_IsValid", (DL_FUNC) &R_swig_OBSquarePlanarStereo_IsValid, 2},
41419    {"R_swig_OBBitVec_Fold", (DL_FUNC) &R_swig_OBBitVec_Fold, 2},
41420    {"R_swig_OBElement_GetCovalentRad", (DL_FUNC) &R_swig_OBElement_GetCovalentRad, 2},
41421    {"R_swig_OBElementTable_GetCovalentRad", (DL_FUNC) &R_swig_OBElementTable_GetCovalentRad, 3},
41422    {"R_swig_OBRotorRules_SetFilename", (DL_FUNC) &R_swig_OBRotorRules_SetFilename, 2},
41423    {"R_swig_OBConversion_GetInFilename", (DL_FUNC) &R_swig_OBConversion_GetInFilename, 2},
41424    {"R_swig_OBConversion_GetOutFilename", (DL_FUNC) &R_swig_OBConversion_GetOutFilename, 2},
41425    {"R_swig_dot", (DL_FUNC) &R_swig_dot, 3},
41426    {"R_swig_delete_OBOp", (DL_FUNC) &R_swig_delete_OBOp, 1},
41427    {"R_swig_OBAlign_SetRef", (DL_FUNC) &R_swig_OBAlign_SetRef, 2},
41428    {"R_swig_OBMolAtomDFSIter_HasImplHForced", (DL_FUNC) &R_swig_OBMolAtomDFSIter_HasImplHForced, 2},
41429    {"R_swig_OBMolAtomDFSIter_HasNoHForced", (DL_FUNC) &R_swig_OBMolAtomDFSIter_HasNoHForced, 2},
41430    {"R_swig_OBMolAtomIter_HasImplHForced", (DL_FUNC) &R_swig_OBMolAtomIter_HasImplHForced, 2},
41431    {"R_swig_OBMolAtomIter_HasNoHForced", (DL_FUNC) &R_swig_OBMolAtomIter_HasNoHForced, 2},
41432    {"R_swig_OBAtom_HasNoHForced", (DL_FUNC) &R_swig_OBAtom_HasNoHForced, 2},
41433    {"R_swig_OBAtom_HasImplHForced", (DL_FUNC) &R_swig_OBAtom_HasImplHForced, 2},
41434    {"R_swig_OBMolAtomBFSIter_HasNoHForced", (DL_FUNC) &R_swig_OBMolAtomBFSIter_HasNoHForced, 2},
41435    {"R_swig_OBMolAtomBFSIter_HasImplHForced", (DL_FUNC) &R_swig_OBMolAtomBFSIter_HasImplHForced, 2},
41436    {"R_swig_OBAtomAtomIter_HasNoHForced", (DL_FUNC) &R_swig_OBAtomAtomIter_HasNoHForced, 2},
41437    {"R_swig_OBAtomAtomIter_HasImplHForced", (DL_FUNC) &R_swig_OBAtomAtomIter_HasImplHForced, 2},
41438    {"R_swig_OBResidueAtomIter_HasNoHForced", (DL_FUNC) &R_swig_OBResidueAtomIter_HasNoHForced, 2},
41439    {"R_swig_OBResidueAtomIter_HasImplHForced", (DL_FUNC) &R_swig_OBResidueAtomIter_HasImplHForced, 2},
41440    {"R_swig_OBMolAtomDFSIter_IsAntiClockwise", (DL_FUNC) &R_swig_OBMolAtomDFSIter_IsAntiClockwise, 2},
41441    {"R_swig_OBMolAtomDFSIter_IsClockwise", (DL_FUNC) &R_swig_OBMolAtomDFSIter_IsClockwise, 2},
41442    {"R_swig_OBMolAtomIter_IsAntiClockwise", (DL_FUNC) &R_swig_OBMolAtomIter_IsAntiClockwise, 2},
41443    {"R_swig_OBMolAtomIter_IsClockwise", (DL_FUNC) &R_swig_OBMolAtomIter_IsClockwise, 2},
41444    {"R_swig_OBAtom_IsClockwise", (DL_FUNC) &R_swig_OBAtom_IsClockwise, 2},
41445    {"R_swig_OBAtom_IsAntiClockwise", (DL_FUNC) &R_swig_OBAtom_IsAntiClockwise, 2},
41446    {"R_swig_OBMolAtomBFSIter_IsClockwise", (DL_FUNC) &R_swig_OBMolAtomBFSIter_IsClockwise, 2},
41447    {"R_swig_OBMolAtomBFSIter_IsAntiClockwise", (DL_FUNC) &R_swig_OBMolAtomBFSIter_IsAntiClockwise, 2},
41448    {"R_swig_OBAtomAtomIter_IsClockwise", (DL_FUNC) &R_swig_OBAtomAtomIter_IsClockwise, 2},
41449    {"R_swig_OBAtomAtomIter_IsAntiClockwise", (DL_FUNC) &R_swig_OBAtomAtomIter_IsAntiClockwise, 2},
41450    {"R_swig_OBResidueAtomIter_IsClockwise", (DL_FUNC) &R_swig_OBResidueAtomIter_IsClockwise, 2},
41451    {"R_swig_OBResidueAtomIter_IsAntiClockwise", (DL_FUNC) &R_swig_OBResidueAtomIter_IsAntiClockwise, 2},
41452    {"R_swig_OBMolAtomDFSIter_SetId", (DL_FUNC) &R_swig_OBMolAtomDFSIter_SetId, 2},
41453    {"R_swig_OBMolAtomIter_SetId", (DL_FUNC) &R_swig_OBMolAtomIter_SetId, 2},
41454    {"R_swig_SpaceGroup_SetId", (DL_FUNC) &R_swig_SpaceGroup_SetId, 2},
41455    {"R_swig_OBBond_SetId", (DL_FUNC) &R_swig_OBBond_SetId, 2},
41456    {"R_swig_OBMolAtomBFSIter_SetId", (DL_FUNC) &R_swig_OBMolAtomBFSIter_SetId, 2},
41457    {"R_swig_OBMolBondBFSIter_SetId", (DL_FUNC) &R_swig_OBMolBondBFSIter_SetId, 2},
41458    {"R_swig_OBMolBondIter_SetId", (DL_FUNC) &R_swig_OBMolBondIter_SetId, 2},
41459    {"R_swig_OBAtomAtomIter_SetId", (DL_FUNC) &R_swig_OBAtomAtomIter_SetId, 2},
41460    {"R_swig_OBAtomBondIter_SetId", (DL_FUNC) &R_swig_OBAtomBondIter_SetId, 2},
41461    {"R_swig_OBResidueAtomIter_SetId", (DL_FUNC) &R_swig_OBResidueAtomIter_SetId, 2},
41462    {"R_swig_OBConformerData_GetForces", (DL_FUNC) &R_swig_OBConformerData_GetForces, 2},
41463    {"R_swig_OBConformerData_SetForces", (DL_FUNC) &R_swig_OBConformerData_SetForces, 2},
41464    {"R_swig_OBElectronicTransitionData_GetForces", (DL_FUNC) &R_swig_OBElectronicTransitionData_GetForces, 2},
41465    {"R_swig_OBFFConstraints_DeleteConstraint", (DL_FUNC) &R_swig_OBFFConstraints_DeleteConstraint, 2},
41466    {"R_swig_OBFFConstraints_AddTorsionConstraint", (DL_FUNC) &R_swig_OBFFConstraints_AddTorsionConstraint, 6},
41467    {"R_swig_OBFFConstraints_AddAngleConstraint", (DL_FUNC) &R_swig_OBFFConstraints_AddAngleConstraint, 5},
41468    {"R_swig_OBFFConstraints_AddDistanceConstraint", (DL_FUNC) &R_swig_OBFFConstraints_AddDistanceConstraint, 4},
41469    {"R_swig_OBFFConstraints_AddAtomZConstraint", (DL_FUNC) &R_swig_OBFFConstraints_AddAtomZConstraint, 2},
41470    {"R_swig_OBFFConstraints_AddAtomYConstraint", (DL_FUNC) &R_swig_OBFFConstraints_AddAtomYConstraint, 2},
41471    {"R_swig_OBFFConstraints_AddAtomXConstraint", (DL_FUNC) &R_swig_OBFFConstraints_AddAtomXConstraint, 2},
41472    {"R_swig_OBFFConstraints_AddAtomConstraint", (DL_FUNC) &R_swig_OBFFConstraints_AddAtomConstraint, 2},
41473    {"R_swig_delete_OBFFConstraint", (DL_FUNC) &R_swig_delete_OBFFConstraint, 1},
41474    {"R_swig_new_OBFFConstraint", (DL_FUNC) &R_swig_new_OBFFConstraint, 0},
41475    {"R_swig_toChiralData", (DL_FUNC) &R_swig_toChiralData, 1},
41476    {"R_swig_delete_OBChiralData", (DL_FUNC) &R_swig_delete_OBChiralData, 1},
41477    {"R_swig_new_OBOrbitalData", (DL_FUNC) &R_swig_new_OBOrbitalData, 0},
41478    {"R_swig_delete_OBOrbitalData", (DL_FUNC) &R_swig_delete_OBOrbitalData, 1},
41479    {"R_swig_OBMol_FindSSSR", (DL_FUNC) &R_swig_OBMol_FindSSSR, 1},
41480    {"R_swig_OBMolAtomDFSIter_SetHybAndGeom", (DL_FUNC) &R_swig_OBMolAtomDFSIter_SetHybAndGeom, 3},
41481    {"R_swig_OBMolAtomIter_SetHybAndGeom", (DL_FUNC) &R_swig_OBMolAtomIter_SetHybAndGeom, 3},
41482    {"R_swig_OBAtom_SetHybAndGeom", (DL_FUNC) &R_swig_OBAtom_SetHybAndGeom, 3},
41483    {"R_swig_OBMolAtomBFSIter_SetHybAndGeom", (DL_FUNC) &R_swig_OBMolAtomBFSIter_SetHybAndGeom, 3},
41484    {"R_swig_OBAtomAtomIter_SetHybAndGeom", (DL_FUNC) &R_swig_OBAtomAtomIter_SetHybAndGeom, 3},
41485    {"R_swig_OBResidueAtomIter_SetHybAndGeom", (DL_FUNC) &R_swig_OBResidueAtomIter_SetHybAndGeom, 3},
41486    {"R_swig_OBForceField_IsCutOffEnabled", (DL_FUNC) &R_swig_OBForceField_IsCutOffEnabled, 2},
41487    {"R_swig_OBBond_SetBondOrder", (DL_FUNC) &R_swig_OBBond_SetBondOrder, 2},
41488    {"R_swig_OBBond_GetBondOrder", (DL_FUNC) &R_swig_OBBond_GetBondOrder, 2},
41489    {"R_swig_OBForceField_SystematicRotorSearchNextConformer__SWIG_1", (DL_FUNC) &R_swig_OBForceField_SystematicRotorSearchNextConformer__SWIG_1, 2},
41490    {"R_swig_OBForceField_SystematicRotorSearchNextConformer__SWIG_0", (DL_FUNC) &R_swig_OBForceField_SystematicRotorSearchNextConformer__SWIG_0, 3},
41491    {"R_swig_OBRandom_NextFloat", (DL_FUNC) &R_swig_OBRandom_NextFloat, 2},
41492    {"R_swig_OBMolBondBFSIter_SetBondOrder", (DL_FUNC) &R_swig_OBMolBondBFSIter_SetBondOrder, 2},
41493    {"R_swig_OBMolBondBFSIter_GetBondOrder", (DL_FUNC) &R_swig_OBMolBondBFSIter_GetBondOrder, 2},
41494    {"R_swig_OBMolBondIter_SetBondOrder", (DL_FUNC) &R_swig_OBMolBondIter_SetBondOrder, 2},
41495    {"R_swig_OBMolBondIter_GetBondOrder", (DL_FUNC) &R_swig_OBMolBondIter_GetBondOrder, 2},
41496    {"R_swig_OBAtomBondIter_SetBondOrder", (DL_FUNC) &R_swig_OBAtomBondIter_SetBondOrder, 2},
41497    {"R_swig_OBAtomBondIter_GetBondOrder", (DL_FUNC) &R_swig_OBAtomBondIter_GetBondOrder, 2},
41498    {"R_swig_OBCisTransStereo_GetTransRef", (DL_FUNC) &R_swig_OBCisTransStereo_GetTransRef, 3},
41499    {"R_swig_OBSquarePlanarStereo_GetTransRef", (DL_FUNC) &R_swig_OBSquarePlanarStereo_GetTransRef, 3},
41500    {"R_swig_delete_OBGraphSym", (DL_FUNC) &R_swig_delete_OBGraphSym, 1},
41501    {"R_swig_OBMol_GetFirstAtom", (DL_FUNC) &R_swig_OBMol_GetFirstAtom, 1},
41502    {"R_swig_OBMessageHandler_GetErrorMessageCount", (DL_FUNC) &R_swig_OBMessageHandler_GetErrorMessageCount, 2},
41503    {"R_swig_OBMessageHandler_GetWarningMessageCount", (DL_FUNC) &R_swig_OBMessageHandler_GetWarningMessageCount, 2},
41504    {"R_swig_OBMessageHandler_GetInfoMessageCount", (DL_FUNC) &R_swig_OBMessageHandler_GetInfoMessageCount, 2},
41505    {"R_swig_OBMessageHandler_GetAuditMessageCount", (DL_FUNC) &R_swig_OBMessageHandler_GetAuditMessageCount, 2},
41506    {"R_swig_OBMessageHandler_GetDebugMessageCount", (DL_FUNC) &R_swig_OBMessageHandler_GetDebugMessageCount, 2},
41507    {"R_swig_OBFFConstraints_GetConstraintAtomA", (DL_FUNC) &R_swig_OBFFConstraints_GetConstraintAtomA, 3},
41508    {"R_swig_OBFFCalculation3_force_c_get", (DL_FUNC) &R_swig_OBFFCalculation3_force_c_get, 2},
41509    {"R_swig_OBFFCalculation3_pos_c_get", (DL_FUNC) &R_swig_OBFFCalculation3_pos_c_get, 1},
41510    {"R_swig_OBFFCalculation3_c_get", (DL_FUNC) &R_swig_OBFFCalculation3_c_get, 1},
41511    {"R_swig_OBFFParameter__c_get", (DL_FUNC) &R_swig_OBFFParameter__c_get, 2},
41512    {"R_swig_OBInternalCoord__c_get", (DL_FUNC) &R_swig_OBInternalCoord__c_get, 1},
41513    {"R_swig_OBFFConstraints_GetConstraintAtomB", (DL_FUNC) &R_swig_OBFFConstraints_GetConstraintAtomB, 3},
41514    {"R_swig_OBFFConstraints_GetConstraintAtomC", (DL_FUNC) &R_swig_OBFFConstraints_GetConstraintAtomC, 3},
41515    {"R_swig_OBFFConstraints_GetConstraintAtomD", (DL_FUNC) &R_swig_OBFFConstraints_GetConstraintAtomD, 3},
41516    {"R_swig_OBPlugin_GetMap", (DL_FUNC) &R_swig_OBPlugin_GetMap, 2},
41517    {"R_swig_get_rmat", (DL_FUNC) &R_swig_get_rmat, 4},
41518    {"R_swig_OBMolAtomDFSIter_IsAxial", (DL_FUNC) &R_swig_OBMolAtomDFSIter_IsAxial, 2},
41519    {"R_swig_OBMolAtomIter_IsAxial", (DL_FUNC) &R_swig_OBMolAtomIter_IsAxial, 2},
41520    {"R_swig_OBAtom_IsAxial", (DL_FUNC) &R_swig_OBAtom_IsAxial, 2},
41521    {"R_swig_OBMolAtomBFSIter_IsAxial", (DL_FUNC) &R_swig_OBMolAtomBFSIter_IsAxial, 2},
41522    {"R_swig_OBAtomAtomIter_IsAxial", (DL_FUNC) &R_swig_OBAtomAtomIter_IsAxial, 2},
41523    {"R_swig_OBResidueAtomIter_IsAxial", (DL_FUNC) &R_swig_OBResidueAtomIter_IsAxial, 2},
41524    {"R_swig_new_OBQuery", (DL_FUNC) &R_swig_new_OBQuery, 0},
41525    {"R_swig_delete_OBQuery", (DL_FUNC) &R_swig_delete_OBQuery, 1},
41526    {"R_swig_OBForceField_GetGrid", (DL_FUNC) &R_swig_OBForceField_GetGrid, 5},
41527    {"R_swig_delete_OBError", (DL_FUNC) &R_swig_delete_OBError, 1},
41528    {"R_swig_delete_OBVirtualBond", (DL_FUNC) &R_swig_delete_OBVirtualBond, 1},
41529    {"R_swig_toVirtualBond", (DL_FUNC) &R_swig_toVirtualBond, 1},
41530    {"R_swig_OBInternalCoord__ang_set", (DL_FUNC) &R_swig_OBInternalCoord__ang_set, 2},
41531    {"R_swig_OBTetrahedralConfig_winding_set", (DL_FUNC) &R_swig_OBTetrahedralConfig_winding_set, 2},
41532    {"R_swig_OBMol_GetBondById", (DL_FUNC) &R_swig_OBMol_GetBondById, 2},
41533    {"R_swig_delete_matrix3x3", (DL_FUNC) &R_swig_delete_matrix3x3, 1},
41534    {"R_swig_delete_OBMinimizingRMSDConformerScore", (DL_FUNC) &R_swig_delete_OBMinimizingRMSDConformerScore, 1},
41535    {"R_swig_new_OBMinimizingRMSDConformerScore", (DL_FUNC) &R_swig_new_OBMinimizingRMSDConformerScore, 0},
41536    {"R_swig_delete_OBMinimizingEnergyConformerScore", (DL_FUNC) &R_swig_delete_OBMinimizingEnergyConformerScore, 1},
41537    {"R_swig_new_OBMinimizingEnergyConformerScore", (DL_FUNC) &R_swig_new_OBMinimizingEnergyConformerScore, 0},
41538    {"R_swig_delete_OBEnergyConformerScore", (DL_FUNC) &R_swig_delete_OBEnergyConformerScore, 1},
41539    {"R_swig_new_OBEnergyConformerScore", (DL_FUNC) &R_swig_new_OBEnergyConformerScore, 0},
41540    {"R_swig_delete_OBRMSDConformerScore", (DL_FUNC) &R_swig_delete_OBRMSDConformerScore, 1},
41541    {"R_swig_new_OBRMSDConformerScore", (DL_FUNC) &R_swig_new_OBRMSDConformerScore, 0},
41542    {"R_swig_delete_OBConformerScore", (DL_FUNC) &R_swig_delete_OBConformerScore, 1},
41543    {"R_swig_OBRing__pathset_get", (DL_FUNC) &R_swig_OBRing__pathset_get, 2},
41544    {"R_swig_OBMolRingIter__pathset_get", (DL_FUNC) &R_swig_OBMolRingIter__pathset_get, 2},
41545    {"R_swig_OBBitVec_GetWords", (DL_FUNC) &R_swig_OBBitVec_GetWords, 2},
41546    {"R_swig_OBReaction_AddReactant", (DL_FUNC) &R_swig_OBReaction_AddReactant, 2},
41547    {"R_swig_OBReaction_GetReactant", (DL_FUNC) &R_swig_OBReaction_GetReactant, 3},
41548    {"R_swig_OBResidue_SetAtomID", (DL_FUNC) &R_swig_OBResidue_SetAtomID, 3},
41549    {"R_swig_OBResidue_GetAtomID", (DL_FUNC) &R_swig_OBResidue_GetAtomID, 3},
41550    {"R_swig_OBResidueIter_SetAtomID", (DL_FUNC) &R_swig_OBResidueIter_SetAtomID, 3},
41551    {"R_swig_OBResidueIter_GetAtomID", (DL_FUNC) &R_swig_OBResidueIter_GetAtomID, 3},
41552    {"R_swig_OBAtom_GetId", (DL_FUNC) &R_swig_OBAtom_GetId, 2},
41553    {"R_swig_OBConformerSearch_SetScore", (DL_FUNC) &R_swig_OBConformerSearch_SetScore, 2},
41554    {"R_swig_OBFingerprint_SetBit", (DL_FUNC) &R_swig_OBFingerprint_SetBit, 3},
41555    {"R_swig_OBMolAtomDFSIter_KBOSum", (DL_FUNC) &R_swig_OBMolAtomDFSIter_KBOSum, 2},
41556    {"R_swig_OBMolAtomIter_KBOSum", (DL_FUNC) &R_swig_OBMolAtomIter_KBOSum, 2},
41557    {"R_swig_OBAtom_KBOSum", (DL_FUNC) &R_swig_OBAtom_KBOSum, 2},
41558    {"R_swig_OBFFConstraint_gradc_set", (DL_FUNC) &R_swig_OBFFConstraint_gradc_set, 2},
41559    {"R_swig_OBMolAtomBFSIter_KBOSum", (DL_FUNC) &R_swig_OBMolAtomBFSIter_KBOSum, 2},
41560    {"R_swig_OBAtomAtomIter_KBOSum", (DL_FUNC) &R_swig_OBAtomAtomIter_KBOSum, 2},
41561    {"R_swig_OBResidueAtomIter_KBOSum", (DL_FUNC) &R_swig_OBResidueAtomIter_KBOSum, 2},
41562    {"R_swig_OBBond_SetDown", (DL_FUNC) &R_swig_OBBond_SetDown, 1},
41563    {"R_swig_OBBond_UnsetDown", (DL_FUNC) &R_swig_OBBond_UnsetDown, 1},
41564    {"R_swig_OBMolBondBFSIter_SetDown", (DL_FUNC) &R_swig_OBMolBondBFSIter_SetDown, 1},
41565    {"R_swig_OBMolBondBFSIter_UnsetDown", (DL_FUNC) &R_swig_OBMolBondBFSIter_UnsetDown, 1},
41566    {"R_swig_OBMolBondIter_SetDown", (DL_FUNC) &R_swig_OBMolBondIter_SetDown, 1},
41567    {"R_swig_OBMolBondIter_UnsetDown", (DL_FUNC) &R_swig_OBMolBondIter_UnsetDown, 1},
41568    {"R_swig_OBAtomBondIter_SetDown", (DL_FUNC) &R_swig_OBAtomBondIter_SetDown, 1},
41569    {"R_swig_OBAtomBondIter_UnsetDown", (DL_FUNC) &R_swig_OBAtomBondIter_UnsetDown, 1},
41570    {"R_swig_new_OBReaction", (DL_FUNC) &R_swig_new_OBReaction, 0},
41571    {"R_swig_delete_OBReaction", (DL_FUNC) &R_swig_delete_OBReaction, 1},
41572    {"R_swig_OBMol_PerceiveBondOrders", (DL_FUNC) &R_swig_OBMol_PerceiveBondOrders, 1},
41573    {"R_swig_OBMolAtomIter_DataSize", (DL_FUNC) &R_swig_OBMolAtomIter_DataSize, 2},
41574    {"R_swig_OBBase_DataSize", (DL_FUNC) &R_swig_OBBase_DataSize, 2},
41575    {"R_swig_OBMolAtomDFSIter_DataSize", (DL_FUNC) &R_swig_OBMolAtomDFSIter_DataSize, 2},
41576    {"R_swig_OBMolAtomBFSIter_DataSize", (DL_FUNC) &R_swig_OBMolAtomBFSIter_DataSize, 2},
41577    {"R_swig_OBMolBondBFSIter_DataSize", (DL_FUNC) &R_swig_OBMolBondBFSIter_DataSize, 2},
41578    {"R_swig_OBMolBondIter_DataSize", (DL_FUNC) &R_swig_OBMolBondIter_DataSize, 2},
41579    {"R_swig_OBAtomAtomIter_DataSize", (DL_FUNC) &R_swig_OBAtomAtomIter_DataSize, 2},
41580    {"R_swig_OBAtomBondIter_DataSize", (DL_FUNC) &R_swig_OBAtomBondIter_DataSize, 2},
41581    {"R_swig_OBResidueIter_DataSize", (DL_FUNC) &R_swig_OBResidueIter_DataSize, 2},
41582    {"R_swig_OBResidueAtomIter_DataSize", (DL_FUNC) &R_swig_OBResidueAtomIter_DataSize, 2},
41583    {"R_swig_OBEnergyConformerScore_GetNbEnergyRequest", (DL_FUNC) &R_swig_OBEnergyConformerScore_GetNbEnergyRequest, 2},
41584    {"R_swig_ResNo_set", (DL_FUNC) &R_swig_ResNo_set, 1},
41585    {"R_swig_ElemNo_set", (DL_FUNC) &R_swig_ElemNo_set, 1},
41586    {"R_swig_OBMolAtomDFSIter_Visit_get", (DL_FUNC) &R_swig_OBMolAtomDFSIter_Visit_get, 2},
41587    {"R_swig_OBMolAtomIter_Visit_get", (DL_FUNC) &R_swig_OBMolAtomIter_Visit_get, 2},
41588    {"R_swig_OBAtom_Visit_get", (DL_FUNC) &R_swig_OBAtom_Visit_get, 2},
41589    {"R_swig_OBBond_Visit_get", (DL_FUNC) &R_swig_OBBond_Visit_get, 2},
41590    {"R_swig_OBMolAtomBFSIter_Visit_get", (DL_FUNC) &R_swig_OBMolAtomBFSIter_Visit_get, 2},
41591    {"R_swig_OBMolBondBFSIter_Visit_get", (DL_FUNC) &R_swig_OBMolBondBFSIter_Visit_get, 2},
41592    {"R_swig_OBMolBondIter_Visit_get", (DL_FUNC) &R_swig_OBMolBondIter_Visit_get, 2},
41593    {"R_swig_OBAtomAtomIter_Visit_get", (DL_FUNC) &R_swig_OBAtomAtomIter_Visit_get, 2},
41594    {"R_swig_OBAtomBondIter_Visit_get", (DL_FUNC) &R_swig_OBAtomBondIter_Visit_get, 2},
41595    {"R_swig_OBResidueAtomIter_Visit_get", (DL_FUNC) &R_swig_OBResidueAtomIter_Visit_get, 2},
41596    {"R_swig_OBFFCalculation2_force_a_set", (DL_FUNC) &R_swig_OBFFCalculation2_force_a_set, 2},
41597    {"R_swig_OBFFCalculation2_pos_a_set", (DL_FUNC) &R_swig_OBFFCalculation2_pos_a_set, 2},
41598    {"R_swig_OBFFParameter__a_set", (DL_FUNC) &R_swig_OBFFParameter__a_set, 2},
41599    {"R_swig_OBInternalCoord__a_set", (DL_FUNC) &R_swig_OBInternalCoord__a_set, 2},
41600    {"R_swig_FptIndexHeader_datafilename_set", (DL_FUNC) &R_swig_FptIndexHeader_datafilename_set, 2},
41601    {"R_swig_OBReaction_GetAgent", (DL_FUNC) &R_swig_OBReaction_GetAgent, 2},
41602    {"R_swig_SmartsLexReplace", (DL_FUNC) &R_swig_SmartsLexReplace, 2},
41603    {"R_swig_OBAlign_Align", (DL_FUNC) &R_swig_OBAlign_Align, 2},
41604    {"R_swig_OBMol_Align", (DL_FUNC) &R_swig_OBMol_Align, 5},
41605    {"R_swig_delete_OBFreeGridPoint", (DL_FUNC) &R_swig_delete_OBFreeGridPoint, 1},
41606    {"R_swig_new_OBDOSData", (DL_FUNC) &R_swig_new_OBDOSData, 0},
41607    {"R_swig_delete_OBDOSData", (DL_FUNC) &R_swig_delete_OBDOSData, 1},
41608    {"R_swig_OBGridData_GetUnrestricted", (DL_FUNC) &R_swig_OBGridData_GetUnrestricted, 2},
41609    {"R_swig_OBGridData_SetUnrestricted", (DL_FUNC) &R_swig_OBGridData_SetUnrestricted, 2},
41610    {"R_swig_OBFingerprint_Getbitsperint", (DL_FUNC) &R_swig_OBFingerprint_Getbitsperint, 1},
41611    {"R_swig_delete_vectorOBMol", (DL_FUNC) &R_swig_delete_vectorOBMol, 1},
41612    {"R_swig_OBFreeGridPoint_GetV", (DL_FUNC) &R_swig_OBFreeGridPoint_GetV, 2},
41613    {"R_swig_OBMolAtomDFSIter_IsOneFour", (DL_FUNC) &R_swig_OBMolAtomDFSIter_IsOneFour, 3},
41614    {"R_swig_OBMolAtomIter_IsOneFour", (DL_FUNC) &R_swig_OBMolAtomIter_IsOneFour, 3},
41615    {"R_swig_OBAtom_IsOneFour", (DL_FUNC) &R_swig_OBAtom_IsOneFour, 3},
41616    {"R_swig_OBMolAtomBFSIter_IsOneFour", (DL_FUNC) &R_swig_OBMolAtomBFSIter_IsOneFour, 3},
41617    {"R_swig_OBAtomAtomIter_IsOneFour", (DL_FUNC) &R_swig_OBAtomAtomIter_IsOneFour, 3},
41618    {"R_swig_OBResidueAtomIter_IsOneFour", (DL_FUNC) &R_swig_OBResidueAtomIter_IsOneFour, 3},
41619    {"R_swig_OBFreeGridPoint_GetX", (DL_FUNC) &R_swig_OBFreeGridPoint_GetX, 2},
41620    {"R_swig_OBFreeGridPoint_GetY", (DL_FUNC) &R_swig_OBFreeGridPoint_GetY, 2},
41621    {"R_swig_matrix3x3_GetRow", (DL_FUNC) &R_swig_matrix3x3_GetRow, 3},
41622    {"R_swig_OBFreeGridPoint_GetZ", (DL_FUNC) &R_swig_OBFreeGridPoint_GetZ, 2},
41623    {"R_swig_OBFFConstraint_ic_get", (DL_FUNC) &R_swig_OBFFConstraint_ic_get, 2},
41624    {"R_swig_OBFFConstraint_type_get", (DL_FUNC) &R_swig_OBFFConstraint_type_get, 2},
41625    {"R_swig_OBStereoUnit_type_get", (DL_FUNC) &R_swig_OBStereoUnit_type_get, 2},
41626    {"R_swig_AliasDataType_get", (DL_FUNC) &R_swig_AliasDataType_get, 1},
41627    {"R_swig_OBCisTransConfig_shape_get", (DL_FUNC) &R_swig_OBCisTransConfig_shape_get, 2},
41628    {"R_swig_OBSquarePlanarConfig_shape_get", (DL_FUNC) &R_swig_OBSquarePlanarConfig_shape_get, 2},
41629    {"R_swig_chainsparser_set", (DL_FUNC) &R_swig_chainsparser_set, 1},
41630    {"R_swig_vvpairUIntUInt_pop", (DL_FUNC) &R_swig_vvpairUIntUInt_pop, 2},
41631    {"R_swig_OBOrbitalData_SetAlphaOrbitals", (DL_FUNC) &R_swig_OBOrbitalData_SetAlphaOrbitals, 2},
41632    {"R_swig_OBOrbitalData_SetBetaOrbitals", (DL_FUNC) &R_swig_OBOrbitalData_SetBetaOrbitals, 2},
41633    {"R_swig_OBOrbitalData_GetAlphaOrbitals", (DL_FUNC) &R_swig_OBOrbitalData_GetAlphaOrbitals, 2},
41634    {"R_swig_OBOrbitalData_GetBetaOrbitals", (DL_FUNC) &R_swig_OBOrbitalData_GetBetaOrbitals, 2},
41635    {"R_swig_OBOrbitalData_LoadClosedShellOrbitals", (DL_FUNC) &R_swig_OBOrbitalData_LoadClosedShellOrbitals, 4},
41636    {"R_swig_OBOrbitalData_LoadAlphaOrbitals", (DL_FUNC) &R_swig_OBOrbitalData_LoadAlphaOrbitals, 4},
41637    {"R_swig_OBOrbitalData_LoadBetaOrbitals", (DL_FUNC) &R_swig_OBOrbitalData_LoadBetaOrbitals, 4},
41638    {"R_swig_OBForceField_ClearGroups", (DL_FUNC) &R_swig_OBForceField_ClearGroups, 1},
41639    {"R_swig_OBForceField_AddInterGroups", (DL_FUNC) &R_swig_OBForceField_AddInterGroups, 3},
41640    {"R_swig_OBBond_UnsetUp", (DL_FUNC) &R_swig_OBBond_UnsetUp, 1},
41641    {"R_swig_OBFFConstraint_grada_get", (DL_FUNC) &R_swig_OBFFConstraint_grada_get, 2},
41642    {"R_swig_OBMolBondBFSIter_UnsetUp", (DL_FUNC) &R_swig_OBMolBondBFSIter_UnsetUp, 1},
41643    {"R_swig_OBMolBondIter_UnsetUp", (DL_FUNC) &R_swig_OBMolBondIter_UnsetUp, 1},
41644    {"R_swig_OBAtomBondIter_UnsetUp", (DL_FUNC) &R_swig_OBAtomBondIter_UnsetUp, 1},
41645    {"R_swig_OBMolAtomDFSIter_HasResidue", (DL_FUNC) &R_swig_OBMolAtomDFSIter_HasResidue, 2},
41646    {"R_swig_OBMolAtomDFSIter_DeleteResidue", (DL_FUNC) &R_swig_OBMolAtomDFSIter_DeleteResidue, 1},
41647    {"R_swig_OBMolAtomDFSIter_AddResidue", (DL_FUNC) &R_swig_OBMolAtomDFSIter_AddResidue, 2},
41648    {"R_swig_OBMolAtomDFSIter_NewResidue", (DL_FUNC) &R_swig_OBMolAtomDFSIter_NewResidue, 1},
41649    {"R_swig_OBMolAtomDFSIter_SetResidue", (DL_FUNC) &R_swig_OBMolAtomDFSIter_SetResidue, 2},
41650    {"R_swig_OBMolAtomIter_HasResidue", (DL_FUNC) &R_swig_OBMolAtomIter_HasResidue, 2},
41651    {"R_swig_OBMolAtomIter_DeleteResidue", (DL_FUNC) &R_swig_OBMolAtomIter_DeleteResidue, 1},
41652    {"R_swig_OBMolAtomIter_AddResidue", (DL_FUNC) &R_swig_OBMolAtomIter_AddResidue, 2},
41653    {"R_swig_OBMolAtomIter_NewResidue", (DL_FUNC) &R_swig_OBMolAtomIter_NewResidue, 1},
41654    {"R_swig_OBMolAtomIter_SetResidue", (DL_FUNC) &R_swig_OBMolAtomIter_SetResidue, 2},
41655    {"R_swig_OBMol_GetResidue", (DL_FUNC) &R_swig_OBMol_GetResidue, 2},
41656    {"R_swig_delete_vectorOBResidue", (DL_FUNC) &R_swig_delete_vectorOBResidue, 1},
41657    {"R_swig_delete_OBResidue", (DL_FUNC) &R_swig_delete_OBResidue, 1},
41658    {"R_swig_OBAtom_SetResidue", (DL_FUNC) &R_swig_OBAtom_SetResidue, 2},
41659    {"R_swig_OBAtom_NewResidue", (DL_FUNC) &R_swig_OBAtom_NewResidue, 1},
41660    {"R_swig_OBAtom_AddResidue", (DL_FUNC) &R_swig_OBAtom_AddResidue, 2},
41661    {"R_swig_OBAtom_DeleteResidue", (DL_FUNC) &R_swig_OBAtom_DeleteResidue, 1},
41662    {"R_swig_OBAtom_HasResidue", (DL_FUNC) &R_swig_OBAtom_HasResidue, 2},
41663    {"R_swig_OBMol_CreateResidue", (DL_FUNC) &R_swig_OBMol_CreateResidue, 1},
41664    {"R_swig_OBMol_DestroyResidue", (DL_FUNC) &R_swig_OBMol_DestroyResidue, 2},
41665    {"R_swig_OBMol_AddResidue", (DL_FUNC) &R_swig_OBMol_AddResidue, 3},
41666    {"R_swig_OBMol_NewResidue", (DL_FUNC) &R_swig_OBMol_NewResidue, 1},
41667    {"R_swig_OBFFConstraint_rab0_set", (DL_FUNC) &R_swig_OBFFConstraint_rab0_set, 2},
41668    {"R_swig_OBMolAtomBFSIter_SetResidue", (DL_FUNC) &R_swig_OBMolAtomBFSIter_SetResidue, 2},
41669    {"R_swig_OBMolAtomBFSIter_NewResidue", (DL_FUNC) &R_swig_OBMolAtomBFSIter_NewResidue, 1},
41670    {"R_swig_OBMolAtomBFSIter_AddResidue", (DL_FUNC) &R_swig_OBMolAtomBFSIter_AddResidue, 2},
41671    {"R_swig_OBMolAtomBFSIter_DeleteResidue", (DL_FUNC) &R_swig_OBMolAtomBFSIter_DeleteResidue, 1},
41672    {"R_swig_OBMolAtomBFSIter_HasResidue", (DL_FUNC) &R_swig_OBMolAtomBFSIter_HasResidue, 2},
41673    {"R_swig_OBAtomAtomIter_SetResidue", (DL_FUNC) &R_swig_OBAtomAtomIter_SetResidue, 2},
41674    {"R_swig_OBAtomAtomIter_NewResidue", (DL_FUNC) &R_swig_OBAtomAtomIter_NewResidue, 1},
41675    {"R_swig_OBAtomAtomIter_AddResidue", (DL_FUNC) &R_swig_OBAtomAtomIter_AddResidue, 2},
41676    {"R_swig_OBAtomAtomIter_DeleteResidue", (DL_FUNC) &R_swig_OBAtomAtomIter_DeleteResidue, 1},
41677    {"R_swig_OBAtomAtomIter_HasResidue", (DL_FUNC) &R_swig_OBAtomAtomIter_HasResidue, 2},
41678    {"R_swig_OBResidueAtomIter_SetResidue", (DL_FUNC) &R_swig_OBResidueAtomIter_SetResidue, 2},
41679    {"R_swig_OBResidueAtomIter_NewResidue", (DL_FUNC) &R_swig_OBResidueAtomIter_NewResidue, 1},
41680    {"R_swig_OBResidueAtomIter_AddResidue", (DL_FUNC) &R_swig_OBResidueAtomIter_AddResidue, 2},
41681    {"R_swig_OBResidueAtomIter_DeleteResidue", (DL_FUNC) &R_swig_OBResidueAtomIter_DeleteResidue, 1},
41682    {"R_swig_OBResidueAtomIter_HasResidue", (DL_FUNC) &R_swig_OBResidueAtomIter_HasResidue, 2},
41683    {"R_swig_OBRotor_Precalc", (DL_FUNC) &R_swig_OBRotor_Precalc, 2},
41684    {"R_swig_OBQuery_NumBonds", (DL_FUNC) &R_swig_OBQuery_NumBonds, 2},
41685    {"R_swig_OBSmartsPattern_NumBonds", (DL_FUNC) &R_swig_OBSmartsPattern_NumBonds, 2},
41686    {"R_swig_OBMol_NumBonds", (DL_FUNC) &R_swig_OBMol_NumBonds, 2},
41687    {"R_swig_InternalToCartesian", (DL_FUNC) &R_swig_InternalToCartesian, 2},
41688    {"R_swig_OBMolAtomDFSIter_Duplicate", (DL_FUNC) &R_swig_OBMolAtomDFSIter_Duplicate, 2},
41689    {"R_swig_OBMolAtomIter_Duplicate", (DL_FUNC) &R_swig_OBMolAtomIter_Duplicate, 2},
41690    {"R_swig_OBAtom_Duplicate", (DL_FUNC) &R_swig_OBAtom_Duplicate, 2},
41691    {"R_swig_OBMolAtomBFSIter_Duplicate", (DL_FUNC) &R_swig_OBMolAtomBFSIter_Duplicate, 2},
41692    {"R_swig_OBAtomAtomIter_Duplicate", (DL_FUNC) &R_swig_OBAtomAtomIter_Duplicate, 2},
41693    {"R_swig_OBResidueAtomIter_Duplicate", (DL_FUNC) &R_swig_OBResidueAtomIter_Duplicate, 2},
41694    {"R_swig_OBBond_IsCisOrTrans", (DL_FUNC) &R_swig_OBBond_IsCisOrTrans, 2},
41695    {"R_swig_OBMolBondBFSIter_IsCisOrTrans", (DL_FUNC) &R_swig_OBMolBondBFSIter_IsCisOrTrans, 2},
41696    {"R_swig_OBMolBondIter_IsCisOrTrans", (DL_FUNC) &R_swig_OBMolBondIter_IsCisOrTrans, 2},
41697    {"R_swig_OBAtomBondIter_IsCisOrTrans", (DL_FUNC) &R_swig_OBAtomBondIter_IsCisOrTrans, 2},
41698    {"R_swig_OBConformerSearch_SetSigmaSharing", (DL_FUNC) &R_swig_OBConformerSearch_SetSigmaSharing, 2},
41699    {"R_swig_OBConformerSearch_GetSigmaSharing", (DL_FUNC) &R_swig_OBConformerSearch_GetSigmaSharing, 2},
41700    {"R_swig_OBConformerSearch_SetAlphaSharing", (DL_FUNC) &R_swig_OBConformerSearch_SetAlphaSharing, 2},
41701    {"R_swig_OBConformerSearch_GetAlphaSharing", (DL_FUNC) &R_swig_OBConformerSearch_GetAlphaSharing, 2},
41702    {"R_swig_OBAtomicHeatOfFormationTable_GetHeatOfFormation", (DL_FUNC) &R_swig_OBAtomicHeatOfFormationTable_GetHeatOfFormation, 7},
41703    {"R_swig_OBVibrationData_GetLx", (DL_FUNC) &R_swig_OBVibrationData_GetLx, 2},
41704    {"R_swig_OBMolAtomIter_HasDoubleBond", (DL_FUNC) &R_swig_OBMolAtomIter_HasDoubleBond, 2},
41705    {"R_swig_OBAtom_HasDoubleBond", (DL_FUNC) &R_swig_OBAtom_HasDoubleBond, 2},
41706    {"R_swig_OBMolAtomDFSIter_HasDoubleBond", (DL_FUNC) &R_swig_OBMolAtomDFSIter_HasDoubleBond, 2},
41707    {"R_swig_OBMolAtomBFSIter_HasDoubleBond", (DL_FUNC) &R_swig_OBMolAtomBFSIter_HasDoubleBond, 2},
41708    {"R_swig_OBAtomAtomIter_HasDoubleBond", (DL_FUNC) &R_swig_OBAtomAtomIter_HasDoubleBond, 2},
41709    {"R_swig_OBResidueAtomIter_HasDoubleBond", (DL_FUNC) &R_swig_OBResidueAtomIter_HasDoubleBond, 2},
41710    {"R_swig_rotate_coords", (DL_FUNC) &R_swig_rotate_coords, 3},
41711    {"R_swig_OBMolAtomBFSIter_CurrentDepth", (DL_FUNC) &R_swig_OBMolAtomBFSIter_CurrentDepth, 2},
41712    {"R_swig_OBMolBondBFSIter_CurrentDepth", (DL_FUNC) &R_swig_OBMolBondBFSIter_CurrentDepth, 2},
41713    {"R_swig_OBBuilder_CorrectStereoBonds", (DL_FUNC) &R_swig_OBBuilder_CorrectStereoBonds, 1},
41714    {"R_swig_vvpairUIntUInt_capacity", (DL_FUNC) &R_swig_vvpairUIntUInt_capacity, 2},
41715    {"R_swig_new_OBAromaticTyper", (DL_FUNC) &R_swig_new_OBAromaticTyper, 0},
41716    {"R_swig_delete_OBAromaticTyper", (DL_FUNC) &R_swig_delete_OBAromaticTyper, 1},
41717    {"R_swig_OBMessageHandler_StartLogging", (DL_FUNC) &R_swig_OBMessageHandler_StartLogging, 1},
41718    {"R_swig_OBMessageHandler_StopLogging", (DL_FUNC) &R_swig_OBMessageHandler_StopLogging, 1},
41719    {"R_swig_delete_vectorString", (DL_FUNC) &R_swig_delete_vectorString, 1},
41720    {"R_swig_OBConversion_ReadString", (DL_FUNC) &R_swig_OBConversion_ReadString, 4},
41721    {"R_swig_OBMolAtomDFSIter_GetSpinMultiplicity", (DL_FUNC) &R_swig_OBMolAtomDFSIter_GetSpinMultiplicity, 2},
41722    {"R_swig_OBMolAtomDFSIter_SetSpinMultiplicity", (DL_FUNC) &R_swig_OBMolAtomDFSIter_SetSpinMultiplicity, 2},
41723    {"R_swig_OBMolAtomIter_GetSpinMultiplicity", (DL_FUNC) &R_swig_OBMolAtomIter_GetSpinMultiplicity, 2},
41724    {"R_swig_OBMolAtomIter_SetSpinMultiplicity", (DL_FUNC) &R_swig_OBMolAtomIter_SetSpinMultiplicity, 2},
41725    {"R_swig_OBMol_SetTotalSpinMultiplicity", (DL_FUNC) &R_swig_OBMol_SetTotalSpinMultiplicity, 2},
41726    {"R_swig_OBMol_GetTotalSpinMultiplicity", (DL_FUNC) &R_swig_OBMol_GetTotalSpinMultiplicity, 2},
41727    {"R_swig_OBAtomHOF_Multiplicity", (DL_FUNC) &R_swig_OBAtomHOF_Multiplicity, 2},
41728    {"R_swig_OBAtom_SetSpinMultiplicity", (DL_FUNC) &R_swig_OBAtom_SetSpinMultiplicity, 2},
41729    {"R_swig_OBAtom_GetSpinMultiplicity", (DL_FUNC) &R_swig_OBAtom_GetSpinMultiplicity, 2},
41730    {"R_swig_OBMolAtomBFSIter_SetSpinMultiplicity", (DL_FUNC) &R_swig_OBMolAtomBFSIter_SetSpinMultiplicity, 2},
41731    {"R_swig_OBMolAtomBFSIter_GetSpinMultiplicity", (DL_FUNC) &R_swig_OBMolAtomBFSIter_GetSpinMultiplicity, 2},
41732    {"R_swig_OBAtomAtomIter_SetSpinMultiplicity", (DL_FUNC) &R_swig_OBAtomAtomIter_SetSpinMultiplicity, 2},
41733    {"R_swig_OBAtomAtomIter_GetSpinMultiplicity", (DL_FUNC) &R_swig_OBAtomAtomIter_GetSpinMultiplicity, 2},
41734    {"R_swig_OBResidueAtomIter_SetSpinMultiplicity", (DL_FUNC) &R_swig_OBResidueAtomIter_SetSpinMultiplicity, 2},
41735    {"R_swig_OBResidueAtomIter_GetSpinMultiplicity", (DL_FUNC) &R_swig_OBResidueAtomIter_GetSpinMultiplicity, 2},
41736    {"R_swig_AliasData_Expand", (DL_FUNC) &R_swig_AliasData_Expand, 4},
41737    {"R_swig_matrix3x3_jacobi", (DL_FUNC) &R_swig_matrix3x3_jacobi, 4},
41738    {"R_swig_OBTorsion_GetBC", (DL_FUNC) &R_swig_OBTorsion_GetBC, 2},
41739    {"R_swig_OBAlign_GetAlignment", (DL_FUNC) &R_swig_OBAlign_GetAlignment, 2},
41740    {"R_swig_OBMolAtomDFSIter_IsCarbon", (DL_FUNC) &R_swig_OBMolAtomDFSIter_IsCarbon, 2},
41741    {"R_swig_OBMolAtomIter_IsCarbon", (DL_FUNC) &R_swig_OBMolAtomIter_IsCarbon, 2},
41742    {"R_swig_OBAtom_IsCarbon", (DL_FUNC) &R_swig_OBAtom_IsCarbon, 2},
41743    {"R_swig_OBMolAtomBFSIter_IsCarbon", (DL_FUNC) &R_swig_OBMolAtomBFSIter_IsCarbon, 2},
41744    {"R_swig_OBAtomAtomIter_IsCarbon", (DL_FUNC) &R_swig_OBAtomAtomIter_IsCarbon, 2},
41745    {"R_swig_OBResidueAtomIter_IsCarbon", (DL_FUNC) &R_swig_OBResidueAtomIter_IsCarbon, 2},
41746    {"R_swig_OBConformerSearch_GetRotorKeys", (DL_FUNC) &R_swig_OBConformerSearch_GetRotorKeys, 2},
41747    {"R_swig_delete_OBRotorKeys", (DL_FUNC) &R_swig_delete_OBRotorKeys, 1},
41748    {"R_swig_new_OBRotorKeys", (DL_FUNC) &R_swig_new_OBRotorKeys, 0},
41749    {"R_swig_OBBitVec_SetBitOff", (DL_FUNC) &R_swig_OBBitVec_SetBitOff, 2},
41750    {"R_swig_OBBond_GetBO", (DL_FUNC) &R_swig_OBBond_GetBO, 2},
41751    {"R_swig_OBMolBondBFSIter_GetBO", (DL_FUNC) &R_swig_OBMolBondBFSIter_GetBO, 2},
41752    {"R_swig_OBMolBondIter_GetBO", (DL_FUNC) &R_swig_OBMolBondIter_GetBO, 2},
41753    {"R_swig_OBAtomBondIter_GetBO", (DL_FUNC) &R_swig_OBAtomBondIter_GetBO, 2},
41754    {"R_swig_OBFFConstraint_ia_set", (DL_FUNC) &R_swig_OBFFConstraint_ia_set, 2},
41755    {"R_swig_OBBond_IsEster", (DL_FUNC) &R_swig_OBBond_IsEster, 2},
41756    {"R_swig_OBMolBondBFSIter_IsEster", (DL_FUNC) &R_swig_OBMolBondBFSIter_IsEster, 2},
41757    {"R_swig_OBMolBondIter_IsEster", (DL_FUNC) &R_swig_OBMolBondIter_IsEster, 2},
41758    {"R_swig_OBAtomBondIter_IsEster", (DL_FUNC) &R_swig_OBAtomBondIter_IsEster, 2},
41759    {"R_swig_OBForceField_VectorSelfMultiply", (DL_FUNC) &R_swig_OBForceField_VectorSelfMultiply, 2},
41760    {"R_swig_OBForceField_VectorMultiply", (DL_FUNC) &R_swig_OBForceField_VectorMultiply, 3},
41761    {"R_swig_DoubleMultiply", (DL_FUNC) &R_swig_DoubleMultiply, 3},
41762    {"R_swig_OBMolAtomIter_HasAromaticBond", (DL_FUNC) &R_swig_OBMolAtomIter_HasAromaticBond, 2},
41763    {"R_swig_OBAtom_HasAromaticBond", (DL_FUNC) &R_swig_OBAtom_HasAromaticBond, 2},
41764    {"R_swig_OBMolAtomDFSIter_HasAromaticBond", (DL_FUNC) &R_swig_OBMolAtomDFSIter_HasAromaticBond, 2},
41765    {"R_swig_OBMolAtomBFSIter_HasAromaticBond", (DL_FUNC) &R_swig_OBMolAtomBFSIter_HasAromaticBond, 2},
41766    {"R_swig_OBAtomAtomIter_HasAromaticBond", (DL_FUNC) &R_swig_OBAtomAtomIter_HasAromaticBond, 2},
41767    {"R_swig_OBResidueAtomIter_HasAromaticBond", (DL_FUNC) &R_swig_OBResidueAtomIter_HasAromaticBond, 2},
41768    {"R_swig_OBElement_GetVdwRad", (DL_FUNC) &R_swig_OBElement_GetVdwRad, 2},
41769    {"R_swig_OBElementTable_GetVdwRad", (DL_FUNC) &R_swig_OBElementTable_GetVdwRad, 3},
41770    {"R_swig_OBAromaticTyper_AssignAromaticFlags", (DL_FUNC) &R_swig_OBAromaticTyper_AssignAromaticFlags, 2},
41771    {"R_swig_OBMolAtomDFSIter_IsConnected", (DL_FUNC) &R_swig_OBMolAtomDFSIter_IsConnected, 3},
41772    {"R_swig_OBMolAtomIter_IsConnected", (DL_FUNC) &R_swig_OBMolAtomIter_IsConnected, 3},
41773    {"R_swig_OBAtom_IsConnected", (DL_FUNC) &R_swig_OBAtom_IsConnected, 3},
41774    {"R_swig_OBMolAtomBFSIter_IsConnected", (DL_FUNC) &R_swig_OBMolAtomBFSIter_IsConnected, 3},
41775    {"R_swig_OBAtomAtomIter_IsConnected", (DL_FUNC) &R_swig_OBAtomAtomIter_IsConnected, 3},
41776    {"R_swig_OBResidueAtomIter_IsConnected", (DL_FUNC) &R_swig_OBResidueAtomIter_IsConnected, 3},
41777    {"R_swig_OBFreeGrid_BeginPoint", (DL_FUNC) &R_swig_OBFreeGrid_BeginPoint, 2},
41778    {"R_swig_OBFFConstraints_GetFactor", (DL_FUNC) &R_swig_OBFFConstraints_GetFactor, 2},
41779    {"R_swig_OBFFConstraints_SetFactor", (DL_FUNC) &R_swig_OBFFConstraints_SetFactor, 2},
41780    {"R_swig_LessThan", (DL_FUNC) &R_swig_LessThan, 3},
41781    {"R_swig_OBConversion_GetOptionParams", (DL_FUNC) &R_swig_OBConversion_GetOptionParams, 3},
41782    {"R_swig_delete_vectorOBRing", (DL_FUNC) &R_swig_delete_vectorOBRing, 1},
41783    {"R_swig_delete_vectorpOBRing", (DL_FUNC) &R_swig_delete_vectorpOBRing, 1},
41784    {"R_swig_OBForceField_ValidateGradientError", (DL_FUNC) &R_swig_OBForceField_ValidateGradientError, 4},
41785    {"R_swig_ElemDesc_get", (DL_FUNC) &R_swig_ElemDesc_get, 1},
41786    {"R_swig_SpaceGroup_GetHMName", (DL_FUNC) &R_swig_SpaceGroup_GetHMName, 2},
41787    {"R_swig_OBConversion_GetInPos", (DL_FUNC) &R_swig_OBConversion_GetInPos, 2},
41788    {"R_swig_OBError_GetPossibleCause", (DL_FUNC) &R_swig_OBError_GetPossibleCause, 2},
41789    {"R_swig_vvpairUIntUInt_front", (DL_FUNC) &R_swig_vvpairUIntUInt_front, 2},
41790    {"R_swig_OBMolAtomDFSIter_GetNewBondVector", (DL_FUNC) &R_swig_OBMolAtomDFSIter_GetNewBondVector, 4},
41791    {"R_swig_OBMolAtomDFSIter_GetVector", (DL_FUNC) &R_swig_OBMolAtomDFSIter_GetVector, 2},
41792    {"R_swig_OBMolAtomIter_GetNewBondVector", (DL_FUNC) &R_swig_OBMolAtomIter_GetNewBondVector, 4},
41793    {"R_swig_OBMolAtomIter_GetVector", (DL_FUNC) &R_swig_OBMolAtomIter_GetVector, 2},
41794    {"R_swig_OBForceField_PrintVector", (DL_FUNC) &R_swig_OBForceField_PrintVector, 1},
41795    {"R_swig_OBMol_GetGIDVector", (DL_FUNC) &R_swig_OBMol_GetGIDVector, 2},
41796    {"R_swig_OBMol_GetGTDVector", (DL_FUNC) &R_swig_OBMol_GetGTDVector, 3},
41797    {"R_swig_OBGridData_GetMaxVector", (DL_FUNC) &R_swig_OBGridData_GetMaxVector, 2},
41798    {"R_swig_OBAtom_GetVector", (DL_FUNC) &R_swig_OBAtom_GetVector, 2},
41799    {"R_swig_OBAtom_GetNewBondVector", (DL_FUNC) &R_swig_OBAtom_GetNewBondVector, 4},
41800    {"R_swig_OBMolAtomBFSIter_GetVector", (DL_FUNC) &R_swig_OBMolAtomBFSIter_GetVector, 2},
41801    {"R_swig_OBMolAtomBFSIter_GetNewBondVector", (DL_FUNC) &R_swig_OBMolAtomBFSIter_GetNewBondVector, 4},
41802    {"R_swig_OBAtomAtomIter_GetVector", (DL_FUNC) &R_swig_OBAtomAtomIter_GetVector, 2},
41803    {"R_swig_OBAtomAtomIter_GetNewBondVector", (DL_FUNC) &R_swig_OBAtomAtomIter_GetNewBondVector, 4},
41804    {"R_swig_OBResidueAtomIter_GetVector", (DL_FUNC) &R_swig_OBResidueAtomIter_GetVector, 2},
41805    {"R_swig_OBResidueAtomIter_GetNewBondVector", (DL_FUNC) &R_swig_OBResidueAtomIter_GetNewBondVector, 4},
41806    {"R_swig_OBBitVec_ToVecInt", (DL_FUNC) &R_swig_OBBitVec_ToVecInt, 2},
41807    {"R_swig_OBBitVec_FromVecInt", (DL_FUNC) &R_swig_OBBitVec_FromVecInt, 2},
41808    {"R_swig_OBAtomClassData_GetClass", (DL_FUNC) &R_swig_OBAtomClassData_GetClass, 3},
41809    {"R_swig_matrix3x3_SetRow", (DL_FUNC) &R_swig_matrix3x3_SetRow, 3},
41810    {"R_swig_OBRandom_NextInt", (DL_FUNC) &R_swig_OBRandom_NextInt, 2},
41811    {"R_swig_OBMol_HasAromaticCorrected", (DL_FUNC) &R_swig_OBMol_HasAromaticCorrected, 2},
41812    {"R_swig_OBMol_SetAromaticCorrected", (DL_FUNC) &R_swig_OBMol_SetAromaticCorrected, 1},
41813    {"R_swig_OBMolAtomDFSIter_GetCoordinate", (DL_FUNC) &R_swig_OBMolAtomDFSIter_GetCoordinate, 1},
41814    {"R_swig_OBMolAtomIter_GetCoordinate", (DL_FUNC) &R_swig_OBMolAtomIter_GetCoordinate, 1},
41815    {"R_swig_OBAtom_GetCoordinate", (DL_FUNC) &R_swig_OBAtom_GetCoordinate, 1},
41816    {"R_swig_OBMolAtomBFSIter_GetCoordinate", (DL_FUNC) &R_swig_OBMolAtomBFSIter_GetCoordinate, 1},
41817    {"R_swig_OBAtomAtomIter_GetCoordinate", (DL_FUNC) &R_swig_OBAtomAtomIter_GetCoordinate, 1},
41818    {"R_swig_OBResidueAtomIter_GetCoordinate", (DL_FUNC) &R_swig_OBResidueAtomIter_GetCoordinate, 1},
41819    {"R_swig_OBSpectrophore_GetAccuracy", (DL_FUNC) &R_swig_OBSpectrophore_GetAccuracy, 2},
41820    {"R_swig_OBMolAtomIter_SetTitle", (DL_FUNC) &R_swig_OBMolAtomIter_SetTitle, 2},
41821    {"R_swig_OBBase_SetTitle", (DL_FUNC) &R_swig_OBBase_SetTitle, 2},
41822    {"R_swig_OBConversion_GetTitle", (DL_FUNC) &R_swig_OBConversion_GetTitle, 1},
41823    {"R_swig_OBReaction_GetTitle", (DL_FUNC) &R_swig_OBReaction_GetTitle, 2},
41824    {"R_swig_OBReaction_SetTitle", (DL_FUNC) &R_swig_OBReaction_SetTitle, 2},
41825    {"R_swig_OBMolAtomDFSIter_SetTitle", (DL_FUNC) &R_swig_OBMolAtomDFSIter_SetTitle, 2},
41826    {"R_swig_OBMolAtomBFSIter_SetTitle", (DL_FUNC) &R_swig_OBMolAtomBFSIter_SetTitle, 2},
41827    {"R_swig_OBMolBondBFSIter_SetTitle", (DL_FUNC) &R_swig_OBMolBondBFSIter_SetTitle, 2},
41828    {"R_swig_OBMolBondIter_SetTitle", (DL_FUNC) &R_swig_OBMolBondIter_SetTitle, 2},
41829    {"R_swig_OBAtomAtomIter_SetTitle", (DL_FUNC) &R_swig_OBAtomAtomIter_SetTitle, 2},
41830    {"R_swig_OBAtomBondIter_SetTitle", (DL_FUNC) &R_swig_OBAtomBondIter_SetTitle, 2},
41831    {"R_swig_OBResidueIter_SetTitle", (DL_FUNC) &R_swig_OBResidueIter_SetTitle, 2},
41832    {"R_swig_OBResidueAtomIter_SetTitle", (DL_FUNC) &R_swig_OBResidueAtomIter_SetTitle, 2},
41833    {"R_swig_OBMolAtomDFSIter___ref__", (DL_FUNC) &R_swig_OBMolAtomDFSIter___ref__, 2},
41834    {"R_swig_OBMolAtomIter___ref__", (DL_FUNC) &R_swig_OBMolAtomIter___ref__, 2},
41835    {"R_swig_OBMolAtomBFSIter___ref__", (DL_FUNC) &R_swig_OBMolAtomBFSIter___ref__, 2},
41836    {"R_swig_OBMolBondBFSIter___ref__", (DL_FUNC) &R_swig_OBMolBondBFSIter___ref__, 2},
41837    {"R_swig_OBMolBondIter___ref__", (DL_FUNC) &R_swig_OBMolBondIter___ref__, 2},
41838    {"R_swig_OBAtomAtomIter___ref__", (DL_FUNC) &R_swig_OBAtomAtomIter___ref__, 2},
41839    {"R_swig_OBAtomBondIter___ref__", (DL_FUNC) &R_swig_OBAtomBondIter___ref__, 2},
41840    {"R_swig_OBResidueIter___ref__", (DL_FUNC) &R_swig_OBResidueIter___ref__, 2},
41841    {"R_swig_OBResidueAtomIter___ref__", (DL_FUNC) &R_swig_OBResidueAtomIter___ref__, 2},
41842    {"R_swig_OBMolAngleIter___ref__", (DL_FUNC) &R_swig_OBMolAngleIter___ref__, 2},
41843    {"R_swig_OBMolTorsionIter___ref__", (DL_FUNC) &R_swig_OBMolTorsionIter___ref__, 2},
41844    {"R_swig_OBMolPairIter___ref__", (DL_FUNC) &R_swig_OBMolPairIter___ref__, 2},
41845    {"R_swig_OBMolRingIter___ref__", (DL_FUNC) &R_swig_OBMolRingIter___ref__, 2},
41846    {"R_swig_OBReaction_AddAgent", (DL_FUNC) &R_swig_OBReaction_AddAgent, 2},
41847    {"R_swig_delete_OBDescriptor", (DL_FUNC) &R_swig_delete_OBDescriptor, 1},
41848    {"R_swig_new_OBAtomTyper", (DL_FUNC) &R_swig_new_OBAtomTyper, 0},
41849    {"R_swig_delete_OBAtomTyper", (DL_FUNC) &R_swig_delete_OBAtomTyper, 1},
41850    {"R_swig_OBForceField_GetAtomTypes", (DL_FUNC) &R_swig_OBForceField_GetAtomTypes, 3},
41851    {"R_swig_OBConversion_FormatFromExt", (DL_FUNC) &R_swig_OBConversion_FormatFromExt, 1},
41852    {"R_swig_OBMol_IncrementMod", (DL_FUNC) &R_swig_OBMol_IncrementMod, 1},
41853    {"R_swig_OBMol_DecrementMod", (DL_FUNC) &R_swig_OBMol_DecrementMod, 1},
41854    {"R_swig_OBOp_DoOps", (DL_FUNC) &R_swig_OBOp_DoOps, 4},
41855    {"R_swig_OBStereoUnit_para_get", (DL_FUNC) &R_swig_OBStereoUnit_para_get, 2},
41856    {"R_swig_OBError_GetExplanation", (DL_FUNC) &R_swig_OBError_GetExplanation, 2},
41857    {"R_swig_OBMolAtomDFSIter_ExplicitHydrogenCount__SWIG_1", (DL_FUNC) &R_swig_OBMolAtomDFSIter_ExplicitHydrogenCount__SWIG_1, 2},
41858    {"R_swig_OBMolAtomDFSIter_ExplicitHydrogenCount__SWIG_0", (DL_FUNC) &R_swig_OBMolAtomDFSIter_ExplicitHydrogenCount__SWIG_0, 3},
41859    {"R_swig_OBMolAtomBFSIter_ExplicitHydrogenCount__SWIG_0", (DL_FUNC) &R_swig_OBMolAtomBFSIter_ExplicitHydrogenCount__SWIG_0, 3},
41860    {"R_swig_OBMolAtomBFSIter_ExplicitHydrogenCount__SWIG_1", (DL_FUNC) &R_swig_OBMolAtomBFSIter_ExplicitHydrogenCount__SWIG_1, 2},
41861    {"R_swig_OBElement_GetElectronAffinity", (DL_FUNC) &R_swig_OBElement_GetElectronAffinity, 2},
41862    {"R_swig_OBElementTable_GetElectronAffinity", (DL_FUNC) &R_swig_OBElementTable_GetElectronAffinity, 3},
41863    {"R_swig_OBFormat_SpecificationURL", (DL_FUNC) &R_swig_OBFormat_SpecificationURL, 1},
41864    {"R_swig_OBBond_SetUp", (DL_FUNC) &R_swig_OBBond_SetUp, 1},
41865    {"R_swig_OBMolBondBFSIter_SetUp", (DL_FUNC) &R_swig_OBMolBondBFSIter_SetUp, 1},
41866    {"R_swig_OBMolBondIter_SetUp", (DL_FUNC) &R_swig_OBMolBondIter_SetUp, 1},
41867    {"R_swig_OBAtomBondIter_SetUp", (DL_FUNC) &R_swig_OBAtomBondIter_SetUp, 1},
41868    {"R_swig_OBBond_IsPrimaryAmide", (DL_FUNC) &R_swig_OBBond_IsPrimaryAmide, 2},
41869    {"R_swig_OBBond_IsSecondaryAmide", (DL_FUNC) &R_swig_OBBond_IsSecondaryAmide, 2},
41870    {"R_swig_OBBond_IsTertiaryAmide", (DL_FUNC) &R_swig_OBBond_IsTertiaryAmide, 2},
41871    {"R_swig_OBMolBondBFSIter_IsPrimaryAmide", (DL_FUNC) &R_swig_OBMolBondBFSIter_IsPrimaryAmide, 2},
41872    {"R_swig_OBMolBondBFSIter_IsSecondaryAmide", (DL_FUNC) &R_swig_OBMolBondBFSIter_IsSecondaryAmide, 2},
41873    {"R_swig_OBMolBondBFSIter_IsTertiaryAmide", (DL_FUNC) &R_swig_OBMolBondBFSIter_IsTertiaryAmide, 2},
41874    {"R_swig_OBMolBondIter_IsPrimaryAmide", (DL_FUNC) &R_swig_OBMolBondIter_IsPrimaryAmide, 2},
41875    {"R_swig_OBMolBondIter_IsSecondaryAmide", (DL_FUNC) &R_swig_OBMolBondIter_IsSecondaryAmide, 2},
41876    {"R_swig_OBMolBondIter_IsTertiaryAmide", (DL_FUNC) &R_swig_OBMolBondIter_IsTertiaryAmide, 2},
41877    {"R_swig_OBAtomBondIter_IsPrimaryAmide", (DL_FUNC) &R_swig_OBAtomBondIter_IsPrimaryAmide, 2},
41878    {"R_swig_OBAtomBondIter_IsSecondaryAmide", (DL_FUNC) &R_swig_OBAtomBondIter_IsSecondaryAmide, 2},
41879    {"R_swig_OBAtomBondIter_IsTertiaryAmide", (DL_FUNC) &R_swig_OBAtomBondIter_IsTertiaryAmide, 2},
41880    {"R_swig_OBOrbital_GetOccupation", (DL_FUNC) &R_swig_OBOrbital_GetOccupation, 2},
41881    {"R_swig_OBCisTransConfig_begin_set", (DL_FUNC) &R_swig_OBCisTransConfig_begin_set, 2},
41882    {"R_swig_OBFreeGridPoint_SetV", (DL_FUNC) &R_swig_OBFreeGridPoint_SetV, 2},
41883    {"R_swig_OBFreeGridPoint_SetX", (DL_FUNC) &R_swig_OBFreeGridPoint_SetX, 2},
41884    {"R_swig_OBMinimizingEnergyConformerScore_GetNbEnergyRequest", (DL_FUNC) &R_swig_OBMinimizingEnergyConformerScore_GetNbEnergyRequest, 2},
41885    {"R_swig_OBMinimizingEnergyConformerScore_GetNbEnergyCompute", (DL_FUNC) &R_swig_OBMinimizingEnergyConformerScore_GetNbEnergyCompute, 2},
41886    {"R_swig_OBFreeGridPoint_SetY", (DL_FUNC) &R_swig_OBFreeGridPoint_SetY, 2},
41887    {"R_swig_OBFreeGridPoint_SetZ", (DL_FUNC) &R_swig_OBFreeGridPoint_SetZ, 2},
41888    {"R_swig_delete_OBStopwatch", (DL_FUNC) &R_swig_delete_OBStopwatch, 1},
41889    {"R_swig_new_OBStopwatch", (DL_FUNC) &R_swig_new_OBStopwatch, 0},
41890    {"R_swig_OBForceField_GetLineSearchType", (DL_FUNC) &R_swig_OBForceField_GetLineSearchType, 2},
41891    {"R_swig_OBForceField_SetLineSearchType", (DL_FUNC) &R_swig_OBForceField_SetLineSearchType, 2},
41892    {"R_swig_delete_LineSearchType", (DL_FUNC) &R_swig_delete_LineSearchType, 1},
41893    {"R_swig_new_LineSearchType", (DL_FUNC) &R_swig_new_LineSearchType, 0},
41894    {"R_swig_OBMol_ConnectTheDots", (DL_FUNC) &R_swig_OBMol_ConnectTheDots, 1},
41895    {"R_swig_new_stringbuf", (DL_FUNC) &R_swig_new_stringbuf, 0},
41896    {"R_swig_delete_stringbuf", (DL_FUNC) &R_swig_delete_stringbuf, 1},
41897    {"R_swig_OBDOSData_GetIntegration", (DL_FUNC) &R_swig_OBDOSData_GetIntegration, 2},
41898    {"R_swig_OBMolAtomDFSIter_IsNotCorH", (DL_FUNC) &R_swig_OBMolAtomDFSIter_IsNotCorH, 2},
41899    {"R_swig_OBMolAtomIter_IsNotCorH", (DL_FUNC) &R_swig_OBMolAtomIter_IsNotCorH, 2},
41900    {"R_swig_OBAtom_IsNotCorH", (DL_FUNC) &R_swig_OBAtom_IsNotCorH, 2},
41901    {"R_swig_OBMolAtomBFSIter_IsNotCorH", (DL_FUNC) &R_swig_OBMolAtomBFSIter_IsNotCorH, 2},
41902    {"R_swig_OBAtomAtomIter_IsNotCorH", (DL_FUNC) &R_swig_OBAtomAtomIter_IsNotCorH, 2},
41903    {"R_swig_OBResidueAtomIter_IsNotCorH", (DL_FUNC) &R_swig_OBResidueAtomIter_IsNotCorH, 2},
41904    {"R_swig_OBForceField_SetConstraints", (DL_FUNC) &R_swig_OBForceField_SetConstraints, 2},
41905    {"R_swig_OBForceField_GetConstraints", (DL_FUNC) &R_swig_OBForceField_GetConstraints, 2},
41906    {"R_swig_delete_OBFFConstraints", (DL_FUNC) &R_swig_delete_OBFFConstraints, 1},
41907    {"R_swig_new_OBFFConstraints", (DL_FUNC) &R_swig_new_OBFFConstraints, 0},
41908    {"R_swig_OBBitVec_BitIsSet", (DL_FUNC) &R_swig_OBBitVec_BitIsSet, 3},
41909    {"R_swig_resdat_get", (DL_FUNC) &R_swig_resdat_get, 1},
41910    {"R_swig_OBPlugin_Init", (DL_FUNC) &R_swig_OBPlugin_Init, 1},
41911    {"R_swig_delete_transform3d", (DL_FUNC) &R_swig_delete_transform3d, 1},
41912    {"R_swig_OBForceField_ParseParamFile", (DL_FUNC) &R_swig_OBForceField_ParseParamFile, 2},
41913    {"R_swig_OBFFConstraint_c_get", (DL_FUNC) &R_swig_OBFFConstraint_c_get, 1},
41914    {"R_swig_OBFFCalculation3_idx_c_get", (DL_FUNC) &R_swig_OBFFCalculation3_idx_c_get, 2},
41915    {"R_swig_OBFFParameter_c_get", (DL_FUNC) &R_swig_OBFFParameter_c_get, 2},
41916    {"R_swig_matrix3x3_randomRotation", (DL_FUNC) &R_swig_matrix3x3_randomRotation, 2},
41917    {"R_swig_toGridData", (DL_FUNC) &R_swig_toGridData, 1},
41918    {"R_swig_new_OBGridData", (DL_FUNC) &R_swig_new_OBGridData, 0},
41919    {"R_swig_delete_OBGridData", (DL_FUNC) &R_swig_delete_OBGridData, 1},
41920    {"R_swig_OBMol_GetLSSR", (DL_FUNC) &R_swig_OBMol_GetLSSR, 2},
41921    {"R_swig_OBVirtualBond_GetEnd", (DL_FUNC) &R_swig_OBVirtualBond_GetEnd, 2},
41922    {"R_swig_OBSetData_GetEnd", (DL_FUNC) &R_swig_OBSetData_GetEnd, 2},
41923    {"R_swig_OBRing_Size", (DL_FUNC) &R_swig_OBRing_Size, 2},
41924    {"R_swig_OBAtomHOF_T", (DL_FUNC) &R_swig_OBAtomHOF_T, 2},
41925    {"R_swig_OBMol_DestroyAtom", (DL_FUNC) &R_swig_OBMol_DestroyAtom, 2},
41926    {"R_swig_OBMolAtomDFSIter_MemberOfRingCount", (DL_FUNC) &R_swig_OBMolAtomDFSIter_MemberOfRingCount, 2},
41927    {"R_swig_OBMolAtomIter_MemberOfRingCount", (DL_FUNC) &R_swig_OBMolAtomIter_MemberOfRingCount, 2},
41928    {"R_swig_OBAtom_MemberOfRingCount", (DL_FUNC) &R_swig_OBAtom_MemberOfRingCount, 2},
41929    {"R_swig_OBMolAtomBFSIter_MemberOfRingCount", (DL_FUNC) &R_swig_OBMolAtomBFSIter_MemberOfRingCount, 2},
41930    {"R_swig_OBAtomAtomIter_MemberOfRingCount", (DL_FUNC) &R_swig_OBAtomAtomIter_MemberOfRingCount, 2},
41931    {"R_swig_OBResidueAtomIter_MemberOfRingCount", (DL_FUNC) &R_swig_OBResidueAtomIter_MemberOfRingCount, 2},
41932    {"R_swig_delete_OBExternalBond", (DL_FUNC) &R_swig_delete_OBExternalBond, 1},
41933    {"R_swig_OBMolAtomDFSIter_IsNonPolarHydrogen", (DL_FUNC) &R_swig_OBMolAtomDFSIter_IsNonPolarHydrogen, 2},
41934    {"R_swig_OBMolAtomDFSIter_IsPolarHydrogen", (DL_FUNC) &R_swig_OBMolAtomDFSIter_IsPolarHydrogen, 2},
41935    {"R_swig_OBMolAtomIter_IsNonPolarHydrogen", (DL_FUNC) &R_swig_OBMolAtomIter_IsNonPolarHydrogen, 2},
41936    {"R_swig_OBMolAtomIter_IsPolarHydrogen", (DL_FUNC) &R_swig_OBMolAtomIter_IsPolarHydrogen, 2},
41937    {"R_swig_OBMol_DeleteHydrogen", (DL_FUNC) &R_swig_OBMol_DeleteHydrogen, 3},
41938    {"R_swig_OBAtom_IsPolarHydrogen", (DL_FUNC) &R_swig_OBAtom_IsPolarHydrogen, 2},
41939    {"R_swig_OBAtom_IsNonPolarHydrogen", (DL_FUNC) &R_swig_OBAtom_IsNonPolarHydrogen, 2},
41940    {"R_swig_OBMolAtomBFSIter_IsPolarHydrogen", (DL_FUNC) &R_swig_OBMolAtomBFSIter_IsPolarHydrogen, 2},
41941    {"R_swig_OBMolAtomBFSIter_IsNonPolarHydrogen", (DL_FUNC) &R_swig_OBMolAtomBFSIter_IsNonPolarHydrogen, 2},
41942    {"R_swig_OBAtomAtomIter_IsPolarHydrogen", (DL_FUNC) &R_swig_OBAtomAtomIter_IsPolarHydrogen, 2},
41943    {"R_swig_OBAtomAtomIter_IsNonPolarHydrogen", (DL_FUNC) &R_swig_OBAtomAtomIter_IsNonPolarHydrogen, 2},
41944    {"R_swig_OBResidueAtomIter_IsPolarHydrogen", (DL_FUNC) &R_swig_OBResidueAtomIter_IsPolarHydrogen, 2},
41945    {"R_swig_OBResidueAtomIter_IsNonPolarHydrogen", (DL_FUNC) &R_swig_OBResidueAtomIter_IsNonPolarHydrogen, 2},
41946    {"R_swig_OBPlugin_GetID", (DL_FUNC) &R_swig_OBPlugin_GetID, 1},
41947    {"R_swig_OBStopwatch_Lap", (DL_FUNC) &R_swig_OBStopwatch_Lap, 2},
41948    {"R_swig_obErrorLog_get", (DL_FUNC) &R_swig_obErrorLog_get, 1},
41949    {"R_swig_OBMolAtomDFSIter_HasAlphaBetaUnsat__SWIG_0", (DL_FUNC) &R_swig_OBMolAtomDFSIter_HasAlphaBetaUnsat__SWIG_0, 3},
41950    {"R_swig_OBMolAtomDFSIter_GetAngle__SWIG_0", (DL_FUNC) &R_swig_OBMolAtomDFSIter_GetAngle__SWIG_0, 4},
41951    {"R_swig_OBMolAtomDFSIter_GetDistance__SWIG_0", (DL_FUNC) &R_swig_OBMolAtomDFSIter_GetDistance__SWIG_0, 3},
41952    {"R_swig_OBMolAtomDFSIter_GetResidue__SWIG_0", (DL_FUNC) &R_swig_OBMolAtomDFSIter_GetResidue__SWIG_0, 1},
41953    {"R_swig_OBMolAtomDFSIter_SetVector__SWIG_0", (DL_FUNC) &R_swig_OBMolAtomDFSIter_SetVector__SWIG_0, 2},
41954    {"R_swig_OBMolAtomDFSIter_inc__SWIG_0", (DL_FUNC) &R_swig_OBMolAtomDFSIter_inc__SWIG_0, 2},
41955    {"R_swig_new_OBMolAtomDFSIter__SWIG_0", (DL_FUNC) &R_swig_new_OBMolAtomDFSIter__SWIG_0, 0},
41956    {"R_swig_OBMolAtomIter_GetData__SWIG_0", (DL_FUNC) &R_swig_OBMolAtomIter_GetData__SWIG_0, 2},
41957    {"R_swig_OBMolAtomIter_DeleteData__SWIG_0", (DL_FUNC) &R_swig_OBMolAtomIter_DeleteData__SWIG_0, 2},
41958    {"R_swig_OBMolAtomIter_HasData__SWIG_0", (DL_FUNC) &R_swig_OBMolAtomIter_HasData__SWIG_0, 3},
41959    {"R_swig_OBMolAtomIter_GetTitle__SWIG_0", (DL_FUNC) &R_swig_OBMolAtomIter_GetTitle__SWIG_0, 2},
41960    {"R_swig_OBMolAtomIter_HasAlphaBetaUnsat__SWIG_0", (DL_FUNC) &R_swig_OBMolAtomIter_HasAlphaBetaUnsat__SWIG_0, 3},
41961    {"R_swig_OBMolAtomIter_ExplicitHydrogenCount__SWIG_0", (DL_FUNC) &R_swig_OBMolAtomIter_ExplicitHydrogenCount__SWIG_0, 3},
41962    {"R_swig_OBMolAtomIter_GetAngle__SWIG_0", (DL_FUNC) &R_swig_OBMolAtomIter_GetAngle__SWIG_0, 4},
41963    {"R_swig_OBMolAtomIter_GetDistance__SWIG_0", (DL_FUNC) &R_swig_OBMolAtomIter_GetDistance__SWIG_0, 3},
41964    {"R_swig_OBMolAtomIter_GetResidue__SWIG_0", (DL_FUNC) &R_swig_OBMolAtomIter_GetResidue__SWIG_0, 1},
41965    {"R_swig_OBMolAtomIter_SetVector__SWIG_0", (DL_FUNC) &R_swig_OBMolAtomIter_SetVector__SWIG_0, 2},
41966    {"R_swig_OBMolAtomIter_inc__SWIG_0", (DL_FUNC) &R_swig_OBMolAtomIter_inc__SWIG_0, 2},
41967    {"R_swig_new_OBMolAtomIter__SWIG_0", (DL_FUNC) &R_swig_new_OBMolAtomIter__SWIG_0, 0},
41968    {"R_swig_new_OBAlign__SWIG_0", (DL_FUNC) &R_swig_new_OBAlign__SWIG_0, 2},
41969    {"R_swig_OBConformerSearch_SetLocalOptRate__SWIG_0", (DL_FUNC) &R_swig_OBConformerSearch_SetLocalOptRate__SWIG_0, 2},
41970    {"R_swig_OBConformerSearch_SetSharing__SWIG_0", (DL_FUNC) &R_swig_OBConformerSearch_SetSharing__SWIG_0, 2},
41971    {"R_swig_OBConformerSearch_Setup__SWIG_0", (DL_FUNC) &R_swig_OBConformerSearch_Setup__SWIG_0, 7},
41972    {"R_swig_new_OBStericConformerFilter__SWIG_0", (DL_FUNC) &R_swig_new_OBStericConformerFilter__SWIG_0, 0},
41973    {"R_swig_OBForceField_VectorOOPDerivative__SWIG_0", (DL_FUNC) &R_swig_OBForceField_VectorOOPDerivative__SWIG_0, 9},
41974    {"R_swig_OBForceField_VectorAngleDerivative__SWIG_0", (DL_FUNC) &R_swig_OBForceField_VectorAngleDerivative__SWIG_0, 7},
41975    {"R_swig_OBForceField_IgnoreCalculation__SWIG_0", (DL_FUNC) &R_swig_OBForceField_IgnoreCalculation__SWIG_0, 3},
41976    {"R_swig_OBForceField_ConjugateGradients__SWIG_0", (DL_FUNC) &R_swig_OBForceField_ConjugateGradients__SWIG_0, 4},
41977    {"R_swig_OBForceField_SteepestDescent__SWIG_0", (DL_FUNC) &R_swig_OBForceField_SteepestDescent__SWIG_0, 4},
41978    {"R_swig_OBForceField_LineSearch__SWIG_0", (DL_FUNC) &R_swig_OBForceField_LineSearch__SWIG_0, 4},
41979    {"R_swig_OBForceField_DiverseConfGen__SWIG_0", (DL_FUNC) &R_swig_OBForceField_DiverseConfGen__SWIG_0, 6},
41980    {"R_swig_OBForceField_FastRotorSearch__SWIG_0", (DL_FUNC) &R_swig_OBForceField_FastRotorSearch__SWIG_0, 3},
41981    {"R_swig_OBForceField_RandomRotorSearch__SWIG_0", (DL_FUNC) &R_swig_OBForceField_RandomRotorSearch__SWIG_0, 3},
41982    {"R_swig_OBForceField_SystematicRotorSearch__SWIG_0", (DL_FUNC) &R_swig_OBForceField_SystematicRotorSearch__SWIG_0, 2},
41983    {"R_swig_OBForceField_OBFFLog__SWIG_0", (DL_FUNC) &R_swig_OBForceField_OBFFLog__SWIG_0, 2},
41984    {"R_swig_OBForceField_E_Electrostatic__SWIG_0", (DL_FUNC) &R_swig_OBForceField_E_Electrostatic__SWIG_0, 3},
41985    {"R_swig_OBForceField_E_VDW__SWIG_0", (DL_FUNC) &R_swig_OBForceField_E_VDW__SWIG_0, 3},
41986    {"R_swig_OBForceField_E_OOP__SWIG_0", (DL_FUNC) &R_swig_OBForceField_E_OOP__SWIG_0, 3},
41987    {"R_swig_OBForceField_E_Torsion__SWIG_0", (DL_FUNC) &R_swig_OBForceField_E_Torsion__SWIG_0, 3},
41988    {"R_swig_OBForceField_E_StrBnd__SWIG_0", (DL_FUNC) &R_swig_OBForceField_E_StrBnd__SWIG_0, 3},
41989    {"R_swig_OBForceField_E_Angle__SWIG_0", (DL_FUNC) &R_swig_OBForceField_E_Angle__SWIG_0, 3},
41990    {"R_swig_OBForceField_E_Bond__SWIG_0", (DL_FUNC) &R_swig_OBForceField_E_Bond__SWIG_0, 3},
41991    {"R_swig_OBForceField_Energy__SWIG_0", (DL_FUNC) &R_swig_OBForceField_Energy__SWIG_0, 3},
41992    {"R_swig_OBForceField_Setup__SWIG_0", (DL_FUNC) &R_swig_OBForceField_Setup__SWIG_0, 3},
41993    {"R_swig_OBForceField_FindForceField__SWIG_0", (DL_FUNC) &R_swig_OBForceField_FindForceField__SWIG_0, 1},
41994    {"R_swig_OBSpectrophore_SetNormalization__SWIG_0", (DL_FUNC) &R_swig_OBSpectrophore_SetNormalization__SWIG_0, 2},
41995    {"R_swig_OBSpectrophore_SetStereo__SWIG_0", (DL_FUNC) &R_swig_OBSpectrophore_SetStereo__SWIG_0, 2},
41996    {"R_swig_OBSpectrophore_SetAccuracy__SWIG_0", (DL_FUNC) &R_swig_OBSpectrophore_SetAccuracy__SWIG_0, 2},
41997    {"R_swig_OBSpectrophore_SetResolution__SWIG_0", (DL_FUNC) &R_swig_OBSpectrophore_SetResolution__SWIG_0, 2},
41998    {"R_swig_new_OBSpectrophore__SWIG_0", (DL_FUNC) &R_swig_new_OBSpectrophore__SWIG_0, 0},
41999    {"R_swig_OBRotamerList_SetBaseCoordinateSets__SWIG_0", (DL_FUNC) &R_swig_OBRotamerList_SetBaseCoordinateSets__SWIG_0, 2},
42000    {"R_swig_OBRotamerList_AddRotamer__SWIG_0", (DL_FUNC) &R_swig_OBRotamerList_AddRotamer__SWIG_0, 2},
42001    {"R_swig_OBRotamerList_Setup__SWIG_0", (DL_FUNC) &R_swig_OBRotamerList_Setup__SWIG_0, 3},
42002    {"R_swig_new_rotor_digit__SWIG_0", (DL_FUNC) &R_swig_new_rotor_digit__SWIG_0, 1},
42003    {"R_swig_OBRotor_GetDihedralAtoms__SWIG_0", (DL_FUNC) &R_swig_OBRotor_GetDihedralAtoms__SWIG_0, 2},
42004    {"R_swig_OBRotor_Set__SWIG_0", (DL_FUNC) &R_swig_OBRotor_Set__SWIG_0, 6},
42005    {"R_swig_OBRotor_SetRotor__SWIG_0", (DL_FUNC) &R_swig_OBRotor_SetRotor__SWIG_0, 4},
42006    {"R_swig_OBRotor_SetDihedralAtoms__SWIG_0", (DL_FUNC) &R_swig_OBRotor_SetDihedralAtoms__SWIG_0, 2},
42007    {"R_swig_OBBitVec_FirstBit__SWIG_0", (DL_FUNC) &R_swig_OBBitVec_FirstBit__SWIG_0, 3},
42008    {"R_swig_new_OBBitVec__SWIG_0", (DL_FUNC) &R_swig_new_OBBitVec__SWIG_0, 0},
42009    {"R_swig_FindStereogenicUnits__SWIG_0", (DL_FUNC) &R_swig_FindStereogenicUnits__SWIG_0, 3},
42010    {"R_swig_CisTransFrom0D__SWIG_0", (DL_FUNC) &R_swig_CisTransFrom0D__SWIG_0, 4},
42011    {"R_swig_CisTransFrom2D__SWIG_0", (DL_FUNC) &R_swig_CisTransFrom2D__SWIG_0, 5},
42012    {"R_swig_CisTransFrom3D__SWIG_0", (DL_FUNC) &R_swig_CisTransFrom3D__SWIG_0, 4},
42013    {"R_swig_TetrahedralFrom0D__SWIG_0", (DL_FUNC) &R_swig_TetrahedralFrom0D__SWIG_0, 4},
42014    {"R_swig_TetrahedralFrom2D__SWIG_0", (DL_FUNC) &R_swig_TetrahedralFrom2D__SWIG_0, 4},
42015    {"R_swig_TetrahedralFrom3D__SWIG_0", (DL_FUNC) &R_swig_TetrahedralFrom3D__SWIG_0, 4},
42016    {"R_swig_StereoFrom3D__SWIG_0", (DL_FUNC) &R_swig_StereoFrom3D__SWIG_0, 2},
42017    {"R_swig_StereoFrom2D__SWIG_0", (DL_FUNC) &R_swig_StereoFrom2D__SWIG_0, 3},
42018    {"R_swig_PerceiveStereo__SWIG_0", (DL_FUNC) &R_swig_PerceiveStereo__SWIG_0, 2},
42019    {"R_swig_new_OBStereoFacade__SWIG_0", (DL_FUNC) &R_swig_new_OBStereoFacade__SWIG_0, 2},
42020    {"R_swig_new_OBStereoUnit__SWIG_0", (DL_FUNC) &R_swig_new_OBStereoUnit__SWIG_0, 0},
42021    {"R_swig_OBStereo_MakeRefs__SWIG_0", (DL_FUNC) &R_swig_OBStereo_MakeRefs__SWIG_0, 5},
42022    {"R_swig_CanonicalLabels__SWIG_0", (DL_FUNC) &R_swig_CanonicalLabels__SWIG_0, 6},
42023    {"R_swig_CompileSmilesQuery__SWIG_0", (DL_FUNC) &R_swig_CompileSmilesQuery__SWIG_0, 2},
42024    {"R_swig_CompileMoleculeQuery__SWIG_0", (DL_FUNC) &R_swig_CompileMoleculeQuery__SWIG_0, 2},
42025    {"R_swig_new_OBQueryBond__SWIG_0", (DL_FUNC) &R_swig_new_OBQueryBond__SWIG_0, 4},
42026    {"R_swig_new_OBQueryAtom__SWIG_0", (DL_FUNC) &R_swig_new_OBQueryAtom__SWIG_0, 3},
42027    {"R_swig_FindAutomorphisms__SWIG_0", (DL_FUNC) &R_swig_FindAutomorphisms__SWIG_0, 6},
42028    {"R_swig_OBIsomorphismMapper_MapGeneric__SWIG_0", (DL_FUNC) &R_swig_OBIsomorphismMapper_MapGeneric__SWIG_0, 4},
42029    {"R_swig_OBIsomorphismMapper_MapAll__SWIG_0", (DL_FUNC) &R_swig_OBIsomorphismMapper_MapAll__SWIG_0, 5},
42030    {"R_swig_OBIsomorphismMapper_MapUnique__SWIG_0", (DL_FUNC) &R_swig_OBIsomorphismMapper_MapUnique__SWIG_0, 4},
42031    {"R_swig_OBIsomorphismMapper_MapFirst__SWIG_0", (DL_FUNC) &R_swig_OBIsomorphismMapper_MapFirst__SWIG_0, 4},
42032    {"R_swig_OBIsomorphismMapper_GetInstance__SWIG_0", (DL_FUNC) &R_swig_OBIsomorphismMapper_GetInstance__SWIG_0, 2},
42033    {"R_swig_new_OBGraphSym__SWIG_0", (DL_FUNC) &R_swig_new_OBGraphSym__SWIG_0, 2},
42034    {"R_swig_new_OBChargeModel__SWIG_0", (DL_FUNC) &R_swig_new_OBChargeModel__SWIG_0, 2},
42035    {"R_swig_OBOp_Do__SWIG_0", (DL_FUNC) &R_swig_OBOp_Do__SWIG_0, 6},
42036    {"R_swig_OBBuilder_Connect__SWIG_0", (DL_FUNC) &R_swig_OBBuilder_Connect__SWIG_0, 6},
42037    {"R_swig_OBBuilder_GetNewBondVector__SWIG_0", (DL_FUNC) &R_swig_OBBuilder_GetNewBondVector__SWIG_0, 2},
42038    {"R_swig_OBDescriptor_Order__SWIG_0", (DL_FUNC) &R_swig_OBDescriptor_Order__SWIG_0, 4},
42039    {"R_swig_OBDescriptor_Display__SWIG_0", (DL_FUNC) &R_swig_OBDescriptor_Display__SWIG_0, 5},
42040    {"R_swig_OBDescriptor_Compare__SWIG_0", (DL_FUNC) &R_swig_OBDescriptor_Compare__SWIG_0, 6},
42041    {"R_swig_OBDescriptor_GetStringValue__SWIG_0", (DL_FUNC) &R_swig_OBDescriptor_GetStringValue__SWIG_0, 5},
42042    {"R_swig_OBDescriptor_PredictAndSave__SWIG_0", (DL_FUNC) &R_swig_OBDescriptor_PredictAndSave__SWIG_0, 4},
42043    {"R_swig_OBDescriptor_Predict__SWIG_0", (DL_FUNC) &R_swig_OBDescriptor_Predict__SWIG_0, 4},
42044    {"R_swig_new_OBDescriptor__SWIG_0", (DL_FUNC) &R_swig_new_OBDescriptor__SWIG_0, 2},
42045    {"R_swig_new_FastSearchIndexer__SWIG_0", (DL_FUNC) &R_swig_new_FastSearchIndexer__SWIG_0, 5},
42046    {"R_swig_FastSearch_FindSimilar__SWIG_0", (DL_FUNC) &R_swig_FastSearch_FindSimilar__SWIG_0, 6},
42047    {"R_swig_OBFingerprint_Tanimoto__SWIG_0", (DL_FUNC) &R_swig_OBFingerprint_Tanimoto__SWIG_0, 3},
42048    {"R_swig_OBFingerprint_DescribeBits__SWIG_0", (DL_FUNC) &R_swig_OBFingerprint_DescribeBits__SWIG_0, 4},
42049    {"R_swig_OBFingerprint_GetFingerprint__SWIG_0", (DL_FUNC) &R_swig_OBFingerprint_GetFingerprint__SWIG_0, 5},
42050    {"R_swig_AliasData_GetAlias__SWIG_0", (DL_FUNC) &R_swig_AliasData_GetAlias__SWIG_0, 3},
42051    {"R_swig_AliasData_SetAlias__SWIG_0", (DL_FUNC) &R_swig_AliasData_SetAlias__SWIG_0, 2},
42052    {"R_swig_OBSSMatch_Match__SWIG_0", (DL_FUNC) &R_swig_OBSSMatch_Match__SWIG_0, 3},
42053    {"R_swig_OBSmartsMatcher_match__SWIG_0", (DL_FUNC) &R_swig_OBSmartsMatcher_match__SWIG_0, 6},
42054    {"R_swig_OBSmartsPattern_RestrictedMatch__SWIG_0", (DL_FUNC) &R_swig_OBSmartsPattern_RestrictedMatch__SWIG_0, 5},
42055    {"R_swig_OBSmartsPattern_Match__SWIG_0", (DL_FUNC) &R_swig_OBSmartsPattern_Match__SWIG_0, 4},
42056    {"R_swig_OBSmartsPattern_Init__SWIG_0", (DL_FUNC) &R_swig_OBSmartsPattern_Init__SWIG_0, 3},
42057    {"R_swig_new_OBSmartsPattern__SWIG_0", (DL_FUNC) &R_swig_new_OBSmartsPattern__SWIG_0, 0},
42058    {"R_swig_OBRing_IsMember__SWIG_0", (DL_FUNC) &R_swig_OBRing_IsMember__SWIG_0, 3},
42059    {"R_swig_OBRing_SetType__SWIG_0", (DL_FUNC) &R_swig_OBRing_SetType__SWIG_0, 2},
42060    {"R_swig_new_OBRing__SWIG_0", (DL_FUNC) &R_swig_new_OBRing__SWIG_0, 0},
42061    {"R_swig_ThrowError__SWIG_0", (DL_FUNC) &R_swig_ThrowError__SWIG_0, 1},
42062    {"R_swig_OBMol_Has2D__SWIG_0", (DL_FUNC) &R_swig_OBMol_Has2D__SWIG_0, 3},
42063    {"R_swig_OBMol_FindChildren__SWIG_0", (DL_FUNC) &R_swig_OBMol_FindChildren__SWIG_0, 4},
42064    {"R_swig_OBMol_AssignSpinMultiplicity__SWIG_0", (DL_FUNC) &R_swig_OBMol_AssignSpinMultiplicity__SWIG_0, 3},
42065    {"R_swig_OBMol_CorrectForPH__SWIG_0", (DL_FUNC) &R_swig_OBMol_CorrectForPH__SWIG_0, 3},
42066    {"R_swig_OBMol_Separate__SWIG_0", (DL_FUNC) &R_swig_OBMol_Separate__SWIG_0, 3},
42067    {"R_swig_OBMol_StripSalts__SWIG_0", (DL_FUNC) &R_swig_OBMol_StripSalts__SWIG_0, 3},
42068    {"R_swig_OBMol_AddNewHydrogens__SWIG_0", (DL_FUNC) &R_swig_OBMol_AddNewHydrogens__SWIG_0, 5},
42069    {"R_swig_OBMol_AddHydrogens__SWIG_0", (DL_FUNC) &R_swig_OBMol_AddHydrogens__SWIG_0, 5},
42070    {"R_swig_OBMol_DeleteHydrogens__SWIG_0", (DL_FUNC) &R_swig_OBMol_DeleteHydrogens__SWIG_0, 2},
42071    {"R_swig_OBMol_Center__SWIG_0", (DL_FUNC) &R_swig_OBMol_Center__SWIG_0, 1},
42072    {"R_swig_OBMol_Rotate__SWIG_0", (DL_FUNC) &R_swig_OBMol_Rotate__SWIG_0, 2},
42073    {"R_swig_OBMol_Translate__SWIG_0", (DL_FUNC) &R_swig_OBMol_Translate__SWIG_0, 2},
42074    {"R_swig_OBMol_ToInertialFrame__SWIG_0", (DL_FUNC) &R_swig_OBMol_ToInertialFrame__SWIG_0, 3},
42075    {"R_swig_OBMol_RenumberAtoms__SWIG_0", (DL_FUNC) &R_swig_OBMol_RenumberAtoms__SWIG_0, 2},
42076    {"R_swig_OBMol_SetTitle__SWIG_0", (DL_FUNC) &R_swig_OBMol_SetTitle__SWIG_0, 2},
42077    {"R_swig_OBMol_GetExactMass__SWIG_0", (DL_FUNC) &R_swig_OBMol_GetExactMass__SWIG_0, 3},
42078    {"R_swig_OBMol_GetMolWt__SWIG_0", (DL_FUNC) &R_swig_OBMol_GetMolWt__SWIG_0, 3},
42079    {"R_swig_OBMol_GetEnergy__SWIG_0", (DL_FUNC) &R_swig_OBMol_GetEnergy__SWIG_0, 2},
42080    {"R_swig_OBMol_GetSpacedFormula__SWIG_0", (DL_FUNC) &R_swig_OBMol_GetSpacedFormula__SWIG_0, 5},
42081    {"R_swig_OBMol_GetTorsion__SWIG_0", (DL_FUNC) &R_swig_OBMol_GetTorsion__SWIG_0, 6},
42082    {"R_swig_OBMol_GetBond__SWIG_0", (DL_FUNC) &R_swig_OBMol_GetBond__SWIG_0, 2},
42083    {"R_swig_OBMol_GetTitle__SWIG_0", (DL_FUNC) &R_swig_OBMol_GetTitle__SWIG_0, 2},
42084    {"R_swig_OBTorsion_SetAngle__SWIG_0", (DL_FUNC) &R_swig_OBTorsion_SetAngle__SWIG_0, 4},
42085    {"R_swig_OBTorsion_AddTorsion__SWIG_0", (DL_FUNC) &R_swig_OBTorsion_AddTorsion__SWIG_0, 6},
42086    {"R_swig_OBSymmetryData_SetData__SWIG_0", (DL_FUNC) &R_swig_OBSymmetryData_SetData__SWIG_0, 3},
42087    {"R_swig_new_OBSymmetryData__SWIG_0", (DL_FUNC) &R_swig_new_OBSymmetryData__SWIG_0, 0},
42088    {"R_swig_new_OBConformerData__SWIG_0", (DL_FUNC) &R_swig_new_OBConformerData__SWIG_0, 0},
42089    {"R_swig_OBUnitCell_GetCellVolume__SWIG_0", (DL_FUNC) &R_swig_OBUnitCell_GetCellVolume__SWIG_0, 2},
42090    {"R_swig_OBUnitCell_GetSpaceGroupNumber__SWIG_0", (DL_FUNC) &R_swig_OBUnitCell_GetSpaceGroupNumber__SWIG_0, 3},
42091    {"R_swig_OBUnitCell_WrapFractionalCoordinate__SWIG_0", (DL_FUNC) &R_swig_OBUnitCell_WrapFractionalCoordinate__SWIG_0, 3},
42092    {"R_swig_OBUnitCell_WrapCartesianCoordinate__SWIG_0", (DL_FUNC) &R_swig_OBUnitCell_WrapCartesianCoordinate__SWIG_0, 3},
42093    {"R_swig_OBUnitCell_CartesianToFractional__SWIG_0", (DL_FUNC) &R_swig_OBUnitCell_CartesianToFractional__SWIG_0, 3},
42094    {"R_swig_OBUnitCell_FractionalToCartesian__SWIG_0", (DL_FUNC) &R_swig_OBUnitCell_FractionalToCartesian__SWIG_0, 3},
42095    {"R_swig_OBUnitCell_GetFractionalMatrix__SWIG_0", (DL_FUNC) &R_swig_OBUnitCell_GetFractionalMatrix__SWIG_0, 2},
42096    {"R_swig_OBUnitCell_GetOrientationMatrix__SWIG_0", (DL_FUNC) &R_swig_OBUnitCell_GetOrientationMatrix__SWIG_0, 2},
42097    {"R_swig_OBUnitCell_GetOrthoMatrix__SWIG_0", (DL_FUNC) &R_swig_OBUnitCell_GetOrthoMatrix__SWIG_0, 2},
42098    {"R_swig_OBUnitCell_GetCellMatrix__SWIG_0", (DL_FUNC) &R_swig_OBUnitCell_GetCellMatrix__SWIG_0, 2},
42099    {"R_swig_OBUnitCell_GetCellVectors__SWIG_0", (DL_FUNC) &R_swig_OBUnitCell_GetCellVectors__SWIG_0, 2},
42100    {"R_swig_OBUnitCell_GetLatticeType__SWIG_0", (DL_FUNC) &R_swig_OBUnitCell_GetLatticeType__SWIG_0, 3},
42101    {"R_swig_OBUnitCell_GetSpaceGroupName__SWIG_0", (DL_FUNC) &R_swig_OBUnitCell_GetSpaceGroupName__SWIG_0, 2},
42102    {"R_swig_OBUnitCell_GetSpaceGroup__SWIG_0", (DL_FUNC) &R_swig_OBUnitCell_GetSpaceGroup__SWIG_0, 1},
42103    {"R_swig_OBUnitCell_GetOffset__SWIG_0", (DL_FUNC) &R_swig_OBUnitCell_GetOffset__SWIG_0, 2},
42104    {"R_swig_OBUnitCell_GetGamma__SWIG_0", (DL_FUNC) &R_swig_OBUnitCell_GetGamma__SWIG_0, 2},
42105    {"R_swig_OBUnitCell_GetBeta__SWIG_0", (DL_FUNC) &R_swig_OBUnitCell_GetBeta__SWIG_0, 2},
42106    {"R_swig_OBUnitCell_GetAlpha__SWIG_0", (DL_FUNC) &R_swig_OBUnitCell_GetAlpha__SWIG_0, 2},
42107    {"R_swig_OBUnitCell_GetC__SWIG_0", (DL_FUNC) &R_swig_OBUnitCell_GetC__SWIG_0, 2},
42108    {"R_swig_OBUnitCell_GetB__SWIG_0", (DL_FUNC) &R_swig_OBUnitCell_GetB__SWIG_0, 2},
42109    {"R_swig_OBUnitCell_GetA__SWIG_0", (DL_FUNC) &R_swig_OBUnitCell_GetA__SWIG_0, 2},
42110    {"R_swig_OBUnitCell_SetSpaceGroup__SWIG_0", (DL_FUNC) &R_swig_OBUnitCell_SetSpaceGroup__SWIG_0, 2},
42111    {"R_swig_OBUnitCell_SetData__SWIG_0", (DL_FUNC) &R_swig_OBUnitCell_SetData__SWIG_0, 7},
42112    {"R_swig_new_OBUnitCell__SWIG_0", (DL_FUNC) &R_swig_new_OBUnitCell__SWIG_0, 0},
42113    {"R_swig_new_OBRingData__SWIG_0", (DL_FUNC) &R_swig_new_OBRingData__SWIG_0, 0},
42114    {"R_swig_new_OBVirtualBond__SWIG_0", (DL_FUNC) &R_swig_new_OBVirtualBond__SWIG_0, 0},
42115    {"R_swig_OBSetData_GetData__SWIG_0", (DL_FUNC) &R_swig_OBSetData_GetData__SWIG_0, 2},
42116    {"R_swig_OBPairData_SetValue__SWIG_0", (DL_FUNC) &R_swig_OBPairData_SetValue__SWIG_0, 2},
42117    {"R_swig_new_OBExternalBond__SWIG_0", (DL_FUNC) &R_swig_new_OBExternalBond__SWIG_0, 0},
42118    {"R_swig_OBCommentData_SetData__SWIG_0", (DL_FUNC) &R_swig_OBCommentData_SetData__SWIG_0, 2},
42119    {"R_swig_new_OBCommentData__SWIG_0", (DL_FUNC) &R_swig_new_OBCommentData__SWIG_0, 0},
42120    {"R_swig_OBBase_GetData__SWIG_0", (DL_FUNC) &R_swig_OBBase_GetData__SWIG_0, 2},
42121    {"R_swig_OBBase_DeleteData__SWIG_0", (DL_FUNC) &R_swig_OBBase_DeleteData__SWIG_0, 2},
42122    {"R_swig_OBBase_HasData__SWIG_0", (DL_FUNC) &R_swig_OBBase_HasData__SWIG_0, 3},
42123    {"R_swig_OBBase_GetTitle__SWIG_0", (DL_FUNC) &R_swig_OBBase_GetTitle__SWIG_0, 2},
42124    {"R_swig_new_OBGenericData__SWIG_0", (DL_FUNC) &R_swig_new_OBGenericData__SWIG_0, 3},
42125    {"R_swig_SpaceGroup_GetSpaceGroup__SWIG_0", (DL_FUNC) &R_swig_SpaceGroup_GetSpaceGroup__SWIG_0, 1},
42126    {"R_swig_SpaceGroup_SetHallName__SWIG_0", (DL_FUNC) &R_swig_SpaceGroup_SetHallName__SWIG_0, 2},
42127    {"R_swig_SpaceGroup_SetHMName__SWIG_0", (DL_FUNC) &R_swig_SpaceGroup_SetHMName__SWIG_0, 2},
42128    {"R_swig_new_transform3d__SWIG_0", (DL_FUNC) &R_swig_new_transform3d__SWIG_0, 0},
42129    {"R_swig_Multiply__SWIG_0", (DL_FUNC) &R_swig_Multiply__SWIG_0, 3},
42130    {"R_swig_new_matrix3x3__SWIG_0", (DL_FUNC) &R_swig_new_matrix3x3__SWIG_0, 0},
42131    {"R_swig_vector3_z__SWIG_0", (DL_FUNC) &R_swig_vector3_z__SWIG_0, 2},
42132    {"R_swig_vector3_y__SWIG_0", (DL_FUNC) &R_swig_vector3_y__SWIG_0, 2},
42133    {"R_swig_vector3_x__SWIG_0", (DL_FUNC) &R_swig_vector3_x__SWIG_0, 2},
42134    {"R_swig_vector3_randomUnitVector__SWIG_0", (DL_FUNC) &R_swig_vector3_randomUnitVector__SWIG_0, 2},
42135    {"R_swig_vector3_Set__SWIG_0", (DL_FUNC) &R_swig_vector3_Set__SWIG_0, 4},
42136    {"R_swig_new_vector3__SWIG_0", (DL_FUNC) &R_swig_new_vector3__SWIG_0, 3},
42137    {"R_swig_new_OBSqrtTbl__SWIG_0", (DL_FUNC) &R_swig_new_OBSqrtTbl__SWIG_0, 0},
42138    {"R_swig_new_OBRandom__SWIG_0", (DL_FUNC) &R_swig_new_OBRandom__SWIG_0, 1},
42139    {"R_swig_OBResidueData_LookupBO__SWIG_0", (DL_FUNC) &R_swig_OBResidueData_LookupBO__SWIG_0, 3},
42140    {"R_swig_OBTypeTable_Translate__SWIG_0", (DL_FUNC) &R_swig_OBTypeTable_Translate__SWIG_0, 4},
42141    {"R_swig_OBIsotopeTable_GetExactMass__SWIG_0", (DL_FUNC) &R_swig_OBIsotopeTable_GetExactMass__SWIG_0, 4},
42142    {"R_swig_new_vectorOBResidue__SWIG_0", (DL_FUNC) &R_swig_new_vectorOBResidue__SWIG_0, 0},
42143    {"R_swig_new_vectorOBBond__SWIG_0", (DL_FUNC) &R_swig_new_vectorOBBond__SWIG_0, 0},
42144    {"R_swig_new_vectorOBMol__SWIG_0", (DL_FUNC) &R_swig_new_vectorOBMol__SWIG_0, 0},
42145    {"R_swig_new_vectorvVector3__SWIG_0", (DL_FUNC) &R_swig_new_vectorvVector3__SWIG_0, 0},
42146    {"R_swig_new_vectorVector3__SWIG_0", (DL_FUNC) &R_swig_new_vectorVector3__SWIG_0, 0},
42147    {"R_swig_new_vectorString__SWIG_0", (DL_FUNC) &R_swig_new_vectorString__SWIG_0, 0},
42148    {"R_swig_new_vectorUnsignedInt__SWIG_0", (DL_FUNC) &R_swig_new_vectorUnsignedInt__SWIG_0, 0},
42149    {"R_swig_new_vectorInt__SWIG_0", (DL_FUNC) &R_swig_new_vectorInt__SWIG_0, 0},
42150    {"R_swig_new_vectorvInt__SWIG_0", (DL_FUNC) &R_swig_new_vectorvInt__SWIG_0, 0},
42151    {"R_swig_new_vectorDouble__SWIG_0", (DL_FUNC) &R_swig_new_vectorDouble__SWIG_0, 0},
42152    {"R_swig_new_vectorOBRing__SWIG_0", (DL_FUNC) &R_swig_new_vectorOBRing__SWIG_0, 0},
42153    {"R_swig_new_vectorpOBRing__SWIG_0", (DL_FUNC) &R_swig_new_vectorpOBRing__SWIG_0, 0},
42154    {"R_swig_new_vectorpOBGenericData__SWIG_0", (DL_FUNC) &R_swig_new_vectorpOBGenericData__SWIG_0, 0},
42155    {"R_swig_new_vectorpOBInternalCoord__SWIG_0", (DL_FUNC) &R_swig_new_vectorpOBInternalCoord__SWIG_0, 0},
42156    {"R_swig_new_pairUIntUInt__SWIG_0", (DL_FUNC) &R_swig_new_pairUIntUInt__SWIG_0, 0},
42157    {"R_swig_new_vpairUIntUInt__SWIG_0", (DL_FUNC) &R_swig_new_vpairUIntUInt__SWIG_0, 0},
42158    {"R_swig_new_vvpairUIntUInt__SWIG_0", (DL_FUNC) &R_swig_new_vvpairUIntUInt__SWIG_0, 0},
42159    {"R_swig_vvpairUIntUInt_resize__SWIG_0", (DL_FUNC) &R_swig_vvpairUIntUInt_resize__SWIG_0, 2},
42160    {"R_swig_new_OBElement__SWIG_0", (DL_FUNC) &R_swig_new_OBElement__SWIG_0, 0},
42161    {"R_swig_OBElementTable_GetAtomicNum__SWIG_0", (DL_FUNC) &R_swig_OBElementTable_GetAtomicNum__SWIG_0, 3},
42162    {"R_swig_OBElementTable_CorrectedBondRad__SWIG_0", (DL_FUNC) &R_swig_OBElementTable_CorrectedBondRad__SWIG_0, 4},
42163    {"R_swig_OBElementTable_CorrectedVdwRad__SWIG_0", (DL_FUNC) &R_swig_OBElementTable_CorrectedVdwRad__SWIG_0, 4},
42164    {"R_swig_OBTorsion_GetAngle__SWIG_0", (DL_FUNC) &R_swig_OBTorsion_GetAngle__SWIG_0, 4},
42165    {"R_swig_OBAngle_SetAtoms__SWIG_0", (DL_FUNC) &R_swig_OBAngle_SetAtoms__SWIG_0, 4},
42166    {"R_swig_OBAngleData_FillAngleArray__SWIG_0", (DL_FUNC) &R_swig_OBAngleData_FillAngleArray__SWIG_0, 4},
42167    {"R_swig_new_OBChiralData__SWIG_0", (DL_FUNC) &R_swig_new_OBChiralData__SWIG_0, 0},
42168    {"R_swig_new_OBSerialNums__SWIG_0", (DL_FUNC) &R_swig_new_OBSerialNums__SWIG_0, 0},
42169    {"R_swig_OBVibrationData_SetData__SWIG_0", (DL_FUNC) &R_swig_OBVibrationData_SetData__SWIG_0, 4},
42170    {"R_swig_OBOrbital_SetData__SWIG_0", (DL_FUNC) &R_swig_OBOrbital_SetData__SWIG_0, 4},
42171    {"R_swig_OBOrbitalData_SetHOMO__SWIG_0", (DL_FUNC) &R_swig_OBOrbitalData_SetHOMO__SWIG_0, 3},
42172    {"R_swig_OBVectorData_SetData__SWIG_0", (DL_FUNC) &R_swig_OBVectorData_SetData__SWIG_0, 4},
42173    {"R_swig_new_OBFreeGridPoint__SWIG_0", (DL_FUNC) &R_swig_new_OBFreeGridPoint__SWIG_0, 0},
42174    {"R_swig_OBGridData_GetAxes__SWIG_0", (DL_FUNC) &R_swig_OBGridData_GetAxes__SWIG_0, 4},
42175    {"R_swig_OBGridData_GetNumberOfPoints__SWIG_0", (DL_FUNC) &R_swig_OBGridData_GetNumberOfPoints__SWIG_0, 4},
42176    {"R_swig_OBGridData_GetValue__SWIG_0", (DL_FUNC) &R_swig_OBGridData_GetValue__SWIG_0, 5},
42177    {"R_swig_OBGridData_GetOriginVector__SWIG_0", (DL_FUNC) &R_swig_OBGridData_GetOriginVector__SWIG_0, 2},
42178    {"R_swig_OBGridData_SetLimits__SWIG_0", (DL_FUNC) &R_swig_OBGridData_SetLimits__SWIG_0, 5},
42179    {"R_swig_OBChainsParser_PerceiveChains__SWIG_0", (DL_FUNC) &R_swig_OBChainsParser_PerceiveChains__SWIG_0, 4},
42180    {"R_swig_OBAtomTyper_AssignImplicitValence__SWIG_0", (DL_FUNC) &R_swig_OBAtomTyper_AssignImplicitValence__SWIG_0, 3},
42181    {"R_swig_OBAromaticTyper_SelectRootAtoms__SWIG_0", (DL_FUNC) &R_swig_OBAromaticTyper_SelectRootAtoms__SWIG_0, 3},
42182    {"R_swig_OBPlugin_Display__SWIG_0", (DL_FUNC) &R_swig_OBPlugin_Display__SWIG_0, 5},
42183    {"R_swig_OBPlugin_List__SWIG_0", (DL_FUNC) &R_swig_OBPlugin_List__SWIG_0, 3},
42184    {"R_swig_OBPlugin_ListAsString__SWIG_0", (DL_FUNC) &R_swig_OBPlugin_ListAsString__SWIG_0, 3},
42185    {"R_swig_new_OBError__SWIG_0", (DL_FUNC) &R_swig_new_OBError__SWIG_0, 6},
42186    {"R_swig_OBMessageHandler_ThrowError__SWIG_0", (DL_FUNC) &R_swig_OBMessageHandler_ThrowError__SWIG_0, 3},
42187    {"R_swig_OBFormat_RegisterFormat__SWIG_0", (DL_FUNC) &R_swig_OBFormat_RegisterFormat__SWIG_0, 4},
42188    {"R_swig_OBFormat_Display__SWIG_0", (DL_FUNC) &R_swig_OBFormat_Display__SWIG_0, 5},
42189    {"R_swig_new_OBConversion__SWIG_0", (DL_FUNC) &R_swig_new_OBConversion__SWIG_0, 2},
42190    {"R_swig_OBConversion_RegisterFormat__SWIG_0", (DL_FUNC) &R_swig_OBConversion_RegisterFormat__SWIG_0, 4},
42191    {"R_swig_OBConversion_SetInAndOutFormats__SWIG_0", (DL_FUNC) &R_swig_OBConversion_SetInAndOutFormats__SWIG_0, 4},
42192    {"R_swig_OBConversion_SetInFormat__SWIG_0", (DL_FUNC) &R_swig_OBConversion_SetInFormat__SWIG_0, 3},
42193    {"R_swig_OBConversion_SetOutFormat__SWIG_0", (DL_FUNC) &R_swig_OBConversion_SetOutFormat__SWIG_0, 3},
42194    {"R_swig_OBConversion_IsOption__SWIG_0", (DL_FUNC) &R_swig_OBConversion_IsOption__SWIG_0, 3},
42195    {"R_swig_OBConversion_AddOption__SWIG_0", (DL_FUNC) &R_swig_OBConversion_AddOption__SWIG_0, 4},
42196    {"R_swig_OBConversion_RegisterOptionParam__SWIG_0", (DL_FUNC) &R_swig_OBConversion_RegisterOptionParam__SWIG_0, 4},
42197    {"R_swig_OBConversion_CopyOptions__SWIG_0", (DL_FUNC) &R_swig_OBConversion_CopyOptions__SWIG_0, 3},
42198    {"R_swig_OBConversion_Convert__SWIG_0", (DL_FUNC) &R_swig_OBConversion_Convert__SWIG_0, 4},
42199    {"R_swig_OBConversion_SetFirstInput__SWIG_0", (DL_FUNC) &R_swig_OBConversion_SetFirstInput__SWIG_0, 2},
42200    {"R_swig_OBConversion_SetOneObjectOnly__SWIG_0", (DL_FUNC) &R_swig_OBConversion_SetOneObjectOnly__SWIG_0, 2},
42201    {"R_swig_OBConversion_Write__SWIG_0", (DL_FUNC) &R_swig_OBConversion_Write__SWIG_0, 4},
42202    {"R_swig_OBConversion_WriteString__SWIG_0", (DL_FUNC) &R_swig_OBConversion_WriteString__SWIG_0, 4},
42203    {"R_swig_OBConversion_Read__SWIG_0", (DL_FUNC) &R_swig_OBConversion_Read__SWIG_0, 4},
42204    {"R_swig_OBConversion_ReportNumberConverted__SWIG_0", (DL_FUNC) &R_swig_OBConversion_ReportNumberConverted__SWIG_0, 3},
42205    {"R_swig_new_OBResidue__SWIG_0", (DL_FUNC) &R_swig_new_OBResidue__SWIG_0, 0},
42206    {"R_swig_OBResidue_SetNum__SWIG_0", (DL_FUNC) &R_swig_OBResidue_SetNum__SWIG_0, 2},
42207    {"R_swig_OBResidue_GetBonds__SWIG_0", (DL_FUNC) &R_swig_OBResidue_GetBonds__SWIG_0, 3},
42208    {"R_swig_new_OBInternalCoord__SWIG_0", (DL_FUNC) &R_swig_new_OBInternalCoord__SWIG_0, 6},
42209    {"R_swig_OBAtom_SetVector__SWIG_0", (DL_FUNC) &R_swig_OBAtom_SetVector__SWIG_0, 2},
42210    {"R_swig_OBAtom_GetResidue__SWIG_0", (DL_FUNC) &R_swig_OBAtom_GetResidue__SWIG_0, 1},
42211    {"R_swig_OBAtom_GetDistance__SWIG_0", (DL_FUNC) &R_swig_OBAtom_GetDistance__SWIG_0, 3},
42212    {"R_swig_OBAtom_GetAngle__SWIG_0", (DL_FUNC) &R_swig_OBAtom_GetAngle__SWIG_0, 4},
42213    {"R_swig_OBAtom_ExplicitHydrogenCount__SWIG_0", (DL_FUNC) &R_swig_OBAtom_ExplicitHydrogenCount__SWIG_0, 3},
42214    {"R_swig_OBAtom_HasAlphaBetaUnsat__SWIG_0", (DL_FUNC) &R_swig_OBAtom_HasAlphaBetaUnsat__SWIG_0, 3},
42215    {"R_swig_OBBond_SetLength__SWIG_0", (DL_FUNC) &R_swig_OBBond_SetLength__SWIG_0, 3},
42216    {"R_swig_OBBond_SetInRing__SWIG_0", (DL_FUNC) &R_swig_OBBond_SetInRing__SWIG_0, 2},
42217    {"R_swig_OBReaction_SetReversible__SWIG_0", (DL_FUNC) &R_swig_OBReaction_SetReversible__SWIG_0, 2},
42218    {"R_swig_new_OBMol__SWIG_0", (DL_FUNC) &R_swig_new_OBMol__SWIG_0, 0},
42219    {"R_swig_OBMol_AddAtom__SWIG_0", (DL_FUNC) &R_swig_OBMol_AddAtom__SWIG_0, 4},
42220    {"R_swig_OBMol_AddBond__SWIG_0", (DL_FUNC) &R_swig_OBMol_AddBond__SWIG_0, 7},
42221    {"R_swig_OBMol_NewAtom__SWIG_0", (DL_FUNC) &R_swig_OBMol_NewAtom__SWIG_0, 1},
42222    {"R_swig_OBMol_NewBond__SWIG_0", (DL_FUNC) &R_swig_OBMol_NewBond__SWIG_0, 1},
42223    {"R_swig_OBMol_DeleteAtom__SWIG_0", (DL_FUNC) &R_swig_OBMol_DeleteAtom__SWIG_0, 4},
42224    {"R_swig_OBMol_DeleteBond__SWIG_0", (DL_FUNC) &R_swig_OBMol_DeleteBond__SWIG_0, 4},
42225    {"R_swig_OBMol_DeleteResidue__SWIG_0", (DL_FUNC) &R_swig_OBMol_DeleteResidue__SWIG_0, 4},
42226    {"R_swig_OBMol_EndModify__SWIG_0", (DL_FUNC) &R_swig_OBMol_EndModify__SWIG_0, 2},
42227    {"R_swig_OBTorsion_GetADs", (DL_FUNC) &R_swig_OBTorsion_GetADs, 2},
42228    {"R_swig_OBMolAtomDFSIter_GetTitle__SWIG_0", (DL_FUNC) &R_swig_OBMolAtomDFSIter_GetTitle__SWIG_0, 2},
42229    {"R_swig_OBMolAtomDFSIter_HasData__SWIG_0", (DL_FUNC) &R_swig_OBMolAtomDFSIter_HasData__SWIG_0, 3},
42230    {"R_swig_OBMolAtomDFSIter_DeleteData__SWIG_0", (DL_FUNC) &R_swig_OBMolAtomDFSIter_DeleteData__SWIG_0, 2},
42231    {"R_swig_OBMolAtomDFSIter_GetData__SWIG_0", (DL_FUNC) &R_swig_OBMolAtomDFSIter_GetData__SWIG_0, 2},
42232    {"R_swig_new_OBMolAtomBFSIter__SWIG_0", (DL_FUNC) &R_swig_new_OBMolAtomBFSIter__SWIG_0, 0},
42233    {"R_swig_OBMolAtomBFSIter_inc__SWIG_0", (DL_FUNC) &R_swig_OBMolAtomBFSIter_inc__SWIG_0, 2},
42234    {"R_swig_OBMolAtomBFSIter_SetVector__SWIG_0", (DL_FUNC) &R_swig_OBMolAtomBFSIter_SetVector__SWIG_0, 2},
42235    {"R_swig_OBMolAtomBFSIter_GetResidue__SWIG_0", (DL_FUNC) &R_swig_OBMolAtomBFSIter_GetResidue__SWIG_0, 1},
42236    {"R_swig_OBMolAtomBFSIter_GetDistance__SWIG_0", (DL_FUNC) &R_swig_OBMolAtomBFSIter_GetDistance__SWIG_0, 3},
42237    {"R_swig_OBMolAtomBFSIter_GetAngle__SWIG_0", (DL_FUNC) &R_swig_OBMolAtomBFSIter_GetAngle__SWIG_0, 4},
42238    {"R_swig_OBMolAtomBFSIter_HasAlphaBetaUnsat__SWIG_0", (DL_FUNC) &R_swig_OBMolAtomBFSIter_HasAlphaBetaUnsat__SWIG_0, 3},
42239    {"R_swig_OBMolAtomBFSIter_GetTitle__SWIG_0", (DL_FUNC) &R_swig_OBMolAtomBFSIter_GetTitle__SWIG_0, 2},
42240    {"R_swig_OBMolAtomBFSIter_HasData__SWIG_0", (DL_FUNC) &R_swig_OBMolAtomBFSIter_HasData__SWIG_0, 3},
42241    {"R_swig_OBMolAtomBFSIter_DeleteData__SWIG_0", (DL_FUNC) &R_swig_OBMolAtomBFSIter_DeleteData__SWIG_0, 2},
42242    {"R_swig_OBMolAtomBFSIter_GetData__SWIG_0", (DL_FUNC) &R_swig_OBMolAtomBFSIter_GetData__SWIG_0, 2},
42243    {"R_swig_new_OBMolBondBFSIter__SWIG_0", (DL_FUNC) &R_swig_new_OBMolBondBFSIter__SWIG_0, 0},
42244    {"R_swig_OBMolBondBFSIter_SetLength__SWIG_0", (DL_FUNC) &R_swig_OBMolBondBFSIter_SetLength__SWIG_0, 3},
42245    {"R_swig_OBMolBondBFSIter_SetInRing__SWIG_0", (DL_FUNC) &R_swig_OBMolBondBFSIter_SetInRing__SWIG_0, 2},
42246    {"R_swig_OBMolBondBFSIter_GetTitle__SWIG_0", (DL_FUNC) &R_swig_OBMolBondBFSIter_GetTitle__SWIG_0, 2},
42247    {"R_swig_OBMolBondBFSIter_HasData__SWIG_0", (DL_FUNC) &R_swig_OBMolBondBFSIter_HasData__SWIG_0, 3},
42248    {"R_swig_OBMolBondBFSIter_DeleteData__SWIG_0", (DL_FUNC) &R_swig_OBMolBondBFSIter_DeleteData__SWIG_0, 2},
42249    {"R_swig_OBMolBondBFSIter_GetData__SWIG_0", (DL_FUNC) &R_swig_OBMolBondBFSIter_GetData__SWIG_0, 2},
42250    {"R_swig_new_OBMolBondIter__SWIG_0", (DL_FUNC) &R_swig_new_OBMolBondIter__SWIG_0, 0},
42251    {"R_swig_OBMolBondIter_inc__SWIG_0", (DL_FUNC) &R_swig_OBMolBondIter_inc__SWIG_0, 2},
42252    {"R_swig_OBMolBondIter_SetLength__SWIG_0", (DL_FUNC) &R_swig_OBMolBondIter_SetLength__SWIG_0, 3},
42253    {"R_swig_OBMolBondIter_SetInRing__SWIG_0", (DL_FUNC) &R_swig_OBMolBondIter_SetInRing__SWIG_0, 2},
42254    {"R_swig_OBMolBondIter_GetTitle__SWIG_0", (DL_FUNC) &R_swig_OBMolBondIter_GetTitle__SWIG_0, 2},
42255    {"R_swig_OBMolBondIter_HasData__SWIG_0", (DL_FUNC) &R_swig_OBMolBondIter_HasData__SWIG_0, 3},
42256    {"R_swig_OBMolBondIter_DeleteData__SWIG_0", (DL_FUNC) &R_swig_OBMolBondIter_DeleteData__SWIG_0, 2},
42257    {"R_swig_OBMolBondIter_GetData__SWIG_0", (DL_FUNC) &R_swig_OBMolBondIter_GetData__SWIG_0, 2},
42258    {"R_swig_new_OBAtomAtomIter__SWIG_0", (DL_FUNC) &R_swig_new_OBAtomAtomIter__SWIG_0, 0},
42259    {"R_swig_OBAtomAtomIter_inc__SWIG_0", (DL_FUNC) &R_swig_OBAtomAtomIter_inc__SWIG_0, 2},
42260    {"R_swig_OBAtomAtomIter_SetVector__SWIG_0", (DL_FUNC) &R_swig_OBAtomAtomIter_SetVector__SWIG_0, 2},
42261    {"R_swig_OBAtomAtomIter_GetResidue__SWIG_0", (DL_FUNC) &R_swig_OBAtomAtomIter_GetResidue__SWIG_0, 1},
42262    {"R_swig_OBAtomAtomIter_GetDistance__SWIG_0", (DL_FUNC) &R_swig_OBAtomAtomIter_GetDistance__SWIG_0, 3},
42263    {"R_swig_OBAtomAtomIter_GetAngle__SWIG_0", (DL_FUNC) &R_swig_OBAtomAtomIter_GetAngle__SWIG_0, 4},
42264    {"R_swig_OBAtomAtomIter_HasAlphaBetaUnsat__SWIG_0", (DL_FUNC) &R_swig_OBAtomAtomIter_HasAlphaBetaUnsat__SWIG_0, 3},
42265    {"R_swig_OBAtomAtomIter_GetTitle__SWIG_0", (DL_FUNC) &R_swig_OBAtomAtomIter_GetTitle__SWIG_0, 2},
42266    {"R_swig_OBAtomAtomIter_HasData__SWIG_0", (DL_FUNC) &R_swig_OBAtomAtomIter_HasData__SWIG_0, 3},
42267    {"R_swig_OBAtomAtomIter_DeleteData__SWIG_0", (DL_FUNC) &R_swig_OBAtomAtomIter_DeleteData__SWIG_0, 2},
42268    {"R_swig_OBAtomAtomIter_GetData__SWIG_0", (DL_FUNC) &R_swig_OBAtomAtomIter_GetData__SWIG_0, 2},
42269    {"R_swig_new_OBAtomBondIter__SWIG_0", (DL_FUNC) &R_swig_new_OBAtomBondIter__SWIG_0, 0},
42270    {"R_swig_OBAtomBondIter_inc__SWIG_0", (DL_FUNC) &R_swig_OBAtomBondIter_inc__SWIG_0, 2},
42271    {"R_swig_OBAtomBondIter_SetLength__SWIG_0", (DL_FUNC) &R_swig_OBAtomBondIter_SetLength__SWIG_0, 3},
42272    {"R_swig_OBAtomBondIter_SetInRing__SWIG_0", (DL_FUNC) &R_swig_OBAtomBondIter_SetInRing__SWIG_0, 2},
42273    {"R_swig_OBAtomBondIter_GetTitle__SWIG_0", (DL_FUNC) &R_swig_OBAtomBondIter_GetTitle__SWIG_0, 2},
42274    {"R_swig_OBAtomBondIter_HasData__SWIG_0", (DL_FUNC) &R_swig_OBAtomBondIter_HasData__SWIG_0, 3},
42275    {"R_swig_OBAtomBondIter_DeleteData__SWIG_0", (DL_FUNC) &R_swig_OBAtomBondIter_DeleteData__SWIG_0, 2},
42276    {"R_swig_OBAtomBondIter_GetData__SWIG_0", (DL_FUNC) &R_swig_OBAtomBondIter_GetData__SWIG_0, 2},
42277    {"R_swig_new_OBResidueIter__SWIG_0", (DL_FUNC) &R_swig_new_OBResidueIter__SWIG_0, 0},
42278    {"R_swig_OBResidueIter_inc__SWIG_0", (DL_FUNC) &R_swig_OBResidueIter_inc__SWIG_0, 2},
42279    {"R_swig_OBResidueIter_SetNum__SWIG_0", (DL_FUNC) &R_swig_OBResidueIter_SetNum__SWIG_0, 2},
42280    {"R_swig_OBResidueIter_GetBonds__SWIG_0", (DL_FUNC) &R_swig_OBResidueIter_GetBonds__SWIG_0, 3},
42281    {"R_swig_OBResidueIter_GetTitle__SWIG_0", (DL_FUNC) &R_swig_OBResidueIter_GetTitle__SWIG_0, 2},
42282    {"R_swig_OBResidueIter_HasData__SWIG_0", (DL_FUNC) &R_swig_OBResidueIter_HasData__SWIG_0, 3},
42283    {"R_swig_OBResidueIter_DeleteData__SWIG_0", (DL_FUNC) &R_swig_OBResidueIter_DeleteData__SWIG_0, 2},
42284    {"R_swig_OBResidueIter_GetData__SWIG_0", (DL_FUNC) &R_swig_OBResidueIter_GetData__SWIG_0, 2},
42285    {"R_swig_new_OBResidueAtomIter__SWIG_0", (DL_FUNC) &R_swig_new_OBResidueAtomIter__SWIG_0, 0},
42286    {"R_swig_OBResidueAtomIter_inc__SWIG_0", (DL_FUNC) &R_swig_OBResidueAtomIter_inc__SWIG_0, 2},
42287    {"R_swig_OBResidueAtomIter_SetVector__SWIG_0", (DL_FUNC) &R_swig_OBResidueAtomIter_SetVector__SWIG_0, 2},
42288    {"R_swig_OBResidueAtomIter_GetResidue__SWIG_0", (DL_FUNC) &R_swig_OBResidueAtomIter_GetResidue__SWIG_0, 1},
42289    {"R_swig_OBResidueAtomIter_GetDistance__SWIG_0", (DL_FUNC) &R_swig_OBResidueAtomIter_GetDistance__SWIG_0, 3},
42290    {"R_swig_OBResidueAtomIter_GetAngle__SWIG_0", (DL_FUNC) &R_swig_OBResidueAtomIter_GetAngle__SWIG_0, 4},
42291    {"R_swig_OBResidueAtomIter_HasAlphaBetaUnsat__SWIG_0", (DL_FUNC) &R_swig_OBResidueAtomIter_HasAlphaBetaUnsat__SWIG_0, 3},
42292    {"R_swig_OBResidueAtomIter_GetTitle__SWIG_0", (DL_FUNC) &R_swig_OBResidueAtomIter_GetTitle__SWIG_0, 2},
42293    {"R_swig_OBResidueAtomIter_HasData__SWIG_0", (DL_FUNC) &R_swig_OBResidueAtomIter_HasData__SWIG_0, 3},
42294    {"R_swig_OBResidueAtomIter_DeleteData__SWIG_0", (DL_FUNC) &R_swig_OBResidueAtomIter_DeleteData__SWIG_0, 2},
42295    {"R_swig_OBResidueAtomIter_GetData__SWIG_0", (DL_FUNC) &R_swig_OBResidueAtomIter_GetData__SWIG_0, 2},
42296    {"R_swig_new_OBMolAngleIter__SWIG_0", (DL_FUNC) &R_swig_new_OBMolAngleIter__SWIG_0, 0},
42297    {"R_swig_new_OBMolTorsionIter__SWIG_0", (DL_FUNC) &R_swig_new_OBMolTorsionIter__SWIG_0, 0},
42298    {"R_swig_new_OBMolPairIter__SWIG_0", (DL_FUNC) &R_swig_new_OBMolPairIter__SWIG_0, 0},
42299    {"R_swig_new_OBMolRingIter__SWIG_0", (DL_FUNC) &R_swig_new_OBMolRingIter__SWIG_0, 0},
42300    {"R_swig_OBMolRingIter_inc__SWIG_0", (DL_FUNC) &R_swig_OBMolRingIter_inc__SWIG_0, 2},
42301    {"R_swig_OBMolRingIter_SetType__SWIG_0", (DL_FUNC) &R_swig_OBMolRingIter_SetType__SWIG_0, 2},
42302    {"R_swig_OBMolRingIter_IsMember__SWIG_0", (DL_FUNC) &R_swig_OBMolRingIter_IsMember__SWIG_0, 3},
42303    {"R_swig_OBTetrahedralStereo_GetConfig__SWIG_0", (DL_FUNC) &R_swig_OBTetrahedralStereo_GetConfig__SWIG_0, 4},
42304    {"R_swig_OBCisTransStereo_GetConfig__SWIG_0", (DL_FUNC) &R_swig_OBCisTransStereo_GetConfig__SWIG_0, 3},
42305    {"R_swig_OBSquarePlanarStereo_GetConfig__SWIG_0", (DL_FUNC) &R_swig_OBSquarePlanarStereo_GetConfig__SWIG_0, 3},
42306    {"R_swig_OBMolAtomDFSIter_HasAlphaBetaUnsat__SWIG_1", (DL_FUNC) &R_swig_OBMolAtomDFSIter_HasAlphaBetaUnsat__SWIG_1, 2},
42307    {"R_swig_OBMolAtomDFSIter_GetAngle__SWIG_1", (DL_FUNC) &R_swig_OBMolAtomDFSIter_GetAngle__SWIG_1, 4},
42308    {"R_swig_OBMolAtomDFSIter_GetDistance__SWIG_1", (DL_FUNC) &R_swig_OBMolAtomDFSIter_GetDistance__SWIG_1, 3},
42309    {"R_swig_OBMolAtomDFSIter_GetResidue__SWIG_1", (DL_FUNC) &R_swig_OBMolAtomDFSIter_GetResidue__SWIG_1, 2},
42310    {"R_swig_OBMolAtomDFSIter_SetVector__SWIG_1", (DL_FUNC) &R_swig_OBMolAtomDFSIter_SetVector__SWIG_1, 4},
42311    {"R_swig_OBMolAtomDFSIter_inc__SWIG_1", (DL_FUNC) &R_swig_OBMolAtomDFSIter_inc__SWIG_1, 3},
42312    {"R_swig_new_OBMolAtomDFSIter__SWIG_1", (DL_FUNC) &R_swig_new_OBMolAtomDFSIter__SWIG_1, 2},
42313    {"R_swig_OBMolAtomIter_GetData__SWIG_1", (DL_FUNC) &R_swig_OBMolAtomIter_GetData__SWIG_1, 2},
42314    {"R_swig_OBMolAtomIter_DeleteData__SWIG_1", (DL_FUNC) &R_swig_OBMolAtomIter_DeleteData__SWIG_1, 2},
42315    {"R_swig_OBMolAtomIter_HasData__SWIG_1", (DL_FUNC) &R_swig_OBMolAtomIter_HasData__SWIG_1, 3},
42316    {"R_swig_OBMolAtomIter_GetTitle__SWIG_1", (DL_FUNC) &R_swig_OBMolAtomIter_GetTitle__SWIG_1, 1},
42317    {"R_swig_OBMolAtomIter_HasAlphaBetaUnsat__SWIG_1", (DL_FUNC) &R_swig_OBMolAtomIter_HasAlphaBetaUnsat__SWIG_1, 2},
42318    {"R_swig_OBMolAtomIter_ExplicitHydrogenCount__SWIG_1", (DL_FUNC) &R_swig_OBMolAtomIter_ExplicitHydrogenCount__SWIG_1, 2},
42319    {"R_swig_OBMolAtomIter_GetAngle__SWIG_1", (DL_FUNC) &R_swig_OBMolAtomIter_GetAngle__SWIG_1, 4},
42320    {"R_swig_OBMolAtomIter_GetDistance__SWIG_1", (DL_FUNC) &R_swig_OBMolAtomIter_GetDistance__SWIG_1, 3},
42321    {"R_swig_OBMolAtomIter_GetResidue__SWIG_1", (DL_FUNC) &R_swig_OBMolAtomIter_GetResidue__SWIG_1, 2},
42322    {"R_swig_OBMolAtomIter_SetVector__SWIG_1", (DL_FUNC) &R_swig_OBMolAtomIter_SetVector__SWIG_1, 4},
42323    {"R_swig_OBMolAtomIter_inc__SWIG_1", (DL_FUNC) &R_swig_OBMolAtomIter_inc__SWIG_1, 3},
42324    {"R_swig_new_OBMolAtomIter__SWIG_1", (DL_FUNC) &R_swig_new_OBMolAtomIter__SWIG_1, 1},
42325    {"R_swig_new_OBAlign__SWIG_1", (DL_FUNC) &R_swig_new_OBAlign__SWIG_1, 1},
42326    {"R_swig_OBConformerSearch_SetLocalOptRate__SWIG_1", (DL_FUNC) &R_swig_OBConformerSearch_SetLocalOptRate__SWIG_1, 2},
42327    {"R_swig_OBConformerSearch_SetSharing__SWIG_1", (DL_FUNC) &R_swig_OBConformerSearch_SetSharing__SWIG_1, 1},
42328    {"R_swig_OBConformerSearch_Setup__SWIG_1", (DL_FUNC) &R_swig_OBConformerSearch_Setup__SWIG_1, 6},
42329    {"R_swig_new_OBStericConformerFilter__SWIG_1", (DL_FUNC) &R_swig_new_OBStericConformerFilter__SWIG_1, 3},
42330    {"R_swig_OBForceField_VectorOOPDerivative__SWIG_1", (DL_FUNC) &R_swig_OBForceField_VectorOOPDerivative__SWIG_1, 5},
42331    {"R_swig_OBForceField_VectorAngleDerivative__SWIG_1", (DL_FUNC) &R_swig_OBForceField_VectorAngleDerivative__SWIG_1, 4},
42332    {"R_swig_OBForceField_IgnoreCalculation__SWIG_1", (DL_FUNC) &R_swig_OBForceField_IgnoreCalculation__SWIG_1, 4},
42333    {"R_swig_OBForceField_ConjugateGradients__SWIG_1", (DL_FUNC) &R_swig_OBForceField_ConjugateGradients__SWIG_1, 3},
42334    {"R_swig_OBForceField_SteepestDescent__SWIG_1", (DL_FUNC) &R_swig_OBForceField_SteepestDescent__SWIG_1, 3},
42335    {"R_swig_OBForceField_LineSearch__SWIG_1", (DL_FUNC) &R_swig_OBForceField_LineSearch__SWIG_1, 4},
42336    {"R_swig_OBForceField_DiverseConfGen__SWIG_1", (DL_FUNC) &R_swig_OBForceField_DiverseConfGen__SWIG_1, 5},
42337    {"R_swig_OBForceField_FastRotorSearch__SWIG_1", (DL_FUNC) &R_swig_OBForceField_FastRotorSearch__SWIG_1, 2},
42338    {"R_swig_OBForceField_RandomRotorSearch__SWIG_1", (DL_FUNC) &R_swig_OBForceField_RandomRotorSearch__SWIG_1, 2},
42339    {"R_swig_OBForceField_SystematicRotorSearch__SWIG_1", (DL_FUNC) &R_swig_OBForceField_SystematicRotorSearch__SWIG_1, 1},
42340    {"R_swig_OBForceField_OBFFLog__SWIG_1", (DL_FUNC) &R_swig_OBForceField_OBFFLog__SWIG_1, 2},
42341    {"R_swig_OBForceField_E_Electrostatic__SWIG_1", (DL_FUNC) &R_swig_OBForceField_E_Electrostatic__SWIG_1, 2},
42342    {"R_swig_OBForceField_E_VDW__SWIG_1", (DL_FUNC) &R_swig_OBForceField_E_VDW__SWIG_1, 2},
42343    {"R_swig_OBForceField_E_OOP__SWIG_1", (DL_FUNC) &R_swig_OBForceField_E_OOP__SWIG_1, 2},
42344    {"R_swig_OBForceField_E_Torsion__SWIG_1", (DL_FUNC) &R_swig_OBForceField_E_Torsion__SWIG_1, 2},
42345    {"R_swig_OBForceField_E_StrBnd__SWIG_1", (DL_FUNC) &R_swig_OBForceField_E_StrBnd__SWIG_1, 2},
42346    {"R_swig_OBForceField_E_Angle__SWIG_1", (DL_FUNC) &R_swig_OBForceField_E_Angle__SWIG_1, 2},
42347    {"R_swig_OBForceField_E_Bond__SWIG_1", (DL_FUNC) &R_swig_OBForceField_E_Bond__SWIG_1, 2},
42348    {"R_swig_OBForceField_Energy__SWIG_1", (DL_FUNC) &R_swig_OBForceField_Energy__SWIG_1, 2},
42349    {"R_swig_OBForceField_Setup__SWIG_1", (DL_FUNC) &R_swig_OBForceField_Setup__SWIG_1, 4},
42350    {"R_swig_OBForceField_FindForceField__SWIG_1", (DL_FUNC) &R_swig_OBForceField_FindForceField__SWIG_1, 1},
42351    {"R_swig_OBSpectrophore_SetNormalization__SWIG_1", (DL_FUNC) &R_swig_OBSpectrophore_SetNormalization__SWIG_1, 1},
42352    {"R_swig_OBSpectrophore_SetStereo__SWIG_1", (DL_FUNC) &R_swig_OBSpectrophore_SetStereo__SWIG_1, 1},
42353    {"R_swig_OBSpectrophore_SetAccuracy__SWIG_1", (DL_FUNC) &R_swig_OBSpectrophore_SetAccuracy__SWIG_1, 1},
42354    {"R_swig_OBSpectrophore_SetResolution__SWIG_1", (DL_FUNC) &R_swig_OBSpectrophore_SetResolution__SWIG_1, 1},
42355    {"R_swig_new_OBSpectrophore__SWIG_1", (DL_FUNC) &R_swig_new_OBSpectrophore__SWIG_1, 1},
42356    {"R_swig_OBRotamerList_SetBaseCoordinateSets__SWIG_1", (DL_FUNC) &R_swig_OBRotamerList_SetBaseCoordinateSets__SWIG_1, 3},
42357    {"R_swig_OBRotamerList_AddRotamer__SWIG_1", (DL_FUNC) &R_swig_OBRotamerList_AddRotamer__SWIG_1, 2},
42358    {"R_swig_OBRotamerList_Setup__SWIG_1", (DL_FUNC) &R_swig_OBRotamerList_Setup__SWIG_1, 4},
42359    {"R_swig_new_rotor_digit__SWIG_1", (DL_FUNC) &R_swig_new_rotor_digit__SWIG_1, 0},
42360    {"R_swig_OBRotor_GetDihedralAtoms__SWIG_1", (DL_FUNC) &R_swig_OBRotor_GetDihedralAtoms__SWIG_1, 2},
42361    {"R_swig_OBRotor_Set__SWIG_1", (DL_FUNC) &R_swig_OBRotor_Set__SWIG_1, 3},
42362    {"R_swig_OBRotor_SetRotor__SWIG_1", (DL_FUNC) &R_swig_OBRotor_SetRotor__SWIG_1, 3},
42363    {"R_swig_OBRotor_SetDihedralAtoms__SWIG_1", (DL_FUNC) &R_swig_OBRotor_SetDihedralAtoms__SWIG_1, 2},
42364    {"R_swig_OBBitVec_FirstBit__SWIG_1", (DL_FUNC) &R_swig_OBBitVec_FirstBit__SWIG_1, 2},
42365    {"R_swig_new_OBBitVec__SWIG_1", (DL_FUNC) &R_swig_new_OBBitVec__SWIG_1, 1},
42366    {"R_swig_FindStereogenicUnits__SWIG_1", (DL_FUNC) &R_swig_FindStereogenicUnits__SWIG_1, 4},
42367    {"R_swig_CisTransFrom0D__SWIG_1", (DL_FUNC) &R_swig_CisTransFrom0D__SWIG_1, 3},
42368    {"R_swig_CisTransFrom2D__SWIG_1", (DL_FUNC) &R_swig_CisTransFrom2D__SWIG_1, 4},
42369    {"R_swig_CisTransFrom3D__SWIG_1", (DL_FUNC) &R_swig_CisTransFrom3D__SWIG_1, 3},
42370    {"R_swig_TetrahedralFrom0D__SWIG_1", (DL_FUNC) &R_swig_TetrahedralFrom0D__SWIG_1, 3},
42371    {"R_swig_TetrahedralFrom2D__SWIG_1", (DL_FUNC) &R_swig_TetrahedralFrom2D__SWIG_1, 3},
42372    {"R_swig_TetrahedralFrom3D__SWIG_1", (DL_FUNC) &R_swig_TetrahedralFrom3D__SWIG_1, 3},
42373    {"R_swig_StereoFrom3D__SWIG_1", (DL_FUNC) &R_swig_StereoFrom3D__SWIG_1, 1},
42374    {"R_swig_StereoFrom2D__SWIG_1", (DL_FUNC) &R_swig_StereoFrom2D__SWIG_1, 2},
42375    {"R_swig_PerceiveStereo__SWIG_1", (DL_FUNC) &R_swig_PerceiveStereo__SWIG_1, 1},
42376    {"R_swig_new_OBStereoFacade__SWIG_1", (DL_FUNC) &R_swig_new_OBStereoFacade__SWIG_1, 1},
42377    {"R_swig_new_OBStereoUnit__SWIG_1", (DL_FUNC) &R_swig_new_OBStereoUnit__SWIG_1, 3},
42378    {"R_swig_OBStereo_MakeRefs__SWIG_1", (DL_FUNC) &R_swig_OBStereo_MakeRefs__SWIG_1, 4},
42379    {"R_swig_CanonicalLabels__SWIG_1", (DL_FUNC) &R_swig_CanonicalLabels__SWIG_1, 5},
42380    {"R_swig_CompileSmilesQuery__SWIG_1", (DL_FUNC) &R_swig_CompileSmilesQuery__SWIG_1, 1},
42381    {"R_swig_CompileMoleculeQuery__SWIG_1", (DL_FUNC) &R_swig_CompileMoleculeQuery__SWIG_1, 1},
42382    {"R_swig_new_OBQueryBond__SWIG_1", (DL_FUNC) &R_swig_new_OBQueryBond__SWIG_1, 3},
42383    {"R_swig_new_OBQueryAtom__SWIG_1", (DL_FUNC) &R_swig_new_OBQueryAtom__SWIG_1, 2},
42384    {"R_swig_FindAutomorphisms__SWIG_1", (DL_FUNC) &R_swig_FindAutomorphisms__SWIG_1, 5},
42385    {"R_swig_OBIsomorphismMapper_MapGeneric__SWIG_1", (DL_FUNC) &R_swig_OBIsomorphismMapper_MapGeneric__SWIG_1, 3},
42386    {"R_swig_OBIsomorphismMapper_MapAll__SWIG_1", (DL_FUNC) &R_swig_OBIsomorphismMapper_MapAll__SWIG_1, 4},
42387    {"R_swig_OBIsomorphismMapper_MapUnique__SWIG_1", (DL_FUNC) &R_swig_OBIsomorphismMapper_MapUnique__SWIG_1, 3},
42388    {"R_swig_OBIsomorphismMapper_MapFirst__SWIG_1", (DL_FUNC) &R_swig_OBIsomorphismMapper_MapFirst__SWIG_1, 3},
42389    {"R_swig_OBIsomorphismMapper_GetInstance__SWIG_1", (DL_FUNC) &R_swig_OBIsomorphismMapper_GetInstance__SWIG_1, 1},
42390    {"R_swig_new_OBGraphSym__SWIG_1", (DL_FUNC) &R_swig_new_OBGraphSym__SWIG_1, 1},
42391    {"R_swig_new_OBChargeModel__SWIG_1", (DL_FUNC) &R_swig_new_OBChargeModel__SWIG_1, 1},
42392    {"R_swig_OBOp_Do__SWIG_1", (DL_FUNC) &R_swig_OBOp_Do__SWIG_1, 5},
42393    {"R_swig_OBBuilder_Connect__SWIG_1", (DL_FUNC) &R_swig_OBBuilder_Connect__SWIG_1, 5},
42394    {"R_swig_OBBuilder_GetNewBondVector__SWIG_1", (DL_FUNC) &R_swig_OBBuilder_GetNewBondVector__SWIG_1, 3},
42395    {"R_swig_OBDescriptor_Order__SWIG_1", (DL_FUNC) &R_swig_OBDescriptor_Order__SWIG_1, 4},
42396    {"R_swig_OBDescriptor_Display__SWIG_1", (DL_FUNC) &R_swig_OBDescriptor_Display__SWIG_1, 4},
42397    {"R_swig_OBDescriptor_Compare__SWIG_1", (DL_FUNC) &R_swig_OBDescriptor_Compare__SWIG_1, 5},
42398    {"R_swig_OBDescriptor_GetStringValue__SWIG_1", (DL_FUNC) &R_swig_OBDescriptor_GetStringValue__SWIG_1, 4},
42399    {"R_swig_OBDescriptor_PredictAndSave__SWIG_1", (DL_FUNC) &R_swig_OBDescriptor_PredictAndSave__SWIG_1, 3},
42400    {"R_swig_OBDescriptor_Predict__SWIG_1", (DL_FUNC) &R_swig_OBDescriptor_Predict__SWIG_1, 3},
42401    {"R_swig_new_OBDescriptor__SWIG_1", (DL_FUNC) &R_swig_new_OBDescriptor__SWIG_1, 1},
42402    {"R_swig_new_FastSearchIndexer__SWIG_1", (DL_FUNC) &R_swig_new_FastSearchIndexer__SWIG_1, 4},
42403    {"R_swig_FastSearch_FindSimilar__SWIG_1", (DL_FUNC) &R_swig_FastSearch_FindSimilar__SWIG_1, 5},
42404    {"R_swig_OBFingerprint_Tanimoto__SWIG_1", (DL_FUNC) &R_swig_OBFingerprint_Tanimoto__SWIG_1, 3},
42405    {"R_swig_OBFingerprint_DescribeBits__SWIG_1", (DL_FUNC) &R_swig_OBFingerprint_DescribeBits__SWIG_1, 3},
42406    {"R_swig_OBFingerprint_GetFingerprint__SWIG_1", (DL_FUNC) &R_swig_OBFingerprint_GetFingerprint__SWIG_1, 4},
42407    {"R_swig_AliasData_GetAlias__SWIG_1", (DL_FUNC) &R_swig_AliasData_GetAlias__SWIG_1, 2},
42408    {"R_swig_AliasData_SetAlias__SWIG_1", (DL_FUNC) &R_swig_AliasData_SetAlias__SWIG_1, 2},
42409    {"R_swig_OBSSMatch_Match__SWIG_1", (DL_FUNC) &R_swig_OBSSMatch_Match__SWIG_1, 2},
42410    {"R_swig_OBSmartsMatcher_match__SWIG_1", (DL_FUNC) &R_swig_OBSmartsMatcher_match__SWIG_1, 5},
42411    {"R_swig_OBSmartsPattern_RestrictedMatch__SWIG_1", (DL_FUNC) &R_swig_OBSmartsPattern_RestrictedMatch__SWIG_1, 4},
42412    {"R_swig_OBSmartsPattern_Match__SWIG_1", (DL_FUNC) &R_swig_OBSmartsPattern_Match__SWIG_1, 3},
42413    {"R_swig_OBSmartsPattern_Init__SWIG_1", (DL_FUNC) &R_swig_OBSmartsPattern_Init__SWIG_1, 3},
42414    {"R_swig_new_OBSmartsPattern__SWIG_1", (DL_FUNC) &R_swig_new_OBSmartsPattern__SWIG_1, 1},
42415    {"R_swig_OBRing_IsMember__SWIG_1", (DL_FUNC) &R_swig_OBRing_IsMember__SWIG_1, 3},
42416    {"R_swig_OBRing_SetType__SWIG_1", (DL_FUNC) &R_swig_OBRing_SetType__SWIG_1, 2},
42417    {"R_swig_new_OBRing__SWIG_1", (DL_FUNC) &R_swig_new_OBRing__SWIG_1, 2},
42418    {"R_swig_ThrowError__SWIG_1", (DL_FUNC) &R_swig_ThrowError__SWIG_1, 1},
42419    {"R_swig_OBMol_GetEnergy__SWIG_1", (DL_FUNC) &R_swig_OBMol_GetEnergy__SWIG_1, 3},
42420    {"R_swig_OBMol_Has2D__SWIG_1", (DL_FUNC) &R_swig_OBMol_Has2D__SWIG_1, 2},
42421    {"R_swig_OBMol_FindChildren__SWIG_1", (DL_FUNC) &R_swig_OBMol_FindChildren__SWIG_1, 4},
42422    {"R_swig_OBMol_Center__SWIG_1", (DL_FUNC) &R_swig_OBMol_Center__SWIG_1, 3},
42423    {"R_swig_OBMol_AssignSpinMultiplicity__SWIG_1", (DL_FUNC) &R_swig_OBMol_AssignSpinMultiplicity__SWIG_1, 2},
42424    {"R_swig_OBMol_CorrectForPH__SWIG_1", (DL_FUNC) &R_swig_OBMol_CorrectForPH__SWIG_1, 2},
42425    {"R_swig_OBMol_Separate__SWIG_1", (DL_FUNC) &R_swig_OBMol_Separate__SWIG_1, 2},
42426    {"R_swig_OBMol_StripSalts__SWIG_1", (DL_FUNC) &R_swig_OBMol_StripSalts__SWIG_1, 2},
42427    {"R_swig_OBMol_AddNewHydrogens__SWIG_1", (DL_FUNC) &R_swig_OBMol_AddNewHydrogens__SWIG_1, 4},
42428    {"R_swig_OBMol_AddHydrogens__SWIG_1", (DL_FUNC) &R_swig_OBMol_AddHydrogens__SWIG_1, 4},
42429    {"R_swig_OBMol_DeleteHydrogens__SWIG_1", (DL_FUNC) &R_swig_OBMol_DeleteHydrogens__SWIG_1, 3},
42430    {"R_swig_OBMol_Rotate__SWIG_1", (DL_FUNC) &R_swig_OBMol_Rotate__SWIG_1, 2},
42431    {"R_swig_OBMol_Translate__SWIG_1", (DL_FUNC) &R_swig_OBMol_Translate__SWIG_1, 3},
42432    {"R_swig_OBMol_ToInertialFrame__SWIG_1", (DL_FUNC) &R_swig_OBMol_ToInertialFrame__SWIG_1, 1},
42433    {"R_swig_OBMol_RenumberAtoms__SWIG_1", (DL_FUNC) &R_swig_OBMol_RenumberAtoms__SWIG_1, 2},
42434    {"R_swig_OBMol_SetTitle__SWIG_1", (DL_FUNC) &R_swig_OBMol_SetTitle__SWIG_1, 2},
42435    {"R_swig_OBMol_GetExactMass__SWIG_1", (DL_FUNC) &R_swig_OBMol_GetExactMass__SWIG_1, 2},
42436    {"R_swig_OBMol_GetMolWt__SWIG_1", (DL_FUNC) &R_swig_OBMol_GetMolWt__SWIG_1, 2},
42437    {"R_swig_OBMol_GetSpacedFormula__SWIG_1", (DL_FUNC) &R_swig_OBMol_GetSpacedFormula__SWIG_1, 4},
42438    {"R_swig_OBMol_GetTorsion__SWIG_1", (DL_FUNC) &R_swig_OBMol_GetTorsion__SWIG_1, 6},
42439    {"R_swig_OBMol_GetBond__SWIG_1", (DL_FUNC) &R_swig_OBMol_GetBond__SWIG_1, 3},
42440    {"R_swig_OBMol_GetTitle__SWIG_1", (DL_FUNC) &R_swig_OBMol_GetTitle__SWIG_1, 1},
42441    {"R_swig_OBTorsion_AddTorsion__SWIG_1", (DL_FUNC) &R_swig_OBTorsion_AddTorsion__SWIG_1, 3},
42442    {"R_swig_OBSymmetryData_SetData__SWIG_1", (DL_FUNC) &R_swig_OBSymmetryData_SetData__SWIG_1, 2},
42443    {"R_swig_new_OBSymmetryData__SWIG_1", (DL_FUNC) &R_swig_new_OBSymmetryData__SWIG_1, 1},
42444    {"R_swig_new_OBConformerData__SWIG_1", (DL_FUNC) &R_swig_new_OBConformerData__SWIG_1, 1},
42445    {"R_swig_OBUnitCell_GetCellVolume__SWIG_1", (DL_FUNC) &R_swig_OBUnitCell_GetCellVolume__SWIG_1, 2},
42446    {"R_swig_OBUnitCell_GetSpaceGroupNumber__SWIG_1", (DL_FUNC) &R_swig_OBUnitCell_GetSpaceGroupNumber__SWIG_1, 2},
42447    {"R_swig_OBUnitCell_WrapFractionalCoordinate__SWIG_1", (DL_FUNC) &R_swig_OBUnitCell_WrapFractionalCoordinate__SWIG_1, 3},
42448    {"R_swig_OBUnitCell_WrapCartesianCoordinate__SWIG_1", (DL_FUNC) &R_swig_OBUnitCell_WrapCartesianCoordinate__SWIG_1, 3},
42449    {"R_swig_OBUnitCell_CartesianToFractional__SWIG_1", (DL_FUNC) &R_swig_OBUnitCell_CartesianToFractional__SWIG_1, 3},
42450    {"R_swig_OBUnitCell_FractionalToCartesian__SWIG_1", (DL_FUNC) &R_swig_OBUnitCell_FractionalToCartesian__SWIG_1, 3},
42451    {"R_swig_OBUnitCell_GetFractionalMatrix__SWIG_1", (DL_FUNC) &R_swig_OBUnitCell_GetFractionalMatrix__SWIG_1, 2},
42452    {"R_swig_OBUnitCell_GetOrientationMatrix__SWIG_1", (DL_FUNC) &R_swig_OBUnitCell_GetOrientationMatrix__SWIG_1, 2},
42453    {"R_swig_OBUnitCell_GetOrthoMatrix__SWIG_1", (DL_FUNC) &R_swig_OBUnitCell_GetOrthoMatrix__SWIG_1, 2},
42454    {"R_swig_OBUnitCell_GetCellMatrix__SWIG_1", (DL_FUNC) &R_swig_OBUnitCell_GetCellMatrix__SWIG_1, 2},
42455    {"R_swig_OBUnitCell_GetCellVectors__SWIG_1", (DL_FUNC) &R_swig_OBUnitCell_GetCellVectors__SWIG_1, 2},
42456    {"R_swig_OBUnitCell_GetLatticeType__SWIG_1", (DL_FUNC) &R_swig_OBUnitCell_GetLatticeType__SWIG_1, 3},
42457    {"R_swig_OBUnitCell_GetSpaceGroupName__SWIG_1", (DL_FUNC) &R_swig_OBUnitCell_GetSpaceGroupName__SWIG_1, 2},
42458    {"R_swig_OBUnitCell_GetSpaceGroup__SWIG_1", (DL_FUNC) &R_swig_OBUnitCell_GetSpaceGroup__SWIG_1, 1},
42459    {"R_swig_OBUnitCell_GetOffset__SWIG_1", (DL_FUNC) &R_swig_OBUnitCell_GetOffset__SWIG_1, 2},
42460    {"R_swig_OBUnitCell_GetGamma__SWIG_1", (DL_FUNC) &R_swig_OBUnitCell_GetGamma__SWIG_1, 2},
42461    {"R_swig_OBUnitCell_GetBeta__SWIG_1", (DL_FUNC) &R_swig_OBUnitCell_GetBeta__SWIG_1, 2},
42462    {"R_swig_OBUnitCell_GetAlpha__SWIG_1", (DL_FUNC) &R_swig_OBUnitCell_GetAlpha__SWIG_1, 2},
42463    {"R_swig_OBUnitCell_GetC__SWIG_1", (DL_FUNC) &R_swig_OBUnitCell_GetC__SWIG_1, 2},
42464    {"R_swig_OBUnitCell_GetB__SWIG_1", (DL_FUNC) &R_swig_OBUnitCell_GetB__SWIG_1, 2},
42465    {"R_swig_OBUnitCell_GetA__SWIG_1", (DL_FUNC) &R_swig_OBUnitCell_GetA__SWIG_1, 2},
42466    {"R_swig_OBUnitCell_SetSpaceGroup__SWIG_1", (DL_FUNC) &R_swig_OBUnitCell_SetSpaceGroup__SWIG_1, 2},
42467    {"R_swig_OBUnitCell_SetData__SWIG_1", (DL_FUNC) &R_swig_OBUnitCell_SetData__SWIG_1, 4},
42468    {"R_swig_new_OBUnitCell__SWIG_1", (DL_FUNC) &R_swig_new_OBUnitCell__SWIG_1, 1},
42469    {"R_swig_new_OBRingData__SWIG_1", (DL_FUNC) &R_swig_new_OBRingData__SWIG_1, 1},
42470    {"R_swig_new_OBVirtualBond__SWIG_1", (DL_FUNC) &R_swig_new_OBVirtualBond__SWIG_1, 4},
42471    {"R_swig_OBSetData_GetData__SWIG_1", (DL_FUNC) &R_swig_OBSetData_GetData__SWIG_1, 2},
42472    {"R_swig_OBPairData_SetValue__SWIG_1", (DL_FUNC) &R_swig_OBPairData_SetValue__SWIG_1, 2},
42473    {"R_swig_new_OBExternalBond__SWIG_1", (DL_FUNC) &R_swig_new_OBExternalBond__SWIG_1, 3},
42474    {"R_swig_OBCommentData_SetData__SWIG_1", (DL_FUNC) &R_swig_OBCommentData_SetData__SWIG_1, 2},
42475    {"R_swig_new_OBCommentData__SWIG_1", (DL_FUNC) &R_swig_new_OBCommentData__SWIG_1, 1},
42476    {"R_swig_OBBase_GetData__SWIG_1", (DL_FUNC) &R_swig_OBBase_GetData__SWIG_1, 2},
42477    {"R_swig_OBBase_DeleteData__SWIG_1", (DL_FUNC) &R_swig_OBBase_DeleteData__SWIG_1, 2},
42478    {"R_swig_OBBase_HasData__SWIG_1", (DL_FUNC) &R_swig_OBBase_HasData__SWIG_1, 3},
42479    {"R_swig_OBBase_GetTitle__SWIG_1", (DL_FUNC) &R_swig_OBBase_GetTitle__SWIG_1, 1},
42480    {"R_swig_new_OBGenericData__SWIG_1", (DL_FUNC) &R_swig_new_OBGenericData__SWIG_1, 2},
42481    {"R_swig_SpaceGroup_GetSpaceGroup__SWIG_1", (DL_FUNC) &R_swig_SpaceGroup_GetSpaceGroup__SWIG_1, 1},
42482    {"R_swig_SpaceGroup_SetHallName__SWIG_1", (DL_FUNC) &R_swig_SpaceGroup_SetHallName__SWIG_1, 2},
42483    {"R_swig_SpaceGroup_SetHMName__SWIG_1", (DL_FUNC) &R_swig_SpaceGroup_SetHMName__SWIG_1, 2},
42484    {"R_swig_new_transform3d__SWIG_1", (DL_FUNC) &R_swig_new_transform3d__SWIG_1, 2},
42485    {"R_swig_Multiply__SWIG_1", (DL_FUNC) &R_swig_Multiply__SWIG_1, 3},
42486    {"R_swig_new_matrix3x3__SWIG_1", (DL_FUNC) &R_swig_new_matrix3x3__SWIG_1, 1},
42487    {"R_swig_vector3_z__SWIG_1", (DL_FUNC) &R_swig_vector3_z__SWIG_1, 2},
42488    {"R_swig_vector3_y__SWIG_1", (DL_FUNC) &R_swig_vector3_y__SWIG_1, 2},
42489    {"R_swig_vector3_x__SWIG_1", (DL_FUNC) &R_swig_vector3_x__SWIG_1, 2},
42490    {"R_swig_vector3_randomUnitVector__SWIG_1", (DL_FUNC) &R_swig_vector3_randomUnitVector__SWIG_1, 1},
42491    {"R_swig_vector3_Set__SWIG_1", (DL_FUNC) &R_swig_vector3_Set__SWIG_1, 2},
42492    {"R_swig_new_vector3__SWIG_1", (DL_FUNC) &R_swig_new_vector3__SWIG_1, 2},
42493    {"R_swig_new_OBSqrtTbl__SWIG_1", (DL_FUNC) &R_swig_new_OBSqrtTbl__SWIG_1, 2},
42494    {"R_swig_new_OBRandom__SWIG_1", (DL_FUNC) &R_swig_new_OBRandom__SWIG_1, 0},
42495    {"R_swig_OBResidueData_LookupBO__SWIG_1", (DL_FUNC) &R_swig_OBResidueData_LookupBO__SWIG_1, 4},
42496    {"R_swig_OBTypeTable_Translate__SWIG_1", (DL_FUNC) &R_swig_OBTypeTable_Translate__SWIG_1, 4},
42497    {"R_swig_OBIsotopeTable_GetExactMass__SWIG_1", (DL_FUNC) &R_swig_OBIsotopeTable_GetExactMass__SWIG_1, 3},
42498    {"R_swig_new_vectorOBResidue__SWIG_1", (DL_FUNC) &R_swig_new_vectorOBResidue__SWIG_1, 1},
42499    {"R_swig_new_vectorOBBond__SWIG_1", (DL_FUNC) &R_swig_new_vectorOBBond__SWIG_1, 1},
42500    {"R_swig_new_vectorOBMol__SWIG_1", (DL_FUNC) &R_swig_new_vectorOBMol__SWIG_1, 1},
42501    {"R_swig_new_vectorvVector3__SWIG_1", (DL_FUNC) &R_swig_new_vectorvVector3__SWIG_1, 1},
42502    {"R_swig_new_vectorVector3__SWIG_1", (DL_FUNC) &R_swig_new_vectorVector3__SWIG_1, 1},
42503    {"R_swig_new_vectorString__SWIG_1", (DL_FUNC) &R_swig_new_vectorString__SWIG_1, 1},
42504    {"R_swig_new_vectorInt__SWIG_1", (DL_FUNC) &R_swig_new_vectorInt__SWIG_1, 1},
42505    {"R_swig_new_vectorUnsignedInt__SWIG_1", (DL_FUNC) &R_swig_new_vectorUnsignedInt__SWIG_1, 1},
42506    {"R_swig_new_vectorvInt__SWIG_1", (DL_FUNC) &R_swig_new_vectorvInt__SWIG_1, 1},
42507    {"R_swig_new_vectorDouble__SWIG_1", (DL_FUNC) &R_swig_new_vectorDouble__SWIG_1, 1},
42508    {"R_swig_new_vectorOBRing__SWIG_1", (DL_FUNC) &R_swig_new_vectorOBRing__SWIG_1, 1},
42509    {"R_swig_new_vectorpOBRing__SWIG_1", (DL_FUNC) &R_swig_new_vectorpOBRing__SWIG_1, 1},
42510    {"R_swig_new_vectorpOBGenericData__SWIG_1", (DL_FUNC) &R_swig_new_vectorpOBGenericData__SWIG_1, 1},
42511    {"R_swig_new_vectorpOBInternalCoord__SWIG_1", (DL_FUNC) &R_swig_new_vectorpOBInternalCoord__SWIG_1, 1},
42512    {"R_swig_new_pairUIntUInt__SWIG_1", (DL_FUNC) &R_swig_new_pairUIntUInt__SWIG_1, 2},
42513    {"R_swig_new_vpairUIntUInt__SWIG_1", (DL_FUNC) &R_swig_new_vpairUIntUInt__SWIG_1, 1},
42514    {"R_swig_new_vvpairUIntUInt__SWIG_1", (DL_FUNC) &R_swig_new_vvpairUIntUInt__SWIG_1, 1},
42515    {"R_swig_vvpairUIntUInt_resize__SWIG_1", (DL_FUNC) &R_swig_vvpairUIntUInt_resize__SWIG_1, 3},
42516    {"R_swig_new_OBElement__SWIG_1", (DL_FUNC) &R_swig_new_OBElement__SWIG_1, 14},
42517    {"R_swig_OBElementTable_GetAtomicNum__SWIG_1", (DL_FUNC) &R_swig_OBElementTable_GetAtomicNum__SWIG_1, 4},
42518    {"R_swig_OBElementTable_CorrectedBondRad__SWIG_1", (DL_FUNC) &R_swig_OBElementTable_CorrectedBondRad__SWIG_1, 3},
42519    {"R_swig_OBElementTable_CorrectedVdwRad__SWIG_1", (DL_FUNC) &R_swig_OBElementTable_CorrectedVdwRad__SWIG_1, 3},
42520    {"R_swig_OBTorsion_SetAngle__SWIG_1", (DL_FUNC) &R_swig_OBTorsion_SetAngle__SWIG_1, 3},
42521    {"R_swig_OBTorsion_GetAngle__SWIG_1", (DL_FUNC) &R_swig_OBTorsion_GetAngle__SWIG_1, 3},
42522    {"R_swig_OBAngle_SetAtoms__SWIG_1", (DL_FUNC) &R_swig_OBAngle_SetAtoms__SWIG_1, 2},
42523    {"R_swig_OBAngleData_FillAngleArray__SWIG_1", (DL_FUNC) &R_swig_OBAngleData_FillAngleArray__SWIG_1, 3},
42524    {"R_swig_new_OBChiralData__SWIG_1", (DL_FUNC) &R_swig_new_OBChiralData__SWIG_1, 1},
42525    {"R_swig_new_OBSerialNums__SWIG_1", (DL_FUNC) &R_swig_new_OBSerialNums__SWIG_1, 1},
42526    {"R_swig_OBVibrationData_SetData__SWIG_1", (DL_FUNC) &R_swig_OBVibrationData_SetData__SWIG_1, 5},
42527    {"R_swig_OBOrbital_SetData__SWIG_1", (DL_FUNC) &R_swig_OBOrbital_SetData__SWIG_1, 3},
42528    {"R_swig_OBOrbitalData_SetHOMO__SWIG_1", (DL_FUNC) &R_swig_OBOrbitalData_SetHOMO__SWIG_1, 2},
42529    {"R_swig_OBVectorData_SetData__SWIG_1", (DL_FUNC) &R_swig_OBVectorData_SetData__SWIG_1, 2},
42530    {"R_swig_new_OBFreeGridPoint__SWIG_1", (DL_FUNC) &R_swig_new_OBFreeGridPoint__SWIG_1, 4},
42531    {"R_swig_OBGridData_GetAxes__SWIG_1", (DL_FUNC) &R_swig_OBGridData_GetAxes__SWIG_1, 4},
42532    {"R_swig_OBGridData_GetNumberOfPoints__SWIG_1", (DL_FUNC) &R_swig_OBGridData_GetNumberOfPoints__SWIG_1, 2},
42533    {"R_swig_OBGridData_GetValue__SWIG_1", (DL_FUNC) &R_swig_OBGridData_GetValue__SWIG_1, 3},
42534    {"R_swig_OBGridData_GetOriginVector__SWIG_1", (DL_FUNC) &R_swig_OBGridData_GetOriginVector__SWIG_1, 2},
42535    {"R_swig_OBGridData_SetLimits__SWIG_1", (DL_FUNC) &R_swig_OBGridData_SetLimits__SWIG_1, 5},
42536    {"R_swig_OBChainsParser_PerceiveChains__SWIG_1", (DL_FUNC) &R_swig_OBChainsParser_PerceiveChains__SWIG_1, 3},
42537    {"R_swig_OBAtomTyper_AssignImplicitValence__SWIG_1", (DL_FUNC) &R_swig_OBAtomTyper_AssignImplicitValence__SWIG_1, 2},
42538    {"R_swig_OBAromaticTyper_SelectRootAtoms__SWIG_1", (DL_FUNC) &R_swig_OBAromaticTyper_SelectRootAtoms__SWIG_1, 2},
42539    {"R_swig_OBPlugin_Display__SWIG_1", (DL_FUNC) &R_swig_OBPlugin_Display__SWIG_1, 4},
42540    {"R_swig_OBPlugin_List__SWIG_1", (DL_FUNC) &R_swig_OBPlugin_List__SWIG_1, 2},
42541    {"R_swig_OBPlugin_ListAsString__SWIG_1", (DL_FUNC) &R_swig_OBPlugin_ListAsString__SWIG_1, 2},
42542    {"R_swig_new_OBError__SWIG_1", (DL_FUNC) &R_swig_new_OBError__SWIG_1, 5},
42543    {"R_swig_OBMessageHandler_ThrowError__SWIG_1", (DL_FUNC) &R_swig_OBMessageHandler_ThrowError__SWIG_1, 2},
42544    {"R_swig_OBFormat_RegisterFormat__SWIG_1", (DL_FUNC) &R_swig_OBFormat_RegisterFormat__SWIG_1, 3},
42545    {"R_swig_OBFormat_Display__SWIG_1", (DL_FUNC) &R_swig_OBFormat_Display__SWIG_1, 4},
42546    {"R_swig_new_OBConversion__SWIG_1", (DL_FUNC) &R_swig_new_OBConversion__SWIG_1, 1},
42547    {"R_swig_OBConversion_RegisterFormat__SWIG_1", (DL_FUNC) &R_swig_OBConversion_RegisterFormat__SWIG_1, 3},
42548    {"R_swig_OBConversion_SetInAndOutFormats__SWIG_1", (DL_FUNC) &R_swig_OBConversion_SetInAndOutFormats__SWIG_1, 4},
42549    {"R_swig_OBConversion_SetInFormat__SWIG_1", (DL_FUNC) &R_swig_OBConversion_SetInFormat__SWIG_1, 3},
42550    {"R_swig_OBConversion_SetOutFormat__SWIG_1", (DL_FUNC) &R_swig_OBConversion_SetOutFormat__SWIG_1, 3},
42551    {"R_swig_OBConversion_IsOption__SWIG_1", (DL_FUNC) &R_swig_OBConversion_IsOption__SWIG_1, 2},
42552    {"R_swig_OBConversion_AddOption__SWIG_1", (DL_FUNC) &R_swig_OBConversion_AddOption__SWIG_1, 3},
42553    {"R_swig_OBConversion_RegisterOptionParam__SWIG_1", (DL_FUNC) &R_swig_OBConversion_RegisterOptionParam__SWIG_1, 3},
42554    {"R_swig_OBConversion_CopyOptions__SWIG_1", (DL_FUNC) &R_swig_OBConversion_CopyOptions__SWIG_1, 2},
42555    {"R_swig_OBConversion_Convert__SWIG_1", (DL_FUNC) &R_swig_OBConversion_Convert__SWIG_1, 2},
42556    {"R_swig_OBConversion_SetFirstInput__SWIG_1", (DL_FUNC) &R_swig_OBConversion_SetFirstInput__SWIG_1, 1},
42557    {"R_swig_OBConversion_SetOneObjectOnly__SWIG_1", (DL_FUNC) &R_swig_OBConversion_SetOneObjectOnly__SWIG_1, 1},
42558    {"R_swig_OBConversion_Write__SWIG_1", (DL_FUNC) &R_swig_OBConversion_Write__SWIG_1, 3},
42559    {"R_swig_OBConversion_WriteString__SWIG_1", (DL_FUNC) &R_swig_OBConversion_WriteString__SWIG_1, 3},
42560    {"R_swig_OBConversion_Read__SWIG_1", (DL_FUNC) &R_swig_OBConversion_Read__SWIG_1, 3},
42561    {"R_swig_OBConversion_ReportNumberConverted__SWIG_1", (DL_FUNC) &R_swig_OBConversion_ReportNumberConverted__SWIG_1, 2},
42562    {"R_swig_new_OBResidue__SWIG_1", (DL_FUNC) &R_swig_new_OBResidue__SWIG_1, 1},
42563    {"R_swig_OBResidue_SetNum__SWIG_1", (DL_FUNC) &R_swig_OBResidue_SetNum__SWIG_1, 2},
42564    {"R_swig_OBResidue_GetBonds__SWIG_1", (DL_FUNC) &R_swig_OBResidue_GetBonds__SWIG_1, 2},
42565    {"R_swig_new_OBInternalCoord__SWIG_1", (DL_FUNC) &R_swig_new_OBInternalCoord__SWIG_1, 5},
42566    {"R_swig_OBAtom_SetVector__SWIG_1", (DL_FUNC) &R_swig_OBAtom_SetVector__SWIG_1, 4},
42567    {"R_swig_OBAtom_GetResidue__SWIG_1", (DL_FUNC) &R_swig_OBAtom_GetResidue__SWIG_1, 2},
42568    {"R_swig_OBAtom_GetDistance__SWIG_1", (DL_FUNC) &R_swig_OBAtom_GetDistance__SWIG_1, 3},
42569    {"R_swig_OBAtom_GetAngle__SWIG_1", (DL_FUNC) &R_swig_OBAtom_GetAngle__SWIG_1, 4},
42570    {"R_swig_OBAtom_ExplicitHydrogenCount__SWIG_1", (DL_FUNC) &R_swig_OBAtom_ExplicitHydrogenCount__SWIG_1, 2},
42571    {"R_swig_OBAtom_HasAlphaBetaUnsat__SWIG_1", (DL_FUNC) &R_swig_OBAtom_HasAlphaBetaUnsat__SWIG_1, 2},
42572    {"R_swig_OBBond_SetLength__SWIG_1", (DL_FUNC) &R_swig_OBBond_SetLength__SWIG_1, 2},
42573    {"R_swig_OBBond_SetInRing__SWIG_1", (DL_FUNC) &R_swig_OBBond_SetInRing__SWIG_1, 1},
42574    {"R_swig_OBReaction_SetReversible__SWIG_1", (DL_FUNC) &R_swig_OBReaction_SetReversible__SWIG_1, 1},
42575    {"R_swig_new_OBMol__SWIG_1", (DL_FUNC) &R_swig_new_OBMol__SWIG_1, 1},
42576    {"R_swig_OBMol_AddAtom__SWIG_1", (DL_FUNC) &R_swig_OBMol_AddAtom__SWIG_1, 3},
42577    {"R_swig_OBMol_AddBond__SWIG_1", (DL_FUNC) &R_swig_OBMol_AddBond__SWIG_1, 6},
42578    {"R_swig_OBMol_NewAtom__SWIG_1", (DL_FUNC) &R_swig_OBMol_NewAtom__SWIG_1, 2},
42579    {"R_swig_OBMol_NewBond__SWIG_1", (DL_FUNC) &R_swig_OBMol_NewBond__SWIG_1, 2},
42580    {"R_swig_OBMol_DeleteAtom__SWIG_1", (DL_FUNC) &R_swig_OBMol_DeleteAtom__SWIG_1, 3},
42581    {"R_swig_OBMol_DeleteBond__SWIG_1", (DL_FUNC) &R_swig_OBMol_DeleteBond__SWIG_1, 3},
42582    {"R_swig_OBMol_DeleteResidue__SWIG_1", (DL_FUNC) &R_swig_OBMol_DeleteResidue__SWIG_1, 3},
42583    {"R_swig_OBMol_EndModify__SWIG_1", (DL_FUNC) &R_swig_OBMol_EndModify__SWIG_1, 1},
42584    {"R_swig_OBMolAtomDFSIter_GetTitle__SWIG_1", (DL_FUNC) &R_swig_OBMolAtomDFSIter_GetTitle__SWIG_1, 1},
42585    {"R_swig_OBMolAtomDFSIter_HasData__SWIG_1", (DL_FUNC) &R_swig_OBMolAtomDFSIter_HasData__SWIG_1, 3},
42586    {"R_swig_OBMolAtomDFSIter_DeleteData__SWIG_1", (DL_FUNC) &R_swig_OBMolAtomDFSIter_DeleteData__SWIG_1, 2},
42587    {"R_swig_OBMolAtomDFSIter_GetData__SWIG_1", (DL_FUNC) &R_swig_OBMolAtomDFSIter_GetData__SWIG_1, 2},
42588    {"R_swig_new_OBMolAtomBFSIter__SWIG_1", (DL_FUNC) &R_swig_new_OBMolAtomBFSIter__SWIG_1, 2},
42589    {"R_swig_OBMolAtomBFSIter_inc__SWIG_1", (DL_FUNC) &R_swig_OBMolAtomBFSIter_inc__SWIG_1, 3},
42590    {"R_swig_OBMolAtomBFSIter_SetVector__SWIG_1", (DL_FUNC) &R_swig_OBMolAtomBFSIter_SetVector__SWIG_1, 4},
42591    {"R_swig_OBMolAtomBFSIter_GetResidue__SWIG_1", (DL_FUNC) &R_swig_OBMolAtomBFSIter_GetResidue__SWIG_1, 2},
42592    {"R_swig_OBMolAtomBFSIter_GetDistance__SWIG_1", (DL_FUNC) &R_swig_OBMolAtomBFSIter_GetDistance__SWIG_1, 3},
42593    {"R_swig_OBMolAtomBFSIter_GetAngle__SWIG_1", (DL_FUNC) &R_swig_OBMolAtomBFSIter_GetAngle__SWIG_1, 4},
42594    {"R_swig_OBMolAtomBFSIter_HasAlphaBetaUnsat__SWIG_1", (DL_FUNC) &R_swig_OBMolAtomBFSIter_HasAlphaBetaUnsat__SWIG_1, 2},
42595    {"R_swig_OBMolAtomBFSIter_GetTitle__SWIG_1", (DL_FUNC) &R_swig_OBMolAtomBFSIter_GetTitle__SWIG_1, 1},
42596    {"R_swig_OBMolAtomBFSIter_HasData__SWIG_1", (DL_FUNC) &R_swig_OBMolAtomBFSIter_HasData__SWIG_1, 3},
42597    {"R_swig_OBMolAtomBFSIter_DeleteData__SWIG_1", (DL_FUNC) &R_swig_OBMolAtomBFSIter_DeleteData__SWIG_1, 2},
42598    {"R_swig_OBMolAtomBFSIter_GetData__SWIG_1", (DL_FUNC) &R_swig_OBMolAtomBFSIter_GetData__SWIG_1, 2},
42599    {"R_swig_new_OBMolBondBFSIter__SWIG_1", (DL_FUNC) &R_swig_new_OBMolBondBFSIter__SWIG_1, 2},
42600    {"R_swig_OBMolBondBFSIter_SetLength__SWIG_1", (DL_FUNC) &R_swig_OBMolBondBFSIter_SetLength__SWIG_1, 2},
42601    {"R_swig_OBMolBondBFSIter_SetInRing__SWIG_1", (DL_FUNC) &R_swig_OBMolBondBFSIter_SetInRing__SWIG_1, 1},
42602    {"R_swig_OBMolBondBFSIter_GetTitle__SWIG_1", (DL_FUNC) &R_swig_OBMolBondBFSIter_GetTitle__SWIG_1, 1},
42603    {"R_swig_OBMolBondBFSIter_HasData__SWIG_1", (DL_FUNC) &R_swig_OBMolBondBFSIter_HasData__SWIG_1, 3},
42604    {"R_swig_OBMolBondBFSIter_DeleteData__SWIG_1", (DL_FUNC) &R_swig_OBMolBondBFSIter_DeleteData__SWIG_1, 2},
42605    {"R_swig_OBMolBondBFSIter_GetData__SWIG_1", (DL_FUNC) &R_swig_OBMolBondBFSIter_GetData__SWIG_1, 2},
42606    {"R_swig_new_OBMolBondIter__SWIG_1", (DL_FUNC) &R_swig_new_OBMolBondIter__SWIG_1, 1},
42607    {"R_swig_OBMolBondIter_inc__SWIG_1", (DL_FUNC) &R_swig_OBMolBondIter_inc__SWIG_1, 3},
42608    {"R_swig_OBMolBondIter_SetLength__SWIG_1", (DL_FUNC) &R_swig_OBMolBondIter_SetLength__SWIG_1, 2},
42609    {"R_swig_OBMolBondIter_SetInRing__SWIG_1", (DL_FUNC) &R_swig_OBMolBondIter_SetInRing__SWIG_1, 1},
42610    {"R_swig_OBMolBondIter_GetTitle__SWIG_1", (DL_FUNC) &R_swig_OBMolBondIter_GetTitle__SWIG_1, 1},
42611    {"R_swig_OBMolBondIter_HasData__SWIG_1", (DL_FUNC) &R_swig_OBMolBondIter_HasData__SWIG_1, 3},
42612    {"R_swig_OBMolBondIter_DeleteData__SWIG_1", (DL_FUNC) &R_swig_OBMolBondIter_DeleteData__SWIG_1, 2},
42613    {"R_swig_OBMolBondIter_GetData__SWIG_1", (DL_FUNC) &R_swig_OBMolBondIter_GetData__SWIG_1, 2},
42614    {"R_swig_new_OBAtomAtomIter__SWIG_1", (DL_FUNC) &R_swig_new_OBAtomAtomIter__SWIG_1, 1},
42615    {"R_swig_OBAtomAtomIter_inc__SWIG_1", (DL_FUNC) &R_swig_OBAtomAtomIter_inc__SWIG_1, 3},
42616    {"R_swig_OBAtomAtomIter_SetVector__SWIG_1", (DL_FUNC) &R_swig_OBAtomAtomIter_SetVector__SWIG_1, 4},
42617    {"R_swig_OBAtomAtomIter_GetResidue__SWIG_1", (DL_FUNC) &R_swig_OBAtomAtomIter_GetResidue__SWIG_1, 2},
42618    {"R_swig_OBAtomAtomIter_GetDistance__SWIG_1", (DL_FUNC) &R_swig_OBAtomAtomIter_GetDistance__SWIG_1, 3},
42619    {"R_swig_OBAtomAtomIter_GetAngle__SWIG_1", (DL_FUNC) &R_swig_OBAtomAtomIter_GetAngle__SWIG_1, 4},
42620    {"R_swig_OBAtomAtomIter_HasAlphaBetaUnsat__SWIG_1", (DL_FUNC) &R_swig_OBAtomAtomIter_HasAlphaBetaUnsat__SWIG_1, 2},
42621    {"R_swig_OBAtomAtomIter_GetTitle__SWIG_1", (DL_FUNC) &R_swig_OBAtomAtomIter_GetTitle__SWIG_1, 1},
42622    {"R_swig_OBAtomAtomIter_HasData__SWIG_1", (DL_FUNC) &R_swig_OBAtomAtomIter_HasData__SWIG_1, 3},
42623    {"R_swig_OBAtomAtomIter_DeleteData__SWIG_1", (DL_FUNC) &R_swig_OBAtomAtomIter_DeleteData__SWIG_1, 2},
42624    {"R_swig_OBAtomAtomIter_GetData__SWIG_1", (DL_FUNC) &R_swig_OBAtomAtomIter_GetData__SWIG_1, 2},
42625    {"R_swig_new_OBAtomBondIter__SWIG_1", (DL_FUNC) &R_swig_new_OBAtomBondIter__SWIG_1, 1},
42626    {"R_swig_OBAtomBondIter_inc__SWIG_1", (DL_FUNC) &R_swig_OBAtomBondIter_inc__SWIG_1, 3},
42627    {"R_swig_OBAtomBondIter_SetLength__SWIG_1", (DL_FUNC) &R_swig_OBAtomBondIter_SetLength__SWIG_1, 2},
42628    {"R_swig_OBAtomBondIter_SetInRing__SWIG_1", (DL_FUNC) &R_swig_OBAtomBondIter_SetInRing__SWIG_1, 1},
42629    {"R_swig_OBAtomBondIter_GetTitle__SWIG_1", (DL_FUNC) &R_swig_OBAtomBondIter_GetTitle__SWIG_1, 1},
42630    {"R_swig_OBAtomBondIter_HasData__SWIG_1", (DL_FUNC) &R_swig_OBAtomBondIter_HasData__SWIG_1, 3},
42631    {"R_swig_OBAtomBondIter_DeleteData__SWIG_1", (DL_FUNC) &R_swig_OBAtomBondIter_DeleteData__SWIG_1, 2},
42632    {"R_swig_OBAtomBondIter_GetData__SWIG_1", (DL_FUNC) &R_swig_OBAtomBondIter_GetData__SWIG_1, 2},
42633    {"R_swig_new_OBResidueIter__SWIG_1", (DL_FUNC) &R_swig_new_OBResidueIter__SWIG_1, 1},
42634    {"R_swig_OBResidueIter_inc__SWIG_1", (DL_FUNC) &R_swig_OBResidueIter_inc__SWIG_1, 3},
42635    {"R_swig_OBResidueIter_SetNum__SWIG_1", (DL_FUNC) &R_swig_OBResidueIter_SetNum__SWIG_1, 2},
42636    {"R_swig_OBResidueIter_GetBonds__SWIG_1", (DL_FUNC) &R_swig_OBResidueIter_GetBonds__SWIG_1, 2},
42637    {"R_swig_OBResidueIter_GetTitle__SWIG_1", (DL_FUNC) &R_swig_OBResidueIter_GetTitle__SWIG_1, 1},
42638    {"R_swig_OBResidueIter_HasData__SWIG_1", (DL_FUNC) &R_swig_OBResidueIter_HasData__SWIG_1, 3},
42639    {"R_swig_OBResidueIter_DeleteData__SWIG_1", (DL_FUNC) &R_swig_OBResidueIter_DeleteData__SWIG_1, 2},
42640    {"R_swig_OBResidueIter_GetData__SWIG_1", (DL_FUNC) &R_swig_OBResidueIter_GetData__SWIG_1, 2},
42641    {"R_swig_new_OBResidueAtomIter__SWIG_1", (DL_FUNC) &R_swig_new_OBResidueAtomIter__SWIG_1, 1},
42642    {"R_swig_OBResidueAtomIter_inc__SWIG_1", (DL_FUNC) &R_swig_OBResidueAtomIter_inc__SWIG_1, 3},
42643    {"R_swig_OBResidueAtomIter_SetVector__SWIG_1", (DL_FUNC) &R_swig_OBResidueAtomIter_SetVector__SWIG_1, 4},
42644    {"R_swig_OBResidueAtomIter_GetResidue__SWIG_1", (DL_FUNC) &R_swig_OBResidueAtomIter_GetResidue__SWIG_1, 2},
42645    {"R_swig_OBResidueAtomIter_GetDistance__SWIG_1", (DL_FUNC) &R_swig_OBResidueAtomIter_GetDistance__SWIG_1, 3},
42646    {"R_swig_OBResidueAtomIter_GetAngle__SWIG_1", (DL_FUNC) &R_swig_OBResidueAtomIter_GetAngle__SWIG_1, 4},
42647    {"R_swig_OBResidueAtomIter_HasAlphaBetaUnsat__SWIG_1", (DL_FUNC) &R_swig_OBResidueAtomIter_HasAlphaBetaUnsat__SWIG_1, 2},
42648    {"R_swig_OBResidueAtomIter_GetTitle__SWIG_1", (DL_FUNC) &R_swig_OBResidueAtomIter_GetTitle__SWIG_1, 1},
42649    {"R_swig_OBResidueAtomIter_HasData__SWIG_1", (DL_FUNC) &R_swig_OBResidueAtomIter_HasData__SWIG_1, 3},
42650    {"R_swig_OBResidueAtomIter_DeleteData__SWIG_1", (DL_FUNC) &R_swig_OBResidueAtomIter_DeleteData__SWIG_1, 2},
42651    {"R_swig_OBResidueAtomIter_GetData__SWIG_1", (DL_FUNC) &R_swig_OBResidueAtomIter_GetData__SWIG_1, 2},
42652    {"R_swig_new_OBMolAngleIter__SWIG_1", (DL_FUNC) &R_swig_new_OBMolAngleIter__SWIG_1, 1},
42653    {"R_swig_new_OBMolTorsionIter__SWIG_1", (DL_FUNC) &R_swig_new_OBMolTorsionIter__SWIG_1, 1},
42654    {"R_swig_new_OBMolPairIter__SWIG_1", (DL_FUNC) &R_swig_new_OBMolPairIter__SWIG_1, 1},
42655    {"R_swig_new_OBMolRingIter__SWIG_1", (DL_FUNC) &R_swig_new_OBMolRingIter__SWIG_1, 1},
42656    {"R_swig_OBMolRingIter_inc__SWIG_1", (DL_FUNC) &R_swig_OBMolRingIter_inc__SWIG_1, 3},
42657    {"R_swig_OBMolRingIter_SetType__SWIG_1", (DL_FUNC) &R_swig_OBMolRingIter_SetType__SWIG_1, 2},
42658    {"R_swig_OBMolRingIter_IsMember__SWIG_1", (DL_FUNC) &R_swig_OBMolRingIter_IsMember__SWIG_1, 3},
42659    {"R_swig_OBTetrahedralStereo_GetConfig__SWIG_1", (DL_FUNC) &R_swig_OBTetrahedralStereo_GetConfig__SWIG_1, 3},
42660    {"R_swig_OBCisTransStereo_GetConfig__SWIG_1", (DL_FUNC) &R_swig_OBCisTransStereo_GetConfig__SWIG_1, 2},
42661    {"R_swig_OBSquarePlanarStereo_GetConfig__SWIG_1", (DL_FUNC) &R_swig_OBSquarePlanarStereo_GetConfig__SWIG_1, 2},
42662    {"R_swig_OBMolAtomDFSIter_GetDistance__SWIG_2", (DL_FUNC) &R_swig_OBMolAtomDFSIter_GetDistance__SWIG_2, 3},
42663    {"R_swig_OBMolAtomDFSIter_SetVector__SWIG_2", (DL_FUNC) &R_swig_OBMolAtomDFSIter_SetVector__SWIG_2, 1},
42664    {"R_swig_new_OBMolAtomDFSIter__SWIG_2", (DL_FUNC) &R_swig_new_OBMolAtomDFSIter__SWIG_2, 1},
42665    {"R_swig_OBMolAtomIter_GetData__SWIG_2", (DL_FUNC) &R_swig_OBMolAtomIter_GetData__SWIG_2, 2},
42666    {"R_swig_OBMolAtomIter_DeleteData__SWIG_2", (DL_FUNC) &R_swig_OBMolAtomIter_DeleteData__SWIG_2, 2},
42667    {"R_swig_OBMolAtomIter_GetDistance__SWIG_2", (DL_FUNC) &R_swig_OBMolAtomIter_GetDistance__SWIG_2, 3},
42668    {"R_swig_OBMolAtomIter_SetVector__SWIG_2", (DL_FUNC) &R_swig_OBMolAtomIter_SetVector__SWIG_2, 1},
42669    {"R_swig_new_OBMolAtomIter__SWIG_2", (DL_FUNC) &R_swig_new_OBMolAtomIter__SWIG_2, 1},
42670    {"R_swig_new_OBAlign__SWIG_2", (DL_FUNC) &R_swig_new_OBAlign__SWIG_2, 0},
42671    {"R_swig_OBConformerSearch_Setup__SWIG_2", (DL_FUNC) &R_swig_OBConformerSearch_Setup__SWIG_2, 5},
42672    {"R_swig_new_OBStericConformerFilter__SWIG_2", (DL_FUNC) &R_swig_new_OBStericConformerFilter__SWIG_2, 2},
42673    {"R_swig_OBForceField_IgnoreCalculation__SWIG_2", (DL_FUNC) &R_swig_OBForceField_IgnoreCalculation__SWIG_2, 5},
42674    {"R_swig_OBForceField_ConjugateGradients__SWIG_2", (DL_FUNC) &R_swig_OBForceField_ConjugateGradients__SWIG_2, 2},
42675    {"R_swig_OBForceField_SteepestDescent__SWIG_2", (DL_FUNC) &R_swig_OBForceField_SteepestDescent__SWIG_2, 2},
42676    {"R_swig_OBForceField_DiverseConfGen__SWIG_2", (DL_FUNC) &R_swig_OBForceField_DiverseConfGen__SWIG_2, 4},
42677    {"R_swig_OBRotamerList_AddRotamer__SWIG_2", (DL_FUNC) &R_swig_OBRotamerList_AddRotamer__SWIG_2, 2},
42678    {"R_swig_OBRotor_Set__SWIG_2", (DL_FUNC) &R_swig_OBRotor_Set__SWIG_2, 4},
42679    {"R_swig_new_OBBitVec__SWIG_2", (DL_FUNC) &R_swig_new_OBBitVec__SWIG_2, 1},
42680    {"R_swig_CisTransFrom2D__SWIG_2", (DL_FUNC) &R_swig_CisTransFrom2D__SWIG_2, 3},
42681    {"R_swig_StereoFrom2D__SWIG_2", (DL_FUNC) &R_swig_StereoFrom2D__SWIG_2, 1},
42682    {"R_swig_new_OBStereoUnit__SWIG_2", (DL_FUNC) &R_swig_new_OBStereoUnit__SWIG_2, 2},
42683    {"R_swig_CanonicalLabels__SWIG_2", (DL_FUNC) &R_swig_CanonicalLabels__SWIG_2, 4},
42684    {"R_swig_new_OBQueryBond__SWIG_2", (DL_FUNC) &R_swig_new_OBQueryBond__SWIG_2, 2},
42685    {"R_swig_new_OBQueryAtom__SWIG_2", (DL_FUNC) &R_swig_new_OBQueryAtom__SWIG_2, 1},
42686    {"R_swig_FindAutomorphisms__SWIG_2", (DL_FUNC) &R_swig_FindAutomorphisms__SWIG_2, 4},
42687    {"R_swig_OBIsomorphismMapper_MapAll__SWIG_2", (DL_FUNC) &R_swig_OBIsomorphismMapper_MapAll__SWIG_2, 3},
42688    {"R_swig_OBOp_Do__SWIG_2", (DL_FUNC) &R_swig_OBOp_Do__SWIG_2, 4},
42689    {"R_swig_OBBuilder_Connect__SWIG_2", (DL_FUNC) &R_swig_OBBuilder_Connect__SWIG_2, 5},
42690    {"R_swig_new_FastSearchIndexer__SWIG_2", (DL_FUNC) &R_swig_new_FastSearchIndexer__SWIG_2, 3},
42691    {"R_swig_FastSearch_FindSimilar__SWIG_2", (DL_FUNC) &R_swig_FastSearch_FindSimilar__SWIG_2, 5},
42692    {"R_swig_OBSmartsPattern_RestrictedMatch__SWIG_2", (DL_FUNC) &R_swig_OBSmartsPattern_RestrictedMatch__SWIG_2, 5},
42693    {"R_swig_OBSmartsPattern_Match__SWIG_2", (DL_FUNC) &R_swig_OBSmartsPattern_Match__SWIG_2, 5},
42694    {"R_swig_new_OBRing__SWIG_2", (DL_FUNC) &R_swig_new_OBRing__SWIG_2, 2},
42695    {"R_swig_OBMol_AddNewHydrogens__SWIG_2", (DL_FUNC) &R_swig_OBMol_AddNewHydrogens__SWIG_2, 3},
42696    {"R_swig_OBMol_AddHydrogens__SWIG_2", (DL_FUNC) &R_swig_OBMol_AddHydrogens__SWIG_2, 3},
42697    {"R_swig_OBMol_Rotate__SWIG_2", (DL_FUNC) &R_swig_OBMol_Rotate__SWIG_2, 3},
42698    {"R_swig_OBMol_GetSpacedFormula__SWIG_2", (DL_FUNC) &R_swig_OBMol_GetSpacedFormula__SWIG_2, 3},
42699    {"R_swig_OBMol_GetBond__SWIG_2", (DL_FUNC) &R_swig_OBMol_GetBond__SWIG_2, 3},
42700    {"R_swig_new_OBTorsion__SWIG_2", (DL_FUNC) &R_swig_new_OBTorsion__SWIG_2, 1},
42701    {"R_swig_OBUnitCell_GetSpaceGroupNumber__SWIG_2", (DL_FUNC) &R_swig_OBUnitCell_GetSpaceGroupNumber__SWIG_2, 3},
42702    {"R_swig_OBUnitCell_GetLatticeType__SWIG_2", (DL_FUNC) &R_swig_OBUnitCell_GetLatticeType__SWIG_2, 2},
42703    {"R_swig_OBUnitCell_SetSpaceGroup__SWIG_2", (DL_FUNC) &R_swig_OBUnitCell_SetSpaceGroup__SWIG_2, 2},
42704    {"R_swig_OBUnitCell_SetData__SWIG_2", (DL_FUNC) &R_swig_OBUnitCell_SetData__SWIG_2, 2},
42705    {"R_swig_new_OBVirtualBond__SWIG_2", (DL_FUNC) &R_swig_new_OBVirtualBond__SWIG_2, 3},
42706    {"R_swig_OBSetData_GetData__SWIG_2", (DL_FUNC) &R_swig_OBSetData_GetData__SWIG_2, 2},
42707    {"R_swig_new_OBExternalBond__SWIG_2", (DL_FUNC) &R_swig_new_OBExternalBond__SWIG_2, 1},
42708    {"R_swig_OBBase_GetData__SWIG_2", (DL_FUNC) &R_swig_OBBase_GetData__SWIG_2, 2},
42709    {"R_swig_OBBase_DeleteData__SWIG_2", (DL_FUNC) &R_swig_OBBase_DeleteData__SWIG_2, 2},
42710    {"R_swig_new_OBGenericData__SWIG_2", (DL_FUNC) &R_swig_new_OBGenericData__SWIG_2, 1},
42711    {"R_swig_SpaceGroup_GetSpaceGroup__SWIG_2", (DL_FUNC) &R_swig_SpaceGroup_GetSpaceGroup__SWIG_2, 1},
42712    {"R_swig_new_transform3d__SWIG_2", (DL_FUNC) &R_swig_new_transform3d__SWIG_2, 1},
42713    {"R_swig_new_matrix3x3__SWIG_2", (DL_FUNC) &R_swig_new_matrix3x3__SWIG_2, 3},
42714    {"R_swig_new_vector3__SWIG_2", (DL_FUNC) &R_swig_new_vector3__SWIG_2, 1},
42715    {"R_swig_OBTypeTable_Translate__SWIG_2", (DL_FUNC) &R_swig_OBTypeTable_Translate__SWIG_2, 3},
42716    {"R_swig_new_vectorOBResidue__SWIG_2", (DL_FUNC) &R_swig_new_vectorOBResidue__SWIG_2, 1},
42717    {"R_swig_new_vectorOBBond__SWIG_2", (DL_FUNC) &R_swig_new_vectorOBBond__SWIG_2, 1},
42718    {"R_swig_new_vectorOBMol__SWIG_2", (DL_FUNC) &R_swig_new_vectorOBMol__SWIG_2, 1},
42719    {"R_swig_new_vectorvVector3__SWIG_2", (DL_FUNC) &R_swig_new_vectorvVector3__SWIG_2, 1},
42720    {"R_swig_new_vectorVector3__SWIG_2", (DL_FUNC) &R_swig_new_vectorVector3__SWIG_2, 1},
42721    {"R_swig_new_vectorString__SWIG_2", (DL_FUNC) &R_swig_new_vectorString__SWIG_2, 1},
42722    {"R_swig_new_vectorInt__SWIG_2", (DL_FUNC) &R_swig_new_vectorInt__SWIG_2, 1},
42723    {"R_swig_new_vectorUnsignedInt__SWIG_2", (DL_FUNC) &R_swig_new_vectorUnsignedInt__SWIG_2, 1},
42724    {"R_swig_new_vectorvInt__SWIG_2", (DL_FUNC) &R_swig_new_vectorvInt__SWIG_2, 1},
42725    {"R_swig_new_vectorDouble__SWIG_2", (DL_FUNC) &R_swig_new_vectorDouble__SWIG_2, 1},
42726    {"R_swig_new_vectorOBRing__SWIG_2", (DL_FUNC) &R_swig_new_vectorOBRing__SWIG_2, 1},
42727    {"R_swig_new_vectorpOBRing__SWIG_2", (DL_FUNC) &R_swig_new_vectorpOBRing__SWIG_2, 1},
42728    {"R_swig_new_vectorpOBGenericData__SWIG_2", (DL_FUNC) &R_swig_new_vectorpOBGenericData__SWIG_2, 1},
42729    {"R_swig_new_vectorpOBInternalCoord__SWIG_2", (DL_FUNC) &R_swig_new_vectorpOBInternalCoord__SWIG_2, 1},
42730    {"R_swig_new_pairUIntUInt__SWIG_2", (DL_FUNC) &R_swig_new_pairUIntUInt__SWIG_2, 1},
42731    {"R_swig_new_vpairUIntUInt__SWIG_2", (DL_FUNC) &R_swig_new_vpairUIntUInt__SWIG_2, 1},
42732    {"R_swig_new_vvpairUIntUInt__SWIG_2", (DL_FUNC) &R_swig_new_vvpairUIntUInt__SWIG_2, 1},
42733    {"R_swig_OBElementTable_GetAtomicNum__SWIG_2", (DL_FUNC) &R_swig_OBElementTable_GetAtomicNum__SWIG_2, 4},
42734    {"R_swig_new_OBAngle__SWIG_2", (DL_FUNC) &R_swig_new_OBAngle__SWIG_2, 1},
42735    {"R_swig_OBOrbital_SetData__SWIG_2", (DL_FUNC) &R_swig_OBOrbital_SetData__SWIG_2, 2},
42736    {"R_swig_OBPlugin_List__SWIG_2", (DL_FUNC) &R_swig_OBPlugin_List__SWIG_2, 1},
42737    {"R_swig_new_OBError__SWIG_2", (DL_FUNC) &R_swig_new_OBError__SWIG_2, 4},
42738    {"R_swig_OBMessageHandler_ThrowError__SWIG_2", (DL_FUNC) &R_swig_OBMessageHandler_ThrowError__SWIG_2, 5},
42739    {"R_swig_new_OBConversion__SWIG_2", (DL_FUNC) &R_swig_new_OBConversion__SWIG_2, 0},
42740    {"R_swig_OBConversion_AddOption__SWIG_2", (DL_FUNC) &R_swig_OBConversion_AddOption__SWIG_2, 2},
42741    {"R_swig_OBConversion_RegisterOptionParam__SWIG_2", (DL_FUNC) &R_swig_OBConversion_RegisterOptionParam__SWIG_2, 2},
42742    {"R_swig_new_OBInternalCoord__SWIG_2", (DL_FUNC) &R_swig_new_OBInternalCoord__SWIG_2, 4},
42743    {"R_swig_OBAtom_SetVector__SWIG_2", (DL_FUNC) &R_swig_OBAtom_SetVector__SWIG_2, 1},
42744    {"R_swig_OBAtom_GetDistance__SWIG_2", (DL_FUNC) &R_swig_OBAtom_GetDistance__SWIG_2, 3},
42745    {"R_swig_OBMol_AddBond__SWIG_2", (DL_FUNC) &R_swig_OBMol_AddBond__SWIG_2, 5},
42746    {"R_swig_OBMolAtomDFSIter_DeleteData__SWIG_2", (DL_FUNC) &R_swig_OBMolAtomDFSIter_DeleteData__SWIG_2, 2},
42747    {"R_swig_OBMolAtomDFSIter_GetData__SWIG_2", (DL_FUNC) &R_swig_OBMolAtomDFSIter_GetData__SWIG_2, 2},
42748    {"R_swig_new_OBMolAtomBFSIter__SWIG_2", (DL_FUNC) &R_swig_new_OBMolAtomBFSIter__SWIG_2, 1},
42749    {"R_swig_OBMolAtomBFSIter_SetVector__SWIG_2", (DL_FUNC) &R_swig_OBMolAtomBFSIter_SetVector__SWIG_2, 1},
42750    {"R_swig_OBMolAtomBFSIter_GetDistance__SWIG_2", (DL_FUNC) &R_swig_OBMolAtomBFSIter_GetDistance__SWIG_2, 3},
42751    {"R_swig_OBMolAtomBFSIter_DeleteData__SWIG_2", (DL_FUNC) &R_swig_OBMolAtomBFSIter_DeleteData__SWIG_2, 2},
42752    {"R_swig_OBMolAtomBFSIter_GetData__SWIG_2", (DL_FUNC) &R_swig_OBMolAtomBFSIter_GetData__SWIG_2, 2},
42753    {"R_swig_new_OBMolBondBFSIter__SWIG_2", (DL_FUNC) &R_swig_new_OBMolBondBFSIter__SWIG_2, 1},
42754    {"R_swig_OBMolBondBFSIter_DeleteData__SWIG_2", (DL_FUNC) &R_swig_OBMolBondBFSIter_DeleteData__SWIG_2, 2},
42755    {"R_swig_OBMolBondBFSIter_GetData__SWIG_2", (DL_FUNC) &R_swig_OBMolBondBFSIter_GetData__SWIG_2, 2},
42756    {"R_swig_new_OBMolBondIter__SWIG_2", (DL_FUNC) &R_swig_new_OBMolBondIter__SWIG_2, 1},
42757    {"R_swig_OBMolBondIter_DeleteData__SWIG_2", (DL_FUNC) &R_swig_OBMolBondIter_DeleteData__SWIG_2, 2},
42758    {"R_swig_OBMolBondIter_GetData__SWIG_2", (DL_FUNC) &R_swig_OBMolBondIter_GetData__SWIG_2, 2},
42759    {"R_swig_new_OBAtomAtomIter__SWIG_2", (DL_FUNC) &R_swig_new_OBAtomAtomIter__SWIG_2, 1},
42760    {"R_swig_OBAtomAtomIter_SetVector__SWIG_2", (DL_FUNC) &R_swig_OBAtomAtomIter_SetVector__SWIG_2, 1},
42761    {"R_swig_OBAtomAtomIter_GetDistance__SWIG_2", (DL_FUNC) &R_swig_OBAtomAtomIter_GetDistance__SWIG_2, 3},
42762    {"R_swig_OBAtomAtomIter_DeleteData__SWIG_2", (DL_FUNC) &R_swig_OBAtomAtomIter_DeleteData__SWIG_2, 2},
42763    {"R_swig_OBAtomAtomIter_GetData__SWIG_2", (DL_FUNC) &R_swig_OBAtomAtomIter_GetData__SWIG_2, 2},
42764    {"R_swig_new_OBAtomBondIter__SWIG_2", (DL_FUNC) &R_swig_new_OBAtomBondIter__SWIG_2, 1},
42765    {"R_swig_OBAtomBondIter_DeleteData__SWIG_2", (DL_FUNC) &R_swig_OBAtomBondIter_DeleteData__SWIG_2, 2},
42766    {"R_swig_OBAtomBondIter_GetData__SWIG_2", (DL_FUNC) &R_swig_OBAtomBondIter_GetData__SWIG_2, 2},
42767    {"R_swig_new_OBResidueIter__SWIG_2", (DL_FUNC) &R_swig_new_OBResidueIter__SWIG_2, 1},
42768    {"R_swig_OBResidueIter_DeleteData__SWIG_2", (DL_FUNC) &R_swig_OBResidueIter_DeleteData__SWIG_2, 2},
42769    {"R_swig_OBResidueIter_GetData__SWIG_2", (DL_FUNC) &R_swig_OBResidueIter_GetData__SWIG_2, 2},
42770    {"R_swig_new_OBResidueAtomIter__SWIG_2", (DL_FUNC) &R_swig_new_OBResidueAtomIter__SWIG_2, 1},
42771    {"R_swig_OBResidueAtomIter_SetVector__SWIG_2", (DL_FUNC) &R_swig_OBResidueAtomIter_SetVector__SWIG_2, 1},
42772    {"R_swig_OBResidueAtomIter_GetDistance__SWIG_2", (DL_FUNC) &R_swig_OBResidueAtomIter_GetDistance__SWIG_2, 3},
42773    {"R_swig_OBResidueAtomIter_DeleteData__SWIG_2", (DL_FUNC) &R_swig_OBResidueAtomIter_DeleteData__SWIG_2, 2},
42774    {"R_swig_OBResidueAtomIter_GetData__SWIG_2", (DL_FUNC) &R_swig_OBResidueAtomIter_GetData__SWIG_2, 2},
42775    {"R_swig_new_OBMolAngleIter__SWIG_2", (DL_FUNC) &R_swig_new_OBMolAngleIter__SWIG_2, 1},
42776    {"R_swig_new_OBMolTorsionIter__SWIG_2", (DL_FUNC) &R_swig_new_OBMolTorsionIter__SWIG_2, 1},
42777    {"R_swig_new_OBMolPairIter__SWIG_2", (DL_FUNC) &R_swig_new_OBMolPairIter__SWIG_2, 1},
42778    {"R_swig_new_OBMolRingIter__SWIG_2", (DL_FUNC) &R_swig_new_OBMolRingIter__SWIG_2, 1},
42779    {"R_swig_OBTetrahedralStereo_GetConfig__SWIG_2", (DL_FUNC) &R_swig_OBTetrahedralStereo_GetConfig__SWIG_2, 2},
42780    {"R_swig_OBCisTransStereo_GetConfig__SWIG_2", (DL_FUNC) &R_swig_OBCisTransStereo_GetConfig__SWIG_2, 4},
42781    {"R_swig_OBSquarePlanarStereo_GetConfig__SWIG_2", (DL_FUNC) &R_swig_OBSquarePlanarStereo_GetConfig__SWIG_2, 4},
42782    {"R_swig_new_OBMolAtomDFSIter__SWIG_3", (DL_FUNC) &R_swig_new_OBMolAtomDFSIter__SWIG_3, 1},
42783    {"R_swig_OBMolAtomIter_GetData__SWIG_3", (DL_FUNC) &R_swig_OBMolAtomIter_GetData__SWIG_3, 3},
42784    {"R_swig_OBMolAtomIter_DeleteData__SWIG_3", (DL_FUNC) &R_swig_OBMolAtomIter_DeleteData__SWIG_3, 3},
42785    {"R_swig_new_OBAlign__SWIG_3", (DL_FUNC) &R_swig_new_OBAlign__SWIG_3, 4},
42786    {"R_swig_OBConformerSearch_Setup__SWIG_3", (DL_FUNC) &R_swig_OBConformerSearch_Setup__SWIG_3, 4},
42787    {"R_swig_new_OBStericConformerFilter__SWIG_3", (DL_FUNC) &R_swig_new_OBStericConformerFilter__SWIG_3, 1},
42788    {"R_swig_OBForceField_DiverseConfGen__SWIG_3", (DL_FUNC) &R_swig_OBForceField_DiverseConfGen__SWIG_3, 3},
42789    {"R_swig_OBRotamerList_AddRotamer__SWIG_3", (DL_FUNC) &R_swig_OBRotamerList_AddRotamer__SWIG_3, 2},
42790    {"R_swig_CanonicalLabels__SWIG_3", (DL_FUNC) &R_swig_CanonicalLabels__SWIG_3, 3},
42791    {"R_swig_new_OBQueryAtom__SWIG_3", (DL_FUNC) &R_swig_new_OBQueryAtom__SWIG_3, 0},
42792    {"R_swig_FindAutomorphisms__SWIG_3", (DL_FUNC) &R_swig_FindAutomorphisms__SWIG_3, 5},
42793    {"R_swig_OBOp_Do__SWIG_3", (DL_FUNC) &R_swig_OBOp_Do__SWIG_3, 3},
42794    {"R_swig_OBBuilder_Connect__SWIG_3", (DL_FUNC) &R_swig_OBBuilder_Connect__SWIG_3, 4},
42795    {"R_swig_new_FastSearchIndexer__SWIG_3", (DL_FUNC) &R_swig_new_FastSearchIndexer__SWIG_3, 3},
42796    {"R_swig_FastSearch_FindSimilar__SWIG_3", (DL_FUNC) &R_swig_FastSearch_FindSimilar__SWIG_3, 4},
42797    {"R_swig_OBSmartsPattern_RestrictedMatch__SWIG_3", (DL_FUNC) &R_swig_OBSmartsPattern_RestrictedMatch__SWIG_3, 4},
42798    {"R_swig_OBSmartsPattern_Match__SWIG_3", (DL_FUNC) &R_swig_OBSmartsPattern_Match__SWIG_3, 4},
42799    {"R_swig_new_OBRing__SWIG_3", (DL_FUNC) &R_swig_new_OBRing__SWIG_3, 1},
42800    {"R_swig_OBMol_AddHydrogens__SWIG_3", (DL_FUNC) &R_swig_OBMol_AddHydrogens__SWIG_3, 2},
42801    {"R_swig_OBMol_GetSpacedFormula__SWIG_3", (DL_FUNC) &R_swig_OBMol_GetSpacedFormula__SWIG_3, 2},
42802    {"R_swig_OBUnitCell_GetSpaceGroupNumber__SWIG_3", (DL_FUNC) &R_swig_OBUnitCell_GetSpaceGroupNumber__SWIG_3, 2},
42803    {"R_swig_OBUnitCell_GetLatticeType__SWIG_3", (DL_FUNC) &R_swig_OBUnitCell_GetLatticeType__SWIG_3, 2},
42804    {"R_swig_OBBase_GetData__SWIG_3", (DL_FUNC) &R_swig_OBBase_GetData__SWIG_3, 3},
42805    {"R_swig_OBBase_DeleteData__SWIG_3", (DL_FUNC) &R_swig_OBBase_DeleteData__SWIG_3, 3},
42806    {"R_swig_new_OBGenericData__SWIG_3", (DL_FUNC) &R_swig_new_OBGenericData__SWIG_3, 0},
42807    {"R_swig_new_transform3d__SWIG_3", (DL_FUNC) &R_swig_new_transform3d__SWIG_3, 4},
42808    {"R_swig_new_matrix3x3__SWIG_3", (DL_FUNC) &R_swig_new_matrix3x3__SWIG_3, 1},
42809    {"R_swig_new_vector3__SWIG_3", (DL_FUNC) &R_swig_new_vector3__SWIG_3, 0},
42810    {"R_swig_new_vectorOBResidue__SWIG_3", (DL_FUNC) &R_swig_new_vectorOBResidue__SWIG_3, 2},
42811    {"R_swig_new_vectorOBBond__SWIG_3", (DL_FUNC) &R_swig_new_vectorOBBond__SWIG_3, 2},
42812    {"R_swig_new_vectorOBMol__SWIG_3", (DL_FUNC) &R_swig_new_vectorOBMol__SWIG_3, 2},
42813    {"R_swig_new_vectorvVector3__SWIG_3", (DL_FUNC) &R_swig_new_vectorvVector3__SWIG_3, 2},
42814    {"R_swig_new_vectorVector3__SWIG_3", (DL_FUNC) &R_swig_new_vectorVector3__SWIG_3, 2},
42815    {"R_swig_new_vectorString__SWIG_3", (DL_FUNC) &R_swig_new_vectorString__SWIG_3, 2},
42816    {"R_swig_new_vectorInt__SWIG_3", (DL_FUNC) &R_swig_new_vectorInt__SWIG_3, 2},
42817    {"R_swig_new_vectorUnsignedInt__SWIG_3", (DL_FUNC) &R_swig_new_vectorUnsignedInt__SWIG_3, 2},
42818    {"R_swig_new_vectorvInt__SWIG_3", (DL_FUNC) &R_swig_new_vectorvInt__SWIG_3, 2},
42819    {"R_swig_new_vectorDouble__SWIG_3", (DL_FUNC) &R_swig_new_vectorDouble__SWIG_3, 2},
42820    {"R_swig_new_vectorOBRing__SWIG_3", (DL_FUNC) &R_swig_new_vectorOBRing__SWIG_3, 2},
42821    {"R_swig_new_vectorpOBRing__SWIG_3", (DL_FUNC) &R_swig_new_vectorpOBRing__SWIG_3, 2},
42822    {"R_swig_new_vectorpOBGenericData__SWIG_3", (DL_FUNC) &R_swig_new_vectorpOBGenericData__SWIG_3, 2},
42823    {"R_swig_new_vectorpOBInternalCoord__SWIG_3", (DL_FUNC) &R_swig_new_vectorpOBInternalCoord__SWIG_3, 2},
42824    {"R_swig_new_vpairUIntUInt__SWIG_3", (DL_FUNC) &R_swig_new_vpairUIntUInt__SWIG_3, 2},
42825    {"R_swig_new_vvpairUIntUInt__SWIG_3", (DL_FUNC) &R_swig_new_vvpairUIntUInt__SWIG_3, 2},
42826    {"R_swig_new_OBError__SWIG_3", (DL_FUNC) &R_swig_new_OBError__SWIG_3, 3},
42827    {"R_swig_OBMessageHandler_ThrowError__SWIG_3", (DL_FUNC) &R_swig_OBMessageHandler_ThrowError__SWIG_3, 4},
42828    {"R_swig_new_OBConversion__SWIG_3", (DL_FUNC) &R_swig_new_OBConversion__SWIG_3, 1},
42829    {"R_swig_new_OBInternalCoord__SWIG_3", (DL_FUNC) &R_swig_new_OBInternalCoord__SWIG_3, 3},
42830    {"R_swig_OBMol_AddBond__SWIG_3", (DL_FUNC) &R_swig_OBMol_AddBond__SWIG_3, 3},
42831    {"R_swig_OBMolAtomDFSIter_DeleteData__SWIG_3", (DL_FUNC) &R_swig_OBMolAtomDFSIter_DeleteData__SWIG_3, 3},
42832    {"R_swig_OBMolAtomDFSIter_GetData__SWIG_3", (DL_FUNC) &R_swig_OBMolAtomDFSIter_GetData__SWIG_3, 3},
42833    {"R_swig_new_OBMolAtomBFSIter__SWIG_3", (DL_FUNC) &R_swig_new_OBMolAtomBFSIter__SWIG_3, 1},
42834    {"R_swig_OBMolAtomBFSIter_DeleteData__SWIG_3", (DL_FUNC) &R_swig_OBMolAtomBFSIter_DeleteData__SWIG_3, 3},
42835    {"R_swig_OBMolAtomBFSIter_GetData__SWIG_3", (DL_FUNC) &R_swig_OBMolAtomBFSIter_GetData__SWIG_3, 3},
42836    {"R_swig_new_OBMolBondBFSIter__SWIG_3", (DL_FUNC) &R_swig_new_OBMolBondBFSIter__SWIG_3, 1},
42837    {"R_swig_OBMolBondBFSIter_DeleteData__SWIG_3", (DL_FUNC) &R_swig_OBMolBondBFSIter_DeleteData__SWIG_3, 3},
42838    {"R_swig_OBMolBondBFSIter_GetData__SWIG_3", (DL_FUNC) &R_swig_OBMolBondBFSIter_GetData__SWIG_3, 3},
42839    {"R_swig_OBMolBondIter_DeleteData__SWIG_3", (DL_FUNC) &R_swig_OBMolBondIter_DeleteData__SWIG_3, 3},
42840    {"R_swig_OBMolBondIter_GetData__SWIG_3", (DL_FUNC) &R_swig_OBMolBondIter_GetData__SWIG_3, 3},
42841    {"R_swig_OBAtomAtomIter_DeleteData__SWIG_3", (DL_FUNC) &R_swig_OBAtomAtomIter_DeleteData__SWIG_3, 3},
42842    {"R_swig_OBAtomAtomIter_GetData__SWIG_3", (DL_FUNC) &R_swig_OBAtomAtomIter_GetData__SWIG_3, 3},
42843    {"R_swig_OBAtomBondIter_DeleteData__SWIG_3", (DL_FUNC) &R_swig_OBAtomBondIter_DeleteData__SWIG_3, 3},
42844    {"R_swig_OBAtomBondIter_GetData__SWIG_3", (DL_FUNC) &R_swig_OBAtomBondIter_GetData__SWIG_3, 3},
42845    {"R_swig_OBResidueIter_DeleteData__SWIG_3", (DL_FUNC) &R_swig_OBResidueIter_DeleteData__SWIG_3, 3},
42846    {"R_swig_OBResidueIter_GetData__SWIG_3", (DL_FUNC) &R_swig_OBResidueIter_GetData__SWIG_3, 3},
42847    {"R_swig_OBResidueAtomIter_DeleteData__SWIG_3", (DL_FUNC) &R_swig_OBResidueAtomIter_DeleteData__SWIG_3, 3},
42848    {"R_swig_OBResidueAtomIter_GetData__SWIG_3", (DL_FUNC) &R_swig_OBResidueAtomIter_GetData__SWIG_3, 3},
42849    {"R_swig_OBTetrahedralStereo_GetConfig__SWIG_3", (DL_FUNC) &R_swig_OBTetrahedralStereo_GetConfig__SWIG_3, 5},
42850    {"R_swig_OBCisTransStereo_GetConfig__SWIG_3", (DL_FUNC) &R_swig_OBCisTransStereo_GetConfig__SWIG_3, 3},
42851    {"R_swig_OBSquarePlanarStereo_GetConfig__SWIG_3", (DL_FUNC) &R_swig_OBSquarePlanarStereo_GetConfig__SWIG_3, 3},
42852    {"R_swig_new_OBAlign__SWIG_4", (DL_FUNC) &R_swig_new_OBAlign__SWIG_4, 3},
42853    {"R_swig_OBConformerSearch_Setup__SWIG_4", (DL_FUNC) &R_swig_OBConformerSearch_Setup__SWIG_4, 3},
42854    {"R_swig_FindAutomorphisms__SWIG_4", (DL_FUNC) &R_swig_FindAutomorphisms__SWIG_4, 4},
42855    {"R_swig_new_FastSearchIndexer__SWIG_4", (DL_FUNC) &R_swig_new_FastSearchIndexer__SWIG_4, 2},
42856    {"R_swig_OBMol_AddHydrogens__SWIG_4", (DL_FUNC) &R_swig_OBMol_AddHydrogens__SWIG_4, 3},
42857    {"R_swig_new_transform3d__SWIG_4", (DL_FUNC) &R_swig_new_transform3d__SWIG_4, 2},
42858    {"R_swig_new_vector3__SWIG_4", (DL_FUNC) &R_swig_new_vector3__SWIG_4, 1},
42859    {"R_swig_new_OBError__SWIG_4", (DL_FUNC) &R_swig_new_OBError__SWIG_4, 2},
42860    {"R_swig_OBMessageHandler_ThrowError__SWIG_4", (DL_FUNC) &R_swig_OBMessageHandler_ThrowError__SWIG_4, 3},
42861    {"R_swig_new_OBInternalCoord__SWIG_4", (DL_FUNC) &R_swig_new_OBInternalCoord__SWIG_4, 2},
42862    {"R_swig_OBMol_GetMod", (DL_FUNC) &R_swig_OBMol_GetMod, 2},
42863    {"R_swig_OBTetrahedralStereo_GetConfig__SWIG_4", (DL_FUNC) &R_swig_OBTetrahedralStereo_GetConfig__SWIG_4, 4},
42864    {"R_swig_new_OBAlign__SWIG_5", (DL_FUNC) &R_swig_new_OBAlign__SWIG_5, 2},
42865    {"R_swig_FindAutomorphisms__SWIG_5", (DL_FUNC) &R_swig_FindAutomorphisms__SWIG_5, 3},
42866    {"R_swig_new_vector3__SWIG_5", (DL_FUNC) &R_swig_new_vector3__SWIG_5, 1},
42867    {"R_swig_new_OBError__SWIG_5", (DL_FUNC) &R_swig_new_OBError__SWIG_5, 1},
42868    {"R_swig_new_OBInternalCoord__SWIG_5", (DL_FUNC) &R_swig_new_OBInternalCoord__SWIG_5, 1},
42869    {"R_swig_OBBitVec_Negate", (DL_FUNC) &R_swig_OBBitVec_Negate, 1},
42870    {"R_swig_OBTetrahedralStereo_GetConfig__SWIG_5", (DL_FUNC) &R_swig_OBTetrahedralStereo_GetConfig__SWIG_5, 3},
42871    {"R_swig_new_OBAlign__SWIG_6", (DL_FUNC) &R_swig_new_OBAlign__SWIG_6, 2},
42872    {"R_swig_FindAutomorphisms__SWIG_6", (DL_FUNC) &R_swig_FindAutomorphisms__SWIG_6, 4},
42873    {"R_swig_new_OBError__SWIG_6", (DL_FUNC) &R_swig_new_OBError__SWIG_6, 0},
42874    {"R_swig_new_OBInternalCoord__SWIG_6", (DL_FUNC) &R_swig_new_OBInternalCoord__SWIG_6, 0},
42875    {"R_swig_OBRotationData_GetSymmetryNumber", (DL_FUNC) &R_swig_OBRotationData_GetSymmetryNumber, 2},
42876    {"R_swig_OBMol_FindChiralCenters", (DL_FUNC) &R_swig_OBMol_FindChiralCenters, 1},
42877    {"R_swig_FindAutomorphisms__SWIG_7", (DL_FUNC) &R_swig_FindAutomorphisms__SWIG_7, 3},
42878    {"R_swig_OBAlign_SetTargetMol", (DL_FUNC) &R_swig_OBAlign_SetTargetMol, 2},
42879    {"R_swig_OBQueryAtom_GetNbrs", (DL_FUNC) &R_swig_OBQueryAtom_GetNbrs, 2},
42880    {"R_swig_OBMol_MakeDativeBonds", (DL_FUNC) &R_swig_OBMol_MakeDativeBonds, 2},
42881    {"R_swig_OBMol_ConvertDativeBonds", (DL_FUNC) &R_swig_OBMol_ConvertDativeBonds, 2},
42882    {"R_swig_OBMol_NewPerceiveKekuleBonds", (DL_FUNC) &R_swig_OBMol_NewPerceiveKekuleBonds, 1},
42883    {"R_swig_OBMol_PerceiveKekuleBonds", (DL_FUNC) &R_swig_OBMol_PerceiveKekuleBonds, 2},
42884    {"R_swig_OBConformerSearch_SetConvergence", (DL_FUNC) &R_swig_OBConformerSearch_SetConvergence, 2},
42885    {"R_swig_OBConformerScore_GetConvergence", (DL_FUNC) &R_swig_OBConformerScore_GetConvergence, 2},
42886    {"R_swig_OBForceField_EnableAllPairs", (DL_FUNC) &R_swig_OBForceField_EnableAllPairs, 1},
42887    {"R_swig_vectorOBRing___delslice__", (DL_FUNC) &R_swig_vectorOBRing___delslice__, 3},
42888    {"R_swig_vectorOBRing___setslice__", (DL_FUNC) &R_swig_vectorOBRing___setslice__, 4},
42889    {"R_swig_vectorOBRing___getslice__", (DL_FUNC) &R_swig_vectorOBRing___getslice__, 3},
42890    {"R_swig_vectorOBResidue___delslice__", (DL_FUNC) &R_swig_vectorOBResidue___delslice__, 3},
42891    {"R_swig_vectorOBResidue___setslice__", (DL_FUNC) &R_swig_vectorOBResidue___setslice__, 4},
42892    {"R_swig_vectorOBResidue___getslice__", (DL_FUNC) &R_swig_vectorOBResidue___getslice__, 3},
42893    {"R_swig_vectorOBBond___delslice__", (DL_FUNC) &R_swig_vectorOBBond___delslice__, 3},
42894    {"R_swig_vectorOBBond___setslice__", (DL_FUNC) &R_swig_vectorOBBond___setslice__, 4},
42895    {"R_swig_vectorOBBond___getslice__", (DL_FUNC) &R_swig_vectorOBBond___getslice__, 3},
42896    {"R_swig_vectorOBMol___delslice__", (DL_FUNC) &R_swig_vectorOBMol___delslice__, 3},
42897    {"R_swig_vectorOBMol___setslice__", (DL_FUNC) &R_swig_vectorOBMol___setslice__, 4},
42898    {"R_swig_vectorOBMol___getslice__", (DL_FUNC) &R_swig_vectorOBMol___getslice__, 3},
42899    {"R_swig_vectorvVector3___delslice__", (DL_FUNC) &R_swig_vectorvVector3___delslice__, 3},
42900    {"R_swig_vectorvVector3___setslice__", (DL_FUNC) &R_swig_vectorvVector3___setslice__, 4},
42901    {"R_swig_vectorvVector3___getslice__", (DL_FUNC) &R_swig_vectorvVector3___getslice__, 3},
42902    {"R_swig_vectorVector3___delslice__", (DL_FUNC) &R_swig_vectorVector3___delslice__, 3},
42903    {"R_swig_vectorVector3___setslice__", (DL_FUNC) &R_swig_vectorVector3___setslice__, 4},
42904    {"R_swig_vectorVector3___getslice__", (DL_FUNC) &R_swig_vectorVector3___getslice__, 3},
42905    {"R_swig_vectorUnsignedInt___delslice__", (DL_FUNC) &R_swig_vectorUnsignedInt___delslice__, 3},
42906    {"R_swig_vectorUnsignedInt___setslice__", (DL_FUNC) &R_swig_vectorUnsignedInt___setslice__, 4},
42907    {"R_swig_vectorUnsignedInt___getslice__", (DL_FUNC) &R_swig_vectorUnsignedInt___getslice__, 3},
42908    {"R_swig_vectorInt___delslice__", (DL_FUNC) &R_swig_vectorInt___delslice__, 3},
42909    {"R_swig_vectorInt___setslice__", (DL_FUNC) &R_swig_vectorInt___setslice__, 4},
42910    {"R_swig_vectorInt___getslice__", (DL_FUNC) &R_swig_vectorInt___getslice__, 3},
42911    {"R_swig_vectorvInt___getslice__", (DL_FUNC) &R_swig_vectorvInt___getslice__, 3},
42912    {"R_swig_vectorvInt___setslice__", (DL_FUNC) &R_swig_vectorvInt___setslice__, 4},
42913    {"R_swig_vectorvInt___delslice__", (DL_FUNC) &R_swig_vectorvInt___delslice__, 3},
42914    {"R_swig_vectorDouble___getslice__", (DL_FUNC) &R_swig_vectorDouble___getslice__, 3},
42915    {"R_swig_vectorDouble___setslice__", (DL_FUNC) &R_swig_vectorDouble___setslice__, 4},
42916    {"R_swig_vectorDouble___delslice__", (DL_FUNC) &R_swig_vectorDouble___delslice__, 3},
42917    {"R_swig_vectorString___getslice__", (DL_FUNC) &R_swig_vectorString___getslice__, 3},
42918    {"R_swig_vectorString___setslice__", (DL_FUNC) &R_swig_vectorString___setslice__, 4},
42919    {"R_swig_vectorString___delslice__", (DL_FUNC) &R_swig_vectorString___delslice__, 3},
42920    {"R_swig_vectorpOBRing___getslice__", (DL_FUNC) &R_swig_vectorpOBRing___getslice__, 3},
42921    {"R_swig_vectorpOBRing___setslice__", (DL_FUNC) &R_swig_vectorpOBRing___setslice__, 4},
42922    {"R_swig_vectorpOBRing___delslice__", (DL_FUNC) &R_swig_vectorpOBRing___delslice__, 3},
42923    {"R_swig_vectorpOBGenericData___getslice__", (DL_FUNC) &R_swig_vectorpOBGenericData___getslice__, 3},
42924    {"R_swig_vectorpOBGenericData___setslice__", (DL_FUNC) &R_swig_vectorpOBGenericData___setslice__, 4},
42925    {"R_swig_vectorpOBGenericData___delslice__", (DL_FUNC) &R_swig_vectorpOBGenericData___delslice__, 3},
42926    {"R_swig_vectorpOBInternalCoord___getslice__", (DL_FUNC) &R_swig_vectorpOBInternalCoord___getslice__, 3},
42927    {"R_swig_vectorpOBInternalCoord___setslice__", (DL_FUNC) &R_swig_vectorpOBInternalCoord___setslice__, 4},
42928    {"R_swig_vectorpOBInternalCoord___delslice__", (DL_FUNC) &R_swig_vectorpOBInternalCoord___delslice__, 3},
42929    {"R_swig_vpairUIntUInt___getslice__", (DL_FUNC) &R_swig_vpairUIntUInt___getslice__, 3},
42930    {"R_swig_vpairUIntUInt___setslice__", (DL_FUNC) &R_swig_vpairUIntUInt___setslice__, 4},
42931    {"R_swig_vpairUIntUInt___delslice__", (DL_FUNC) &R_swig_vpairUIntUInt___delslice__, 3},
42932    {"R_swig_vvpairUIntUInt___getslice__", (DL_FUNC) &R_swig_vvpairUIntUInt___getslice__, 3},
42933    {"R_swig_vvpairUIntUInt___setslice__", (DL_FUNC) &R_swig_vvpairUIntUInt___setslice__, 4},
42934    {"R_swig_vvpairUIntUInt___delslice__", (DL_FUNC) &R_swig_vvpairUIntUInt___delslice__, 3},
42935    {"R_swig_MapsTo", (DL_FUNC) &R_swig_MapsTo, 4},
42936    {"R_swig_OBMolAtomDFSIter_GetId", (DL_FUNC) &R_swig_OBMolAtomDFSIter_GetId, 2},
42937    {"R_swig_OBMolAtomIter_GetId", (DL_FUNC) &R_swig_OBMolAtomIter_GetId, 2},
42938    {"R_swig_SpaceGroup_GetId", (DL_FUNC) &R_swig_SpaceGroup_GetId, 2},
42939    {"R_swig_OBBond_GetId", (DL_FUNC) &R_swig_OBBond_GetId, 2},
42940    {"R_swig_OBMolAtomBFSIter_GetId", (DL_FUNC) &R_swig_OBMolAtomBFSIter_GetId, 2},
42941    {"R_swig_OBMolBondBFSIter_GetId", (DL_FUNC) &R_swig_OBMolBondBFSIter_GetId, 2},
42942    {"R_swig_OBMolBondIter_GetId", (DL_FUNC) &R_swig_OBMolBondIter_GetId, 2},
42943    {"R_swig_OBAtomAtomIter_GetId", (DL_FUNC) &R_swig_OBAtomAtomIter_GetId, 2},
42944    {"R_swig_OBAtomBondIter_GetId", (DL_FUNC) &R_swig_OBAtomBondIter_GetId, 2},
42945    {"R_swig_OBResidueAtomIter_GetId", (DL_FUNC) &R_swig_OBResidueAtomIter_GetId, 2},
42946    {"R_swig_OBMol_SetFormula", (DL_FUNC) &R_swig_OBMol_SetFormula, 2},
42947    {"R_swig_OBMol_GetFormula", (DL_FUNC) &R_swig_OBMol_GetFormula, 2},
42948    {"R_swig_OBMol_HasHydrogensAdded", (DL_FUNC) &R_swig_OBMol_HasHydrogensAdded, 2},
42949    {"R_swig_OBMol_UnsetHydrogensAdded", (DL_FUNC) &R_swig_OBMol_UnsetHydrogensAdded, 1},
42950    {"R_swig_OBMol_SetHydrogensAdded", (DL_FUNC) &R_swig_OBMol_SetHydrogensAdded, 1},
42951    {"R_swig_OBRotorList_Init", (DL_FUNC) &R_swig_OBRotorList_Init, 2},
42952    {"R_swig_OBAtomHOF_Value", (DL_FUNC) &R_swig_OBAtomHOF_Value, 2},
42953    {"R_swig_VX_get", (DL_FUNC) &R_swig_VX_get, 1},
42954    {"R_swig_OBMolAtomDFSIter_ClearCoordPtr", (DL_FUNC) &R_swig_OBMolAtomDFSIter_ClearCoordPtr, 1},
42955    {"R_swig_OBMolAtomDFSIter_SetCoordPtr", (DL_FUNC) &R_swig_OBMolAtomDFSIter_SetCoordPtr, 2},
42956    {"R_swig_OBMolAtomIter_ClearCoordPtr", (DL_FUNC) &R_swig_OBMolAtomIter_ClearCoordPtr, 1},
42957    {"R_swig_OBMolAtomIter_SetCoordPtr", (DL_FUNC) &R_swig_OBMolAtomIter_SetCoordPtr, 2},
42958    {"R_swig_OBAtom_SetCoordPtr", (DL_FUNC) &R_swig_OBAtom_SetCoordPtr, 2},
42959    {"R_swig_OBAtom_ClearCoordPtr", (DL_FUNC) &R_swig_OBAtom_ClearCoordPtr, 1},
42960    {"R_swig_OBMolAtomBFSIter_SetCoordPtr", (DL_FUNC) &R_swig_OBMolAtomBFSIter_SetCoordPtr, 2},
42961    {"R_swig_OBMolAtomBFSIter_ClearCoordPtr", (DL_FUNC) &R_swig_OBMolAtomBFSIter_ClearCoordPtr, 1},
42962    {"R_swig_OBAtomAtomIter_SetCoordPtr", (DL_FUNC) &R_swig_OBAtomAtomIter_SetCoordPtr, 2},
42963    {"R_swig_OBAtomAtomIter_ClearCoordPtr", (DL_FUNC) &R_swig_OBAtomAtomIter_ClearCoordPtr, 1},
42964    {"R_swig_OBResidueAtomIter_SetCoordPtr", (DL_FUNC) &R_swig_OBResidueAtomIter_SetCoordPtr, 2},
42965    {"R_swig_OBResidueAtomIter_ClearCoordPtr", (DL_FUNC) &R_swig_OBResidueAtomIter_ClearCoordPtr, 1},
42966    {"R_swig_OBConversion_IsFirstInput", (DL_FUNC) &R_swig_OBConversion_IsFirstInput, 2},
42967    {"R_swig_OBAlign_SetMethod", (DL_FUNC) &R_swig_OBAlign_SetMethod, 2},
42968    {"R_swig_OBError_GetMethod", (DL_FUNC) &R_swig_OBError_GetMethod, 2},
42969    {"R_swig_OBBuilder_IsSpiroAtom", (DL_FUNC) &R_swig_OBBuilder_IsSpiroAtom, 3},
42970    {"R_swig_OBSpectrophore_GetNormalization", (DL_FUNC) &R_swig_OBSpectrophore_GetNormalization, 2},
42971    {"R_swig_OBElement_GetIonization", (DL_FUNC) &R_swig_OBElement_GetIonization, 2},
42972    {"R_swig_OBElementTable_GetIonization", (DL_FUNC) &R_swig_OBElementTable_GetIonization, 3},
42973    {"R_swig_new_OBBase", (DL_FUNC) &R_swig_new_OBBase, 0},
42974    {"R_swig_delete_OBBase", (DL_FUNC) &R_swig_delete_OBBase, 1},
42975    {"R_swig_OBMolAtomDFSIter_CountRingBonds", (DL_FUNC) &R_swig_OBMolAtomDFSIter_CountRingBonds, 2},
42976    {"R_swig_OBMolAtomIter_CountRingBonds", (DL_FUNC) &R_swig_OBMolAtomIter_CountRingBonds, 2},
42977    {"R_swig_OBAtom_CountRingBonds", (DL_FUNC) &R_swig_OBAtom_CountRingBonds, 2},
42978    {"R_swig_OBMolAtomBFSIter_CountRingBonds", (DL_FUNC) &R_swig_OBMolAtomBFSIter_CountRingBonds, 2},
42979    {"R_swig_OBAtomAtomIter_CountRingBonds", (DL_FUNC) &R_swig_OBAtomAtomIter_CountRingBonds, 2},
42980    {"R_swig_OBResidueAtomIter_CountRingBonds", (DL_FUNC) &R_swig_OBResidueAtomIter_CountRingBonds, 2},
42981    {"R_swig_OBFFParameter__dpar_set", (DL_FUNC) &R_swig_OBFFParameter__dpar_set, 2},
42982    {"R_swig_OBFFParameter__ipar_set", (DL_FUNC) &R_swig_OBFFParameter__ipar_set, 2},
42983    {"R_swig_OBMolAtomIter_DoTransformations", (DL_FUNC) &R_swig_OBMolAtomIter_DoTransformations, 3},
42984    {"R_swig_OBBase_DoTransformations", (DL_FUNC) &R_swig_OBBase_DoTransformations, 3},
42985    {"R_swig_OBMolAtomDFSIter_DoTransformations", (DL_FUNC) &R_swig_OBMolAtomDFSIter_DoTransformations, 3},
42986    {"R_swig_OBMolAtomBFSIter_DoTransformations", (DL_FUNC) &R_swig_OBMolAtomBFSIter_DoTransformations, 3},
42987    {"R_swig_OBMolBondBFSIter_DoTransformations", (DL_FUNC) &R_swig_OBMolBondBFSIter_DoTransformations, 3},
42988    {"R_swig_OBMolBondIter_DoTransformations", (DL_FUNC) &R_swig_OBMolBondIter_DoTransformations, 3},
42989    {"R_swig_OBAtomAtomIter_DoTransformations", (DL_FUNC) &R_swig_OBAtomAtomIter_DoTransformations, 3},
42990    {"R_swig_OBAtomBondIter_DoTransformations", (DL_FUNC) &R_swig_OBAtomBondIter_DoTransformations, 3},
42991    {"R_swig_OBResidueIter_DoTransformations", (DL_FUNC) &R_swig_OBResidueIter_DoTransformations, 3},
42992    {"R_swig_OBResidueAtomIter_DoTransformations", (DL_FUNC) &R_swig_OBResidueAtomIter_DoTransformations, 3},
42993    {"R_swig_OBMol_HasSpinMultiplicityAssigned", (DL_FUNC) &R_swig_OBMol_HasSpinMultiplicityAssigned, 2},
42994    {"R_swig_OBMol_SetSpinMultiplicityAssigned", (DL_FUNC) &R_swig_OBMol_SetSpinMultiplicityAssigned, 1},
42995    {"R_swig_OBFFConstraint_a_set", (DL_FUNC) &R_swig_OBFFConstraint_a_set, 2},
42996    {"R_swig_OBFFCalculation2_idx_a_set", (DL_FUNC) &R_swig_OBFFCalculation2_idx_a_set, 2},
42997    {"R_swig_OBFFCalculation2_a_set", (DL_FUNC) &R_swig_OBFFCalculation2_a_set, 2},
42998    {"R_swig_OBFFParameter_a_set", (DL_FUNC) &R_swig_OBFFParameter_a_set, 2},
42999    {"R_swig_OBForceField_SetupPointers", (DL_FUNC) &R_swig_OBForceField_SetupPointers, 2},
43000    {"R_swig_OBFFCalculation2_SetupPointers", (DL_FUNC) &R_swig_OBFFCalculation2_SetupPointers, 1},
43001    {"R_swig_OBMolAtomDFSIter_IsPhosphorus", (DL_FUNC) &R_swig_OBMolAtomDFSIter_IsPhosphorus, 2},
43002    {"R_swig_OBMolAtomIter_IsPhosphorus", (DL_FUNC) &R_swig_OBMolAtomIter_IsPhosphorus, 2},
43003    {"R_swig_OBAtom_IsPhosphorus", (DL_FUNC) &R_swig_OBAtom_IsPhosphorus, 2},
43004    {"R_swig_OBMolAtomBFSIter_IsPhosphorus", (DL_FUNC) &R_swig_OBMolAtomBFSIter_IsPhosphorus, 2},
43005    {"R_swig_OBAtomAtomIter_IsPhosphorus", (DL_FUNC) &R_swig_OBAtomAtomIter_IsPhosphorus, 2},
43006    {"R_swig_OBResidueAtomIter_IsPhosphorus", (DL_FUNC) &R_swig_OBResidueAtomIter_IsPhosphorus, 2},
43007    {"R_swig_OBSmartsPattern_BeginMList", (DL_FUNC) &R_swig_OBSmartsPattern_BeginMList, 2},
43008    {"R_swig_OBMolAtomDFSIter_GetIsotope", (DL_FUNC) &R_swig_OBMolAtomDFSIter_GetIsotope, 2},
43009    {"R_swig_OBMolAtomDFSIter_SetIsotope", (DL_FUNC) &R_swig_OBMolAtomDFSIter_SetIsotope, 2},
43010    {"R_swig_OBMolAtomIter_GetIsotope", (DL_FUNC) &R_swig_OBMolAtomIter_GetIsotope, 2},
43011    {"R_swig_OBMolAtomIter_SetIsotope", (DL_FUNC) &R_swig_OBMolAtomIter_SetIsotope, 2},
43012    {"R_swig_OBAtom_SetIsotope", (DL_FUNC) &R_swig_OBAtom_SetIsotope, 2},
43013    {"R_swig_OBAtom_GetIsotope", (DL_FUNC) &R_swig_OBAtom_GetIsotope, 2},
43014    {"R_swig_OBMolAtomBFSIter_SetIsotope", (DL_FUNC) &R_swig_OBMolAtomBFSIter_SetIsotope, 2},
43015    {"R_swig_OBMolAtomBFSIter_GetIsotope", (DL_FUNC) &R_swig_OBMolAtomBFSIter_GetIsotope, 2},
43016    {"R_swig_OBAtomAtomIter_SetIsotope", (DL_FUNC) &R_swig_OBAtomAtomIter_SetIsotope, 2},
43017    {"R_swig_OBAtomAtomIter_GetIsotope", (DL_FUNC) &R_swig_OBAtomAtomIter_GetIsotope, 2},
43018    {"R_swig_OBResidueAtomIter_SetIsotope", (DL_FUNC) &R_swig_OBResidueAtomIter_SetIsotope, 2},
43019    {"R_swig_OBResidueAtomIter_GetIsotope", (DL_FUNC) &R_swig_OBResidueAtomIter_GetIsotope, 2},
43020    {"R_swig_OBMolAtomDFSIter_IsCarboxylOxygen", (DL_FUNC) &R_swig_OBMolAtomDFSIter_IsCarboxylOxygen, 2},
43021    {"R_swig_OBMolAtomIter_IsCarboxylOxygen", (DL_FUNC) &R_swig_OBMolAtomIter_IsCarboxylOxygen, 2},
43022    {"R_swig_OBAtom_IsCarboxylOxygen", (DL_FUNC) &R_swig_OBAtom_IsCarboxylOxygen, 2},
43023    {"R_swig_OBMolAtomBFSIter_IsCarboxylOxygen", (DL_FUNC) &R_swig_OBMolAtomBFSIter_IsCarboxylOxygen, 2},
43024    {"R_swig_OBAtomAtomIter_IsCarboxylOxygen", (DL_FUNC) &R_swig_OBAtomAtomIter_IsCarboxylOxygen, 2},
43025    {"R_swig_OBResidueAtomIter_IsCarboxylOxygen", (DL_FUNC) &R_swig_OBResidueAtomIter_IsCarboxylOxygen, 2},
43026    {"R_swig_OBFreeGrid_AddPoint", (DL_FUNC) &R_swig_OBFreeGrid_AddPoint, 5},
43027    {"R_swig_OBMolAtomDFSIter_CountFreeOxygens", (DL_FUNC) &R_swig_OBMolAtomDFSIter_CountFreeOxygens, 2},
43028    {"R_swig_OBMolAtomIter_CountFreeOxygens", (DL_FUNC) &R_swig_OBMolAtomIter_CountFreeOxygens, 2},
43029    {"R_swig_OBAtom_CountFreeOxygens", (DL_FUNC) &R_swig_OBAtom_CountFreeOxygens, 2},
43030    {"R_swig_OBMolAtomBFSIter_CountFreeOxygens", (DL_FUNC) &R_swig_OBMolAtomBFSIter_CountFreeOxygens, 2},
43031    {"R_swig_OBMolBondBFSIter_Set", (DL_FUNC) &R_swig_OBMolBondBFSIter_Set, 6},
43032    {"R_swig_OBMolBondIter_Set", (DL_FUNC) &R_swig_OBMolBondIter_Set, 6},
43033    {"R_swig_OBAtomAtomIter_CountFreeOxygens", (DL_FUNC) &R_swig_OBAtomAtomIter_CountFreeOxygens, 2},
43034    {"R_swig_OBAtomBondIter_Set", (DL_FUNC) &R_swig_OBAtomBondIter_Set, 6},
43035    {"R_swig_OBResidueAtomIter_CountFreeOxygens", (DL_FUNC) &R_swig_OBResidueAtomIter_CountFreeOxygens, 2},
43036    {"R_swig_matrix3x3_PlaneReflection", (DL_FUNC) &R_swig_matrix3x3_PlaneReflection, 2},
43037    {"R_swig_atomtyper_set", (DL_FUNC) &R_swig_atomtyper_set, 1},
43038    {"R_swig_aromtyper_set", (DL_FUNC) &R_swig_aromtyper_set, 1},
43039    {"R_swig_OBTetrahedralConfig_center_set", (DL_FUNC) &R_swig_OBTetrahedralConfig_center_set, 2},
43040    {"R_swig_OBSquarePlanarConfig_center_set", (DL_FUNC) &R_swig_OBSquarePlanarConfig_center_set, 2},
43041    {"R_swig_OBMol_GetSSSR", (DL_FUNC) &R_swig_OBMol_GetSSSR, 2},
43042    {"R_swig_OBForceField_HasGroups", (DL_FUNC) &R_swig_OBForceField_HasGroups, 2},
43043    {"R_swig_ostreamToFile", (DL_FUNC) &R_swig_ostreamToFile, 1},
43044    {"R_swig_OBForceField_UpdatePairsSimple", (DL_FUNC) &R_swig_OBForceField_UpdatePairsSimple, 1},
43045    {"R_swig_AliasData_SetColor", (DL_FUNC) &R_swig_AliasData_SetColor, 2},
43046    {"R_swig_AliasData_GetColor", (DL_FUNC) &R_swig_AliasData_GetColor, 2},
43047    {"R_swig_OBBond_SetEnd", (DL_FUNC) &R_swig_OBBond_SetEnd, 2},
43048    {"R_swig_OBMolBondBFSIter_SetEnd", (DL_FUNC) &R_swig_OBMolBondBFSIter_SetEnd, 2},
43049    {"R_swig_OBMolBondIter_SetEnd", (DL_FUNC) &R_swig_OBMolBondIter_SetEnd, 2},
43050    {"R_swig_OBAtomBondIter_SetEnd", (DL_FUNC) &R_swig_OBAtomBondIter_SetEnd, 2},
43051    {"R_swig_OBFFConstraints_Size", (DL_FUNC) &R_swig_OBFFConstraints_Size, 2},
43052    {"R_swig_OBFFConstraint_rbc0_get", (DL_FUNC) &R_swig_OBFFConstraint_rbc0_get, 2},
43053    {"R_swig_OBTypeTable_GetToType", (DL_FUNC) &R_swig_OBTypeTable_GetToType, 2},
43054    {"R_swig_OBTypeTable_SetToType", (DL_FUNC) &R_swig_OBTypeTable_SetToType, 3},
43055    {"R_swig_OBChiralData_GetAtom4Refs", (DL_FUNC) &R_swig_OBChiralData_GetAtom4Refs, 3},
43056    {"R_swig_OBChiralData_SetAtom4Refs", (DL_FUNC) &R_swig_OBChiralData_SetAtom4Refs, 4},
43057    {"R_swig_OBRotorList_SetRotAtomsByFix", (DL_FUNC) &R_swig_OBRotorList_SetRotAtomsByFix, 2},
43058    {"R_swig_istreamFromFile", (DL_FUNC) &R_swig_istreamFromFile, 1},
43059    {"R_swig_OBGlobalDataBase_SetEnvironmentVariable", (DL_FUNC) &R_swig_OBGlobalDataBase_SetEnvironmentVariable, 2},
43060    {"R_swig_OBOrbitalData_SetOpenShell", (DL_FUNC) &R_swig_OBOrbitalData_SetOpenShell, 2},
43061    {"R_swig_OBOrbitalData_IsOpenShell", (DL_FUNC) &R_swig_OBOrbitalData_IsOpenShell, 2},
43062    {"R_swig_OBForceField_PrintPartialCharges", (DL_FUNC) &R_swig_OBForceField_PrintPartialCharges, 1},
43063    {"R_swig_OBForceField_PrintFormalCharges", (DL_FUNC) &R_swig_OBForceField_PrintFormalCharges, 1},
43064    {"R_swig_OBForceField_GetPartialCharges", (DL_FUNC) &R_swig_OBForceField_GetPartialCharges, 3},
43065    {"R_swig_OBForceField_SetPartialCharges", (DL_FUNC) &R_swig_OBForceField_SetPartialCharges, 2},
43066    {"R_swig_OBForceField_SetFormalCharges", (DL_FUNC) &R_swig_OBForceField_SetFormalCharges, 2},
43067    {"R_swig_OBChargeModel_GetPartialCharges", (DL_FUNC) &R_swig_OBChargeModel_GetPartialCharges, 2},
43068    {"R_swig_OBChargeModel_GetFormalCharges", (DL_FUNC) &R_swig_OBChargeModel_GetFormalCharges, 2},
43069    {"R_swig_OBChargeModel_ComputeCharges", (DL_FUNC) &R_swig_OBChargeModel_ComputeCharges, 3},
43070    {"R_swig_OBAlign_UpdateCoords", (DL_FUNC) &R_swig_OBAlign_UpdateCoords, 3},
43071    {"R_swig_OBRotor_SetNumCoords", (DL_FUNC) &R_swig_OBRotor_SetNumCoords, 2},
43072    {"R_swig_OBMol_HasNonZeroCoords", (DL_FUNC) &R_swig_OBMol_HasNonZeroCoords, 2},
43073    {"R_swig_OBMol_ConvertZeroBonds", (DL_FUNC) &R_swig_OBMol_ConvertZeroBonds, 2},
43074    {"R_swig_OBFingerprint_Flags", (DL_FUNC) &R_swig_OBFingerprint_Flags, 2},
43075    {"R_swig_OBFormat_Flags", (DL_FUNC) &R_swig_OBFormat_Flags, 2},
43076    {"R_swig_OBBond_IsWedge", (DL_FUNC) &R_swig_OBBond_IsWedge, 2},
43077    {"R_swig_OBMolBondBFSIter_IsWedge", (DL_FUNC) &R_swig_OBMolBondBFSIter_IsWedge, 2},
43078    {"R_swig_OBMolBondIter_IsWedge", (DL_FUNC) &R_swig_OBMolBondIter_IsWedge, 2},
43079    {"R_swig_OBAtomBondIter_IsWedge", (DL_FUNC) &R_swig_OBAtomBondIter_IsWedge, 2},
43080    {"R_swig_OBRotorList_IgnoreSymmetryRemoval", (DL_FUNC) &R_swig_OBRotorList_IgnoreSymmetryRemoval, 1},
43081    {"R_swig_OBRotorRule_GetSmartsString", (DL_FUNC) &R_swig_OBRotorRule_GetSmartsString, 2},
43082    {"R_swig_OBBitVec_FromString", (DL_FUNC) &R_swig_OBBitVec_FromString, 3},
43083    {"R_swig_OBAtomClassData_GetClassString", (DL_FUNC) &R_swig_OBAtomClassData_GetClassString, 3},
43084    {"R_swig_transform3d_DescribeAsString", (DL_FUNC) &R_swig_transform3d_DescribeAsString, 2},
43085    {"R_swig_istreamFromString", (DL_FUNC) &R_swig_istreamFromString, 1},
43086    {"R_swig_ostreamToString", (DL_FUNC) &R_swig_ostreamToString, 0},
43087    {"R_swig_OBResidue_GetNumString", (DL_FUNC) &R_swig_OBResidue_GetNumString, 2},
43088    {"R_swig_OBResidueIter_GetNumString", (DL_FUNC) &R_swig_OBResidueIter_GetNumString, 2},
43089    {"R_swig_OBBond_IsRotor", (DL_FUNC) &R_swig_OBBond_IsRotor, 2},
43090    {"R_swig_OBMolBondBFSIter_IsRotor", (DL_FUNC) &R_swig_OBMolBondBFSIter_IsRotor, 2},
43091    {"R_swig_OBMolBondIter_IsRotor", (DL_FUNC) &R_swig_OBMolBondIter_IsRotor, 2},
43092    {"R_swig_OBAtomBondIter_IsRotor", (DL_FUNC) &R_swig_OBAtomBondIter_IsRotor, 2},
43093    {"R_swig_delete_OBRandom", (DL_FUNC) &R_swig_delete_OBRandom, 1},
43094    {"R_swig_OBConformerData_GetDisplacements", (DL_FUNC) &R_swig_OBConformerData_GetDisplacements, 2},
43095    {"R_swig_OBConformerData_SetDisplacements", (DL_FUNC) &R_swig_OBConformerData_SetDisplacements, 2},
43096    {"R_swig_OBFFConstraint_constraint_value_set", (DL_FUNC) &R_swig_OBFFConstraint_constraint_value_set, 2},
43097    {"R_swig_Residue_set", (DL_FUNC) &R_swig_Residue_set, 1},
43098    {"R_swig_OBMolAtomDFSIter_IsThiocarboxylSulfur", (DL_FUNC) &R_swig_OBMolAtomDFSIter_IsThiocarboxylSulfur, 2},
43099    {"R_swig_OBMolAtomIter_IsThiocarboxylSulfur", (DL_FUNC) &R_swig_OBMolAtomIter_IsThiocarboxylSulfur, 2},
43100    {"R_swig_OBAtom_IsThiocarboxylSulfur", (DL_FUNC) &R_swig_OBAtom_IsThiocarboxylSulfur, 2},
43101    {"R_swig_OBMolAtomBFSIter_IsThiocarboxylSulfur", (DL_FUNC) &R_swig_OBMolAtomBFSIter_IsThiocarboxylSulfur, 2},
43102    {"R_swig_OBAtomAtomIter_IsThiocarboxylSulfur", (DL_FUNC) &R_swig_OBAtomAtomIter_IsThiocarboxylSulfur, 2},
43103    {"R_swig_OBResidueAtomIter_IsThiocarboxylSulfur", (DL_FUNC) &R_swig_OBResidueAtomIter_IsThiocarboxylSulfur, 2},
43104    {"R_swig_OBTetrahedralConfig_view_set", (DL_FUNC) &R_swig_OBTetrahedralConfig_view_set, 2},
43105    {"R_swig_OBMolAtomDFSIter_HasChiralitySpecified", (DL_FUNC) &R_swig_OBMolAtomDFSIter_HasChiralitySpecified, 2},
43106    {"R_swig_OBMolAtomIter_HasChiralitySpecified", (DL_FUNC) &R_swig_OBMolAtomIter_HasChiralitySpecified, 2},
43107    {"R_swig_OBStereoBase_IsSpecified", (DL_FUNC) &R_swig_OBStereoBase_IsSpecified, 2},
43108    {"R_swig_OBStereoBase_SetSpecified", (DL_FUNC) &R_swig_OBStereoBase_SetSpecified, 2},
43109    {"R_swig_OBAtom_HasChiralitySpecified", (DL_FUNC) &R_swig_OBAtom_HasChiralitySpecified, 2},
43110    {"R_swig_OBMolAtomBFSIter_HasChiralitySpecified", (DL_FUNC) &R_swig_OBMolAtomBFSIter_HasChiralitySpecified, 2},
43111    {"R_swig_OBAtomAtomIter_HasChiralitySpecified", (DL_FUNC) &R_swig_OBAtomAtomIter_HasChiralitySpecified, 2},
43112    {"R_swig_OBResidueAtomIter_HasChiralitySpecified", (DL_FUNC) &R_swig_OBResidueAtomIter_HasChiralitySpecified, 2},
43113    {"R_swig_Point2Plane", (DL_FUNC) &R_swig_Point2Plane, 5},
43114    {"R_swig_OBGridData_GetXAxis", (DL_FUNC) &R_swig_OBGridData_GetXAxis, 2},
43115    {"R_swig_delete_OBMolRingIter", (DL_FUNC) &R_swig_delete_OBMolRingIter, 1},
43116    {"R_swig_delete_vectorOBBond", (DL_FUNC) &R_swig_delete_vectorOBBond, 1},
43117    {"R_swig_OBConversion_FullConvert", (DL_FUNC) &R_swig_OBConversion_FullConvert, 5},
43118    {"R_swig_pairUIntUInt_first_get", (DL_FUNC) &R_swig_pairUIntUInt_first_get, 2},
43119    {"R_swig_OBInternalCoord__dst_get", (DL_FUNC) &R_swig_OBInternalCoord__dst_get, 2},
43120    {"R_swig_delete_FastSearchIndexer", (DL_FUNC) &R_swig_delete_FastSearchIndexer, 1},
43121    {"R_swig_delete_OBRingData", (DL_FUNC) &R_swig_delete_OBRingData, 1},
43122    {"R_swig_vectorOBResidue_size", (DL_FUNC) &R_swig_vectorOBResidue_size, 2},
43123    {"R_swig_OBForceField_Default", (DL_FUNC) &R_swig_OBForceField_Default, 1},
43124    {"R_swig_OBChargeModel_Default", (DL_FUNC) &R_swig_OBChargeModel_Default, 1},
43125    {"R_swig_OBOp_Default", (DL_FUNC) &R_swig_OBOp_Default, 1},
43126    {"R_swig_OBDescriptor_Default", (DL_FUNC) &R_swig_OBDescriptor_Default, 1},
43127    {"R_swig_OBFingerprint_Default", (DL_FUNC) &R_swig_OBFingerprint_Default, 1},
43128    {"R_swig_OBFormat_Default", (DL_FUNC) &R_swig_OBFormat_Default, 1},
43129    {"R_swig_OBBuilder_LoadFragments", (DL_FUNC) &R_swig_OBBuilder_LoadFragments, 1},
43130    {"R_swig_OBRotorList_RemoveSymVals", (DL_FUNC) &R_swig_OBRotorList_RemoveSymVals, 2},
43131    {"R_swig_OBMolAtomDFSIter_IsAmideNitrogen", (DL_FUNC) &R_swig_OBMolAtomDFSIter_IsAmideNitrogen, 2},
43132    {"R_swig_OBMolAtomDFSIter_IsNitrogen", (DL_FUNC) &R_swig_OBMolAtomDFSIter_IsNitrogen, 2},
43133    {"R_swig_OBMolAtomIter_IsAmideNitrogen", (DL_FUNC) &R_swig_OBMolAtomIter_IsAmideNitrogen, 2},
43134    {"R_swig_OBMolAtomIter_IsNitrogen", (DL_FUNC) &R_swig_OBMolAtomIter_IsNitrogen, 2},
43135    {"R_swig_OBAtom_IsNitrogen", (DL_FUNC) &R_swig_OBAtom_IsNitrogen, 2},
43136    {"R_swig_OBAtom_IsAmideNitrogen", (DL_FUNC) &R_swig_OBAtom_IsAmideNitrogen, 2},
43137    {"R_swig_vvpairUIntUInt_get_allocator", (DL_FUNC) &R_swig_vvpairUIntUInt_get_allocator, 2},
43138    {"R_swig_OBMolAtomBFSIter_IsNitrogen", (DL_FUNC) &R_swig_OBMolAtomBFSIter_IsNitrogen, 2},
43139    {"R_swig_OBMolAtomBFSIter_IsAmideNitrogen", (DL_FUNC) &R_swig_OBMolAtomBFSIter_IsAmideNitrogen, 2},
43140    {"R_swig_OBAtomAtomIter_IsNitrogen", (DL_FUNC) &R_swig_OBAtomAtomIter_IsNitrogen, 2},
43141    {"R_swig_OBAtomAtomIter_IsAmideNitrogen", (DL_FUNC) &R_swig_OBAtomAtomIter_IsAmideNitrogen, 2},
43142    {"R_swig_OBResidueAtomIter_IsNitrogen", (DL_FUNC) &R_swig_OBResidueAtomIter_IsNitrogen, 2},
43143    {"R_swig_OBResidueAtomIter_IsAmideNitrogen", (DL_FUNC) &R_swig_OBResidueAtomIter_IsAmideNitrogen, 2},
43144    {"R_swig_new_OBRingTyper", (DL_FUNC) &R_swig_new_OBRingTyper, 0},
43145    {"R_swig_delete_OBRingTyper", (DL_FUNC) &R_swig_delete_OBRingTyper, 1},
43146    {"R_swig_AliasData_IsExpanded", (DL_FUNC) &R_swig_AliasData_IsExpanded, 2},
43147    {"R_swig_OBFFCalculation4_force_d_get", (DL_FUNC) &R_swig_OBFFCalculation4_force_d_get, 2},
43148    {"R_swig_OBFFCalculation4_pos_d_get", (DL_FUNC) &R_swig_OBFFCalculation4_pos_d_get, 1},
43149    {"R_swig_OBFFParameter__d_get", (DL_FUNC) &R_swig_OBFFParameter__d_get, 2},
43150    {"R_swig_OBForceField_VectorLengthDerivative", (DL_FUNC) &R_swig_OBForceField_VectorLengthDerivative, 3},
43151    {"R_swig_OBForceField_VectorDistanceDerivative", (DL_FUNC) &R_swig_OBForceField_VectorDistanceDerivative, 5},
43152    {"R_swig_OBForceField_VectorBondDerivative", (DL_FUNC) &R_swig_OBForceField_VectorBondDerivative, 5},
43153    {"R_swig_delete_OBRing", (DL_FUNC) &R_swig_delete_OBRing, 1},
43154    {"R_swig_OBConformerSearch_SetNicheRadius", (DL_FUNC) &R_swig_OBConformerSearch_SetNicheRadius, 2},
43155    {"R_swig_OBConformerSearch_GetNicheRadius", (DL_FUNC) &R_swig_OBConformerSearch_GetNicheRadius, 2},
43156    {"R_swig_OBFFConstraint_factor_set", (DL_FUNC) &R_swig_OBFFConstraint_factor_set, 2},
43157    {"R_swig_OBInternalCoord__tor_set", (DL_FUNC) &R_swig_OBInternalCoord__tor_set, 2},
43158    {"R_swig_OBConformerSearch_GetConformers", (DL_FUNC) &R_swig_OBConformerSearch_GetConformers, 2},
43159    {"R_swig_OBConformerSearch_SetNumConformers", (DL_FUNC) &R_swig_OBConformerSearch_SetNumConformers, 2},
43160    {"R_swig_OBForceField_SetConformers", (DL_FUNC) &R_swig_OBForceField_SetConformers, 3},
43161    {"R_swig_OBForceField_UpdateConformers", (DL_FUNC) &R_swig_OBForceField_UpdateConformers, 3},
43162    {"R_swig_OBForceField_GetConformers", (DL_FUNC) &R_swig_OBForceField_GetConformers, 3},
43163    {"R_swig_OBMol_GetConformers", (DL_FUNC) &R_swig_OBMol_GetConformers, 2},
43164    {"R_swig_OBMol_SetConformers", (DL_FUNC) &R_swig_OBMol_SetConformers, 2},
43165    {"R_swig_OBMol_NumConformers", (DL_FUNC) &R_swig_OBMol_NumConformers, 2},
43166    {"R_swig_OBFFConstraints_AddIgnore", (DL_FUNC) &R_swig_OBFFConstraints_AddIgnore, 2},
43167    {"R_swig_delete_OBIsomorphismMapper", (DL_FUNC) &R_swig_delete_OBIsomorphismMapper, 1},
43168    {"R_swig_OBMol_GetGIVector", (DL_FUNC) &R_swig_OBMol_GetGIVector, 2},
43169    {"R_swig_vector3_createOrthoVector", (DL_FUNC) &R_swig_vector3_createOrthoVector, 3},
43170    {"R_swig_OBPlugin_ListAsVector", (DL_FUNC) &R_swig_OBPlugin_ListAsVector, 4},
43171    {"R_swig_OBRTree_GetAtomIdx", (DL_FUNC) &R_swig_OBRTree_GetAtomIdx, 2},
43172    {"R_swig_OBBond_GetBeginAtomIdx", (DL_FUNC) &R_swig_OBBond_GetBeginAtomIdx, 2},
43173    {"R_swig_OBBond_GetEndAtomIdx", (DL_FUNC) &R_swig_OBBond_GetEndAtomIdx, 2},
43174    {"R_swig_OBBond_GetNbrAtomIdx", (DL_FUNC) &R_swig_OBBond_GetNbrAtomIdx, 3},
43175    {"R_swig_OBMolBondBFSIter_GetBeginAtomIdx", (DL_FUNC) &R_swig_OBMolBondBFSIter_GetBeginAtomIdx, 2},
43176    {"R_swig_OBMolBondBFSIter_GetEndAtomIdx", (DL_FUNC) &R_swig_OBMolBondBFSIter_GetEndAtomIdx, 2},
43177    {"R_swig_OBMolBondBFSIter_GetNbrAtomIdx", (DL_FUNC) &R_swig_OBMolBondBFSIter_GetNbrAtomIdx, 3},
43178    {"R_swig_OBMolBondIter_GetBeginAtomIdx", (DL_FUNC) &R_swig_OBMolBondIter_GetBeginAtomIdx, 2},
43179    {"R_swig_OBMolBondIter_GetEndAtomIdx", (DL_FUNC) &R_swig_OBMolBondIter_GetEndAtomIdx, 2},
43180    {"R_swig_OBMolBondIter_GetNbrAtomIdx", (DL_FUNC) &R_swig_OBMolBondIter_GetNbrAtomIdx, 3},
43181    {"R_swig_OBAtomBondIter_GetBeginAtomIdx", (DL_FUNC) &R_swig_OBAtomBondIter_GetBeginAtomIdx, 2},
43182    {"R_swig_OBAtomBondIter_GetEndAtomIdx", (DL_FUNC) &R_swig_OBAtomBondIter_GetEndAtomIdx, 2},
43183    {"R_swig_OBAtomBondIter_GetNbrAtomIdx", (DL_FUNC) &R_swig_OBAtomBondIter_GetNbrAtomIdx, 3},
43184    {"R_swig_OBMolAtomDFSIter_UnsetStereo", (DL_FUNC) &R_swig_OBMolAtomDFSIter_UnsetStereo, 1},
43185    {"R_swig_OBMolAtomIter_UnsetStereo", (DL_FUNC) &R_swig_OBMolAtomIter_UnsetStereo, 1},
43186    {"R_swig_OBSpectrophore_GetStereo", (DL_FUNC) &R_swig_OBSpectrophore_GetStereo, 2},
43187    {"R_swig_OBStereoFacade_GetSquarePlanarStereo", (DL_FUNC) &R_swig_OBStereoFacade_GetSquarePlanarStereo, 2},
43188    {"R_swig_OBStereoFacade_HasSquarePlanarStereo", (DL_FUNC) &R_swig_OBStereoFacade_HasSquarePlanarStereo, 3},
43189    {"R_swig_OBStereoFacade_NumSquarePlanarStereo", (DL_FUNC) &R_swig_OBStereoFacade_NumSquarePlanarStereo, 2},
43190    {"R_swig_OBStereoFacade_GetTetrahedralStereo", (DL_FUNC) &R_swig_OBStereoFacade_GetTetrahedralStereo, 2},
43191    {"R_swig_OBStereoFacade_HasTetrahedralStereo", (DL_FUNC) &R_swig_OBStereoFacade_HasTetrahedralStereo, 3},
43192    {"R_swig_OBStereoFacade_NumTetrahedralStereo", (DL_FUNC) &R_swig_OBStereoFacade_NumTetrahedralStereo, 2},
43193    {"R_swig_delete_OBStereo", (DL_FUNC) &R_swig_delete_OBStereo, 1},
43194    {"R_swig_new_OBStereo", (DL_FUNC) &R_swig_new_OBStereo, 0},
43195    {"R_swig_OBVirtualBond_GetStereo", (DL_FUNC) &R_swig_OBVirtualBond_GetStereo, 2},
43196    {"R_swig_OBAtom_UnsetStereo", (DL_FUNC) &R_swig_OBAtom_UnsetStereo, 1},
43197    {"R_swig_OBMolAtomBFSIter_UnsetStereo", (DL_FUNC) &R_swig_OBMolAtomBFSIter_UnsetStereo, 1},
43198    {"R_swig_OBAtomAtomIter_UnsetStereo", (DL_FUNC) &R_swig_OBAtomAtomIter_UnsetStereo, 1},
43199    {"R_swig_OBResidueAtomIter_UnsetStereo", (DL_FUNC) &R_swig_OBResidueAtomIter_UnsetStereo, 1},
43200    {"R_swig_delete_OBTetraNonPlanarStereo", (DL_FUNC) &R_swig_delete_OBTetraNonPlanarStereo, 1},
43201    {"R_swig_delete_OBTetraPlanarStereo", (DL_FUNC) &R_swig_delete_OBTetraPlanarStereo, 1},
43202    {"R_swig_new_OBTetrahedralStereo", (DL_FUNC) &R_swig_new_OBTetrahedralStereo, 1},
43203    {"R_swig_delete_OBTetrahedralStereo", (DL_FUNC) &R_swig_delete_OBTetrahedralStereo, 1},
43204    {"R_swig_new_OBSquarePlanarStereo", (DL_FUNC) &R_swig_new_OBSquarePlanarStereo, 1},
43205    {"R_swig_delete_OBSquarePlanarStereo", (DL_FUNC) &R_swig_delete_OBSquarePlanarStereo, 1},
43206    {"R_swig_new_OBAtom", (DL_FUNC) &R_swig_new_OBAtom, 0},
43207    {"R_swig_delete_OBAtom", (DL_FUNC) &R_swig_delete_OBAtom, 1},
43208    {"R_swig_new_OBOrbital", (DL_FUNC) &R_swig_new_OBOrbital, 0},
43209    {"R_swig_delete_OBOrbital", (DL_FUNC) &R_swig_delete_OBOrbital, 1},
43210    {"R_swig_Tanimoto", (DL_FUNC) &R_swig_Tanimoto, 3},
43211    {"R_swig_OBMolAtomDFSIter_IsHbondDonor", (DL_FUNC) &R_swig_OBMolAtomDFSIter_IsHbondDonor, 2},
43212    {"R_swig_OBMolAtomIter_IsHbondDonor", (DL_FUNC) &R_swig_OBMolAtomIter_IsHbondDonor, 2},
43213    {"R_swig_OBAtom_IsHbondDonor", (DL_FUNC) &R_swig_OBAtom_IsHbondDonor, 2},
43214    {"R_swig_OBMolAtomBFSIter_IsHbondDonor", (DL_FUNC) &R_swig_OBMolAtomBFSIter_IsHbondDonor, 2},
43215    {"R_swig_OBAtomAtomIter_IsHbondDonor", (DL_FUNC) &R_swig_OBAtomAtomIter_IsHbondDonor, 2},
43216    {"R_swig_OBResidueAtomIter_IsHbondDonor", (DL_FUNC) &R_swig_OBResidueAtomIter_IsHbondDonor, 2},
43217    {"R_swig_OBFFConstraint_gradd_set", (DL_FUNC) &R_swig_OBFFConstraint_gradd_set, 2},
43218    {"R_swig_OBFreeGrid_NextPoint", (DL_FUNC) &R_swig_OBFreeGrid_NextPoint, 2},
43219    {"R_swig_OBBitVec_BitIsOn", (DL_FUNC) &R_swig_OBBitVec_BitIsOn, 3},
43220    {"R_swig_OBMolAtomIter_ClassDescription", (DL_FUNC) &R_swig_OBMolAtomIter_ClassDescription, 1},
43221    {"R_swig_OBMol_ClassDescription", (DL_FUNC) &R_swig_OBMol_ClassDescription, 0},
43222    {"R_swig_OBBase_ClassDescription", (DL_FUNC) &R_swig_OBBase_ClassDescription, 0},
43223    {"R_swig_OBPlugin_Description", (DL_FUNC) &R_swig_OBPlugin_Description, 1},
43224    {"R_swig_OBFormat_TargetClassDescription", (DL_FUNC) &R_swig_OBFormat_TargetClassDescription, 1},
43225    {"R_swig_OBConversion_Description", (DL_FUNC) &R_swig_OBConversion_Description, 0},
43226    {"R_swig_OBReaction_ClassDescription", (DL_FUNC) &R_swig_OBReaction_ClassDescription, 0},
43227    {"R_swig_OBMolAtomDFSIter_ClassDescription", (DL_FUNC) &R_swig_OBMolAtomDFSIter_ClassDescription, 1},
43228    {"R_swig_OBMolAtomBFSIter_ClassDescription", (DL_FUNC) &R_swig_OBMolAtomBFSIter_ClassDescription, 1},
43229    {"R_swig_OBMolBondBFSIter_ClassDescription", (DL_FUNC) &R_swig_OBMolBondBFSIter_ClassDescription, 1},
43230    {"R_swig_OBMolBondIter_ClassDescription", (DL_FUNC) &R_swig_OBMolBondIter_ClassDescription, 1},
43231    {"R_swig_OBAtomAtomIter_ClassDescription", (DL_FUNC) &R_swig_OBAtomAtomIter_ClassDescription, 1},
43232    {"R_swig_OBAtomBondIter_ClassDescription", (DL_FUNC) &R_swig_OBAtomBondIter_ClassDescription, 1},
43233    {"R_swig_OBResidueIter_ClassDescription", (DL_FUNC) &R_swig_OBResidueIter_ClassDescription, 1},
43234    {"R_swig_OBResidueAtomIter_ClassDescription", (DL_FUNC) &R_swig_OBResidueAtomIter_ClassDescription, 1},
43235    {"R_swig_OBConformerScore_GetPreferred", (DL_FUNC) &R_swig_OBConformerScore_GetPreferred, 2},
43236    {"R_swig_OBTetrahedralConfig_specified_get", (DL_FUNC) &R_swig_OBTetrahedralConfig_specified_get, 2},
43237    {"R_swig_OBCisTransConfig_specified_get", (DL_FUNC) &R_swig_OBCisTransConfig_specified_get, 2},
43238    {"R_swig_OBSquarePlanarConfig_specified_get", (DL_FUNC) &R_swig_OBSquarePlanarConfig_specified_get, 2},
43239    {"R_swig_delete_OBConformerData", (DL_FUNC) &R_swig_delete_OBConformerData, 1},
43240    {"R_swig_toConformerData", (DL_FUNC) &R_swig_toConformerData, 1},
43241    {"R_swig_delete_OBAtomicHeatOfFormationTable", (DL_FUNC) &R_swig_delete_OBAtomicHeatOfFormationTable, 1},
43242    {"R_swig_new_OBAtomicHeatOfFormationTable", (DL_FUNC) &R_swig_new_OBAtomicHeatOfFormationTable, 0},
43243    {"R_swig_OBAlign_SetTarget", (DL_FUNC) &R_swig_OBAlign_SetTarget, 2},
43244    {"R_swig_OBFreeGrid_BeginPoints", (DL_FUNC) &R_swig_OBFreeGrid_BeginPoints, 2},
43245    {"R_swig_OBFreeGrid_EndPoints", (DL_FUNC) &R_swig_OBFreeGrid_EndPoints, 2},
43246    {"R_swig_OBGridData_SetNumberOfPoints", (DL_FUNC) &R_swig_OBGridData_SetNumberOfPoints, 4},
43247    {"R_swig_OBMol_DestroyBond", (DL_FUNC) &R_swig_OBMol_DestroyBond, 2},
43248    {"R_swig_OBFFCalculation2_force_b_set", (DL_FUNC) &R_swig_OBFFCalculation2_force_b_set, 2},
43249    {"R_swig_OBFFCalculation2_pos_b_set", (DL_FUNC) &R_swig_OBFFCalculation2_pos_b_set, 2},
43250    {"R_swig_OBFFParameter__b_set", (DL_FUNC) &R_swig_OBFFParameter__b_set, 2},
43251    {"R_swig_OBInternalCoord__b_set", (DL_FUNC) &R_swig_OBInternalCoord__b_set, 2},
43252    {"R_swig_OBBitVec_CountBits", (DL_FUNC) &R_swig_OBBitVec_CountBits, 2},
43253    {"R_swig_FastSearch_Find", (DL_FUNC) &R_swig_FastSearch_Find, 5},
43254    {"R_swig_FptIndexHeader_headerlength_set", (DL_FUNC) &R_swig_FptIndexHeader_headerlength_set, 2},
43255    {"R_swig_OBRing__path_set", (DL_FUNC) &R_swig_OBRing__path_set, 2},
43256    {"R_swig_OBMolRingIter__path_set", (DL_FUNC) &R_swig_OBMolRingIter__path_set, 2},
43257    {"R_swig_matrix3x3_GetColumn", (DL_FUNC) &R_swig_matrix3x3_GetColumn, 3},
43258    {"R_swig_matrix3x3_SetColumn", (DL_FUNC) &R_swig_matrix3x3_SetColumn, 3},
43259    {"R_swig_OBForceField_VectorOOP", (DL_FUNC) &R_swig_OBForceField_VectorOOP, 5},
43260    {"R_swig_vvpairUIntUInt_empty", (DL_FUNC) &R_swig_vvpairUIntUInt_empty, 2},
43261    {"R_swig_OBForceField_VectorAdd", (DL_FUNC) &R_swig_OBForceField_VectorAdd, 3},
43262    {"R_swig_delete_OBCommentData", (DL_FUNC) &R_swig_delete_OBCommentData, 1},
43263    {"R_swig_toCommentData", (DL_FUNC) &R_swig_toCommentData, 1},
43264    {"R_swig_OBRotamerList_GetReferenceArray", (DL_FUNC) &R_swig_OBRotamerList_GetReferenceArray, 2},
43265    {"R_swig_OBElectronicTransitionData_SetEDipole", (DL_FUNC) &R_swig_OBElectronicTransitionData_SetEDipole, 2},
43266    {"R_swig_OBElectronicTransitionData_GetEDipole", (DL_FUNC) &R_swig_OBElectronicTransitionData_GetEDipole, 2},
43267    {"R_swig_delete_OBMolPairIter", (DL_FUNC) &R_swig_delete_OBMolPairIter, 1},
43268    {"R_swig_OBFFConstraint_id_get", (DL_FUNC) &R_swig_OBFFConstraint_id_get, 2},
43269    {"R_swig_OBStereoUnit_id_get", (DL_FUNC) &R_swig_OBStereoUnit_id_get, 2},
43270    {"R_swig_OBRing_ring_id_get", (DL_FUNC) &R_swig_OBRing_ring_id_get, 2},
43271    {"R_swig_OBSqrtTbl_Init", (DL_FUNC) &R_swig_OBSqrtTbl_Init, 3},
43272    {"R_swig_OBMolRingIter_ring_id_get", (DL_FUNC) &R_swig_OBMolRingIter_ring_id_get, 2},
43273    {"R_swig_delete_OBMolAtomIter", (DL_FUNC) &R_swig_delete_OBMolAtomIter, 1},
43274    {"R_swig_delete_OBAtomAtomIter", (DL_FUNC) &R_swig_delete_OBAtomAtomIter, 1},
43275    {"R_swig_delete_OBResidueAtomIter", (DL_FUNC) &R_swig_delete_OBResidueAtomIter, 1},
43276    {"R_swig_OBMolAtomDFSIter_x", (DL_FUNC) &R_swig_OBMolAtomDFSIter_x, 2},
43277    {"R_swig_OBMolAtomIter_x", (DL_FUNC) &R_swig_OBMolAtomIter_x, 2},
43278    {"R_swig_OBRandom_Seed", (DL_FUNC) &R_swig_OBRandom_Seed, 2},
43279    {"R_swig_OBMolAtomBFSIter_x", (DL_FUNC) &R_swig_OBMolAtomBFSIter_x, 2},
43280    {"R_swig_OBAtomAtomIter_x", (DL_FUNC) &R_swig_OBAtomAtomIter_x, 2},
43281    {"R_swig_OBResidueAtomIter_x", (DL_FUNC) &R_swig_OBResidueAtomIter_x, 2},
43282    {"R_swig_OBMolAtomDFSIter_y", (DL_FUNC) &R_swig_OBMolAtomDFSIter_y, 2},
43283    {"R_swig_OBMolAtomIter_y", (DL_FUNC) &R_swig_OBMolAtomIter_y, 2},
43284    {"R_swig_OBMolAtomBFSIter_y", (DL_FUNC) &R_swig_OBMolAtomBFSIter_y, 2},
43285    {"R_swig_OBAtomAtomIter_y", (DL_FUNC) &R_swig_OBAtomAtomIter_y, 2},
43286    {"R_swig_OBResidueAtomIter_y", (DL_FUNC) &R_swig_OBResidueAtomIter_y, 2},
43287    {"R_swig_OBMolAtomDFSIter___deref__", (DL_FUNC) &R_swig_OBMolAtomDFSIter___deref__, 1},
43288    {"R_swig_OBMolAtomIter___deref__", (DL_FUNC) &R_swig_OBMolAtomIter___deref__, 1},
43289    {"R_swig_FptIndexHeader_nEntries_set", (DL_FUNC) &R_swig_FptIndexHeader_nEntries_set, 2},
43290    {"R_swig_OBMolAtomDFSIter_z", (DL_FUNC) &R_swig_OBMolAtomDFSIter_z, 2},
43291    {"R_swig_OBMolAtomIter_z", (DL_FUNC) &R_swig_OBMolAtomIter_z, 2},
43292    {"R_swig_OBMolAtomBFSIter___deref__", (DL_FUNC) &R_swig_OBMolAtomBFSIter___deref__, 1},
43293    {"R_swig_OBMolAtomBFSIter_z", (DL_FUNC) &R_swig_OBMolAtomBFSIter_z, 2},
43294    {"R_swig_OBMolBondBFSIter___deref__", (DL_FUNC) &R_swig_OBMolBondBFSIter___deref__, 1},
43295    {"R_swig_OBMolBondIter___deref__", (DL_FUNC) &R_swig_OBMolBondIter___deref__, 1},
43296    {"R_swig_OBAtomAtomIter___deref__", (DL_FUNC) &R_swig_OBAtomAtomIter___deref__, 1},
43297    {"R_swig_OBAtomAtomIter_z", (DL_FUNC) &R_swig_OBAtomAtomIter_z, 2},
43298    {"R_swig_OBAtomBondIter___deref__", (DL_FUNC) &R_swig_OBAtomBondIter___deref__, 1},
43299    {"R_swig_OBResidueIter___deref__", (DL_FUNC) &R_swig_OBResidueIter___deref__, 1},
43300    {"R_swig_OBResidueAtomIter___deref__", (DL_FUNC) &R_swig_OBResidueAtomIter___deref__, 1},
43301    {"R_swig_OBResidueAtomIter_z", (DL_FUNC) &R_swig_OBResidueAtomIter_z, 2},
43302    {"R_swig_OBMolRingIter___deref__", (DL_FUNC) &R_swig_OBMolRingIter___deref__, 1},
43303    {"R_swig_delete_OBPairData", (DL_FUNC) &R_swig_delete_OBPairData, 1},
43304    {"R_swig_new_OBPairData", (DL_FUNC) &R_swig_new_OBPairData, 0},
43305    {"R_swig_toPairData", (DL_FUNC) &R_swig_toPairData, 1},
43306    {"R_swig_OBUnitCell_SetLatticeType", (DL_FUNC) &R_swig_OBUnitCell_SetLatticeType, 2},
43307    {"R_swig_OBTetrahedralConfig_refs_get", (DL_FUNC) &R_swig_OBTetrahedralConfig_refs_get, 2},
43308    {"R_swig_OBCisTransConfig_refs_get", (DL_FUNC) &R_swig_OBCisTransConfig_refs_get, 2},
43309    {"R_swig_OBSquarePlanarConfig_refs_get", (DL_FUNC) &R_swig_OBSquarePlanarConfig_refs_get, 2},
43310    {"R_swig_OBForceField_MolecularDynamicsTakeNSteps__SWIG_2", (DL_FUNC) &R_swig_OBForceField_MolecularDynamicsTakeNSteps__SWIG_2, 3},
43311    {"R_swig_OBForceField_MolecularDynamicsTakeNSteps__SWIG_1", (DL_FUNC) &R_swig_OBForceField_MolecularDynamicsTakeNSteps__SWIG_1, 4},
43312    {"R_swig_OBForceField_MolecularDynamicsTakeNSteps__SWIG_0", (DL_FUNC) &R_swig_OBForceField_MolecularDynamicsTakeNSteps__SWIG_0, 5},
43313    {"R_swig_OBSmartsPattern_EndMList", (DL_FUNC) &R_swig_OBSmartsPattern_EndMList, 2},
43314    {"R_swig_OBRotorList_SetQuiet", (DL_FUNC) &R_swig_OBRotorList_SetQuiet, 1},
43315    {"R_swig_OBConversion_RemoveOption", (DL_FUNC) &R_swig_OBConversion_RemoveOption, 4},
43316    {"R_swig_OBFFConstraint_gradb_get", (DL_FUNC) &R_swig_OBFFConstraint_gradb_get, 2},
43317    {"R_swig_OBAromaticTyper_TraverseCycle", (DL_FUNC) &R_swig_OBAromaticTyper_TraverseCycle, 7},
43318    {"R_swig_OBReaction_NumProducts", (DL_FUNC) &R_swig_OBReaction_NumProducts, 2},
43319    {"R_swig_vvpairUIntUInt_reserve", (DL_FUNC) &R_swig_vvpairUIntUInt_reserve, 2},
43320    {"R_swig_OBFormat_ReadChemObject", (DL_FUNC) &R_swig_OBFormat_ReadChemObject, 3},
43321    {"R_swig_OBFormat_WriteChemObject", (DL_FUNC) &R_swig_OBFormat_WriteChemObject, 3},
43322    {"R_swig_OBConversion_AddChemObject", (DL_FUNC) &R_swig_OBConversion_AddChemObject, 3},
43323    {"R_swig_OBConversion_GetChemObject", (DL_FUNC) &R_swig_OBConversion_GetChemObject, 1},
43324    {"R_swig_OBAtom_x", (DL_FUNC) &R_swig_OBAtom_x, 2},
43325    {"R_swig_OBAtom_y", (DL_FUNC) &R_swig_OBAtom_y, 2},
43326    {"R_swig_OBAtom_z", (DL_FUNC) &R_swig_OBAtom_z, 2},
43327    {"R_swig_OBRotorList_IsFixedBond", (DL_FUNC) &R_swig_OBRotorList_IsFixedBond, 3},
43328    {"R_swig_OBBond_Set", (DL_FUNC) &R_swig_OBBond_Set, 6},
43329    {"R_swig_new_OBFFCalculation2", (DL_FUNC) &R_swig_new_OBFFCalculation2, 0},
43330    {"R_swig_delete_OBFFCalculation2", (DL_FUNC) &R_swig_delete_OBFFCalculation2, 1},
43331    {"R_swig_new_OBFFCalculation3", (DL_FUNC) &R_swig_new_OBFFCalculation3, 0},
43332    {"R_swig_delete_OBFFCalculation3", (DL_FUNC) &R_swig_delete_OBFFCalculation3, 1},
43333    {"R_swig_new_OBFFCalculation4", (DL_FUNC) &R_swig_new_OBFFCalculation4, 0},
43334    {"R_swig_delete_OBFFCalculation4", (DL_FUNC) &R_swig_delete_OBFFCalculation4, 1},
43335    {"R_swig_OBRotorKeys_GetKey", (DL_FUNC) &R_swig_OBRotorKeys_GetKey, 2},
43336    {"R_swig_vectorOBRing___nonzero__", (DL_FUNC) &R_swig_vectorOBRing___nonzero__, 2},
43337    {"R_swig_vectorOBResidue___nonzero__", (DL_FUNC) &R_swig_vectorOBResidue___nonzero__, 2},
43338    {"R_swig_vectorOBBond___nonzero__", (DL_FUNC) &R_swig_vectorOBBond___nonzero__, 2},
43339    {"R_swig_vectorOBMol___nonzero__", (DL_FUNC) &R_swig_vectorOBMol___nonzero__, 2},
43340    {"R_swig_vectorvVector3___nonzero__", (DL_FUNC) &R_swig_vectorvVector3___nonzero__, 2},
43341    {"R_swig_vectorVector3___nonzero__", (DL_FUNC) &R_swig_vectorVector3___nonzero__, 2},
43342    {"R_swig_vectorUnsignedInt___nonzero__", (DL_FUNC) &R_swig_vectorUnsignedInt___nonzero__, 2},
43343    {"R_swig_vectorInt___nonzero__", (DL_FUNC) &R_swig_vectorInt___nonzero__, 2},
43344    {"R_swig_vectorvInt___nonzero__", (DL_FUNC) &R_swig_vectorvInt___nonzero__, 2},
43345    {"R_swig_vectorDouble___nonzero__", (DL_FUNC) &R_swig_vectorDouble___nonzero__, 2},
43346    {"R_swig_vectorString___nonzero__", (DL_FUNC) &R_swig_vectorString___nonzero__, 2},
43347    {"R_swig_vectorpOBRing___nonzero__", (DL_FUNC) &R_swig_vectorpOBRing___nonzero__, 2},
43348    {"R_swig_vectorpOBGenericData___nonzero__", (DL_FUNC) &R_swig_vectorpOBGenericData___nonzero__, 2},
43349    {"R_swig_vectorpOBInternalCoord___nonzero__", (DL_FUNC) &R_swig_vectorpOBInternalCoord___nonzero__, 2},
43350    {"R_swig_vpairUIntUInt___nonzero__", (DL_FUNC) &R_swig_vpairUIntUInt___nonzero__, 2},
43351    {"R_swig_vvpairUIntUInt___nonzero__", (DL_FUNC) &R_swig_vvpairUIntUInt___nonzero__, 2},
43352    {"R_swig_OBUnitCell_FillUnitCell", (DL_FUNC) &R_swig_OBUnitCell_FillUnitCell, 2},
43353    {"R_swig_delete_OBUnitCell", (DL_FUNC) &R_swig_delete_OBUnitCell, 1},
43354    {"R_swig_toUnitCell", (DL_FUNC) &R_swig_toUnitCell, 1},
43355    {"R_swig_OBRotorRule_GetReferenceAtoms", (DL_FUNC) &R_swig_OBRotorRule_GetReferenceAtoms, 2},
43356    {"R_swig_cross", (DL_FUNC) &R_swig_cross, 3},
43357    {"R_swig_OBRingSearch_BeginRings", (DL_FUNC) &R_swig_OBRingSearch_BeginRings, 2},
43358    {"R_swig_OBRingData_BeginRings", (DL_FUNC) &R_swig_OBRingData_BeginRings, 2},
43359    {"R_swig_OBMolAtomDFSIter_GetAtomicNum", (DL_FUNC) &R_swig_OBMolAtomDFSIter_GetAtomicNum, 2},
43360    {"R_swig_OBMolAtomDFSIter_SetAtomicNum", (DL_FUNC) &R_swig_OBMolAtomDFSIter_SetAtomicNum, 2},
43361    {"R_swig_OBMolAtomIter_GetAtomicNum", (DL_FUNC) &R_swig_OBMolAtomIter_GetAtomicNum, 2},
43362    {"R_swig_OBMolAtomIter_SetAtomicNum", (DL_FUNC) &R_swig_OBMolAtomIter_SetAtomicNum, 2},
43363    {"R_swig_OBSmartsPattern_GetAtomicNum", (DL_FUNC) &R_swig_OBSmartsPattern_GetAtomicNum, 3},
43364    {"R_swig_OBElement_GetAtomicNum", (DL_FUNC) &R_swig_OBElement_GetAtomicNum, 2},
43365    {"R_swig_OBAtom_SetAtomicNum", (DL_FUNC) &R_swig_OBAtom_SetAtomicNum, 2},
43366    {"R_swig_OBAtom_GetAtomicNum", (DL_FUNC) &R_swig_OBAtom_GetAtomicNum, 2},
43367    {"R_swig_OBMolAtomBFSIter_SetAtomicNum", (DL_FUNC) &R_swig_OBMolAtomBFSIter_SetAtomicNum, 2},
43368    {"R_swig_OBMolAtomBFSIter_GetAtomicNum", (DL_FUNC) &R_swig_OBMolAtomBFSIter_GetAtomicNum, 2},
43369    {"R_swig_OBAtomAtomIter_SetAtomicNum", (DL_FUNC) &R_swig_OBAtomAtomIter_SetAtomicNum, 2},
43370    {"R_swig_OBAtomAtomIter_GetAtomicNum", (DL_FUNC) &R_swig_OBAtomAtomIter_GetAtomicNum, 2},
43371    {"R_swig_OBResidueAtomIter_SetAtomicNum", (DL_FUNC) &R_swig_OBResidueAtomIter_SetAtomicNum, 2},
43372    {"R_swig_OBResidueAtomIter_GetAtomicNum", (DL_FUNC) &R_swig_OBResidueAtomIter_GetAtomicNum, 2},
43373    {"R_swig_pairUIntUInt_second_set", (DL_FUNC) &R_swig_pairUIntUInt_second_set, 2},
43374    {"R_swig_OBCisTransStereo_IsOnSameAtom", (DL_FUNC) &R_swig_OBCisTransStereo_IsOnSameAtom, 4},
43375    {"R_swig_OBCisTransConfig_end_set", (DL_FUNC) &R_swig_OBCisTransConfig_end_set, 2},
43376    {"R_swig_SpaceGroup_Find", (DL_FUNC) &R_swig_SpaceGroup_Find, 1},
43377    {"R_swig_StereoRefToImplicit", (DL_FUNC) &R_swig_StereoRefToImplicit, 2},
43378    {"R_swig_OBForceField_VectorLength", (DL_FUNC) &R_swig_OBForceField_VectorLength, 2},
43379    {"R_swig_OBRotor_CalcBondLength", (DL_FUNC) &R_swig_OBRotor_CalcBondLength, 3},
43380    {"R_swig_vector3_length", (DL_FUNC) &R_swig_vector3_length, 2},
43381    {"R_swig_OBBond_GetEquibLength", (DL_FUNC) &R_swig_OBBond_GetEquibLength, 2},
43382    {"R_swig_OBBond_GetLength", (DL_FUNC) &R_swig_OBBond_GetLength, 2},
43383    {"R_swig_OBMolBondBFSIter_GetEquibLength", (DL_FUNC) &R_swig_OBMolBondBFSIter_GetEquibLength, 2},
43384    {"R_swig_OBMolBondBFSIter_GetLength", (DL_FUNC) &R_swig_OBMolBondBFSIter_GetLength, 2},
43385    {"R_swig_OBMolBondIter_GetEquibLength", (DL_FUNC) &R_swig_OBMolBondIter_GetEquibLength, 2},
43386    {"R_swig_OBMolBondIter_GetLength", (DL_FUNC) &R_swig_OBMolBondIter_GetLength, 2},
43387    {"R_swig_OBAtomBondIter_GetEquibLength", (DL_FUNC) &R_swig_OBAtomBondIter_GetEquibLength, 2},
43388    {"R_swig_OBAtomBondIter_GetLength", (DL_FUNC) &R_swig_OBAtomBondIter_GetLength, 2},
43389    {"R_swig_OBForceField_ValidateSteepestDescent", (DL_FUNC) &R_swig_OBForceField_ValidateSteepestDescent, 2},
43390    {"R_swig_OBGridData_GetNumberOfSteps", (DL_FUNC) &R_swig_OBGridData_GetNumberOfSteps, 2},
43391    {"R_swig_OBForceField_GetLogLevel", (DL_FUNC) &R_swig_OBForceField_GetLogLevel, 2},
43392    {"R_swig_OBForceField_SetLogLevel", (DL_FUNC) &R_swig_OBForceField_SetLogLevel, 3},
43393    {"R_swig_OBForceField_LineSearchTakeStep", (DL_FUNC) &R_swig_OBForceField_LineSearchTakeStep, 4},
43394    {"R_swig_OBBuilder_UnsetKeepRings", (DL_FUNC) &R_swig_OBBuilder_UnsetKeepRings, 1},
43395    {"R_swig_OBBuilder_SetKeepRings", (DL_FUNC) &R_swig_OBBuilder_SetKeepRings, 1},
43396    {"R_swig_OBFFConstraint_ib_set", (DL_FUNC) &R_swig_OBFFConstraint_ib_set, 2},
43397    {"R_swig_vector3_CanBeNormalized", (DL_FUNC) &R_swig_vector3_CanBeNormalized, 2},
43398    {"R_swig_OBAtomHOF_Method", (DL_FUNC) &R_swig_OBAtomHOF_Method, 2},
43399    {"R_swig_OBRotamerList_ExpandConformerList", (DL_FUNC) &R_swig_OBRotamerList_ExpandConformerList, 3},
43400    {"R_swig_OBRotamerList_CreateConformerList", (DL_FUNC) &R_swig_OBRotamerList_CreateConformerList, 3},
43401    {"R_swig_delete_OBRotamerList", (DL_FUNC) &R_swig_delete_OBRotamerList, 1},
43402    {"R_swig_new_OBRotamerList", (DL_FUNC) &R_swig_new_OBRotamerList, 0},
43403    {"R_swig_toRotamerList", (DL_FUNC) &R_swig_toRotamerList, 1},
43404    {"R_swig_OBMol_NextInternalCoord", (DL_FUNC) &R_swig_OBMol_NextInternalCoord, 2},
43405    {"R_swig_OBMol_BeginInternalCoord", (DL_FUNC) &R_swig_OBMol_BeginInternalCoord, 2},
43406    {"R_swig_OBMol_SetInternalCoord", (DL_FUNC) &R_swig_OBMol_SetInternalCoord, 2},
43407    {"R_swig_OBMol_GetInternalCoord", (DL_FUNC) &R_swig_OBMol_GetInternalCoord, 2},
43408    {"R_swig_delete_vectorpOBInternalCoord", (DL_FUNC) &R_swig_delete_vectorpOBInternalCoord, 1},
43409    {"R_swig_delete_OBInternalCoord", (DL_FUNC) &R_swig_delete_OBInternalCoord, 1},
43410    {"R_swig_vector3_Get", (DL_FUNC) &R_swig_vector3_Get, 2},
43411    {"R_swig_OBForceField_SetupCalculations", (DL_FUNC) &R_swig_OBForceField_SetupCalculations, 2},
43412    {"R_swig_Point2PlaneSigned", (DL_FUNC) &R_swig_Point2PlaneSigned, 5},
43413    {"R_swig_OBRingSearch_SaveUniqueRing", (DL_FUNC) &R_swig_OBRingSearch_SaveUniqueRing, 4},
43414    {"R_swig_OBBond_IsCarbonyl", (DL_FUNC) &R_swig_OBBond_IsCarbonyl, 2},
43415    {"R_swig_OBMolBondBFSIter_IsCarbonyl", (DL_FUNC) &R_swig_OBMolBondBFSIter_IsCarbonyl, 2},
43416    {"R_swig_OBMolBondIter_IsCarbonyl", (DL_FUNC) &R_swig_OBMolBondIter_IsCarbonyl, 2},
43417    {"R_swig_OBAtomBondIter_IsCarbonyl", (DL_FUNC) &R_swig_OBAtomBondIter_IsCarbonyl, 2},
43418    {"R_swig_OBForceField_CorrectVelocities", (DL_FUNC) &R_swig_OBForceField_CorrectVelocities, 1},
43419    {"R_swig_OBForceField_GenerateVelocities", (DL_FUNC) &R_swig_OBForceField_GenerateVelocities, 1},
43420    {"R_swig_OBForceField_PrintVelocities", (DL_FUNC) &R_swig_OBForceField_PrintVelocities, 1},
43421    {"R_swig_OBConformerData_GetVelocities", (DL_FUNC) &R_swig_OBConformerData_GetVelocities, 2},
43422    {"R_swig_OBConformerData_SetVelocities", (DL_FUNC) &R_swig_OBConformerData_SetVelocities, 2},
43423    {"R_swig_OBMol_HasChainsPerceived", (DL_FUNC) &R_swig_OBMol_HasChainsPerceived, 2},
43424    {"R_swig_OBMol_HasClosureBondsPerceived", (DL_FUNC) &R_swig_OBMol_HasClosureBondsPerceived, 2},
43425    {"R_swig_OBMol_HasKekulePerceived", (DL_FUNC) &R_swig_OBMol_HasKekulePerceived, 2},
43426    {"R_swig_OBMol_HasImplicitValencePerceived", (DL_FUNC) &R_swig_OBMol_HasImplicitValencePerceived, 2},
43427    {"R_swig_OBMol_HasHybridizationPerceived", (DL_FUNC) &R_swig_OBMol_HasHybridizationPerceived, 2},
43428    {"R_swig_OBMol_HasPartialChargesPerceived", (DL_FUNC) &R_swig_OBMol_HasPartialChargesPerceived, 2},
43429    {"R_swig_OBMol_HasChiralityPerceived", (DL_FUNC) &R_swig_OBMol_HasChiralityPerceived, 2},
43430    {"R_swig_OBMol_HasRingTypesPerceived", (DL_FUNC) &R_swig_OBMol_HasRingTypesPerceived, 2},
43431    {"R_swig_OBMol_HasAtomTypesPerceived", (DL_FUNC) &R_swig_OBMol_HasAtomTypesPerceived, 2},
43432    {"R_swig_OBMol_HasRingAtomsAndBondsPerceived", (DL_FUNC) &R_swig_OBMol_HasRingAtomsAndBondsPerceived, 2},
43433    {"R_swig_OBMol_HasLSSRPerceived", (DL_FUNC) &R_swig_OBMol_HasLSSRPerceived, 2},
43434    {"R_swig_OBMol_HasSSSRPerceived", (DL_FUNC) &R_swig_OBMol_HasSSSRPerceived, 2},
43435    {"R_swig_OBMol_HasAromaticPerceived", (DL_FUNC) &R_swig_OBMol_HasAromaticPerceived, 2},
43436    {"R_swig_OBMol_UnsetImplicitValencePerceived", (DL_FUNC) &R_swig_OBMol_UnsetImplicitValencePerceived, 1},
43437    {"R_swig_OBMol_UnsetPartialChargesPerceived", (DL_FUNC) &R_swig_OBMol_UnsetPartialChargesPerceived, 1},
43438    {"R_swig_OBMol_UnsetRingTypesPerceived", (DL_FUNC) &R_swig_OBMol_UnsetRingTypesPerceived, 1},
43439    {"R_swig_OBMol_UnsetLSSRPerceived", (DL_FUNC) &R_swig_OBMol_UnsetLSSRPerceived, 1},
43440    {"R_swig_OBMol_UnsetSSSRPerceived", (DL_FUNC) &R_swig_OBMol_UnsetSSSRPerceived, 1},
43441    {"R_swig_OBMol_UnsetAromaticPerceived", (DL_FUNC) &R_swig_OBMol_UnsetAromaticPerceived, 1},
43442    {"R_swig_OBMol_SetClosureBondsPerceived", (DL_FUNC) &R_swig_OBMol_SetClosureBondsPerceived, 1},
43443    {"R_swig_OBMol_SetKekulePerceived", (DL_FUNC) &R_swig_OBMol_SetKekulePerceived, 1},
43444    {"R_swig_OBMol_SetImplicitValencePerceived", (DL_FUNC) &R_swig_OBMol_SetImplicitValencePerceived, 1},
43445    {"R_swig_OBMol_SetHybridizationPerceived", (DL_FUNC) &R_swig_OBMol_SetHybridizationPerceived, 1},
43446    {"R_swig_OBMol_SetPartialChargesPerceived", (DL_FUNC) &R_swig_OBMol_SetPartialChargesPerceived, 1},
43447    {"R_swig_OBMol_SetChiralityPerceived", (DL_FUNC) &R_swig_OBMol_SetChiralityPerceived, 1},
43448    {"R_swig_OBMol_SetChainsPerceived", (DL_FUNC) &R_swig_OBMol_SetChainsPerceived, 1},
43449    {"R_swig_OBMol_SetRingTypesPerceived", (DL_FUNC) &R_swig_OBMol_SetRingTypesPerceived, 1},
43450    {"R_swig_OBMol_SetAtomTypesPerceived", (DL_FUNC) &R_swig_OBMol_SetAtomTypesPerceived, 1},
43451    {"R_swig_OBMol_SetRingAtomsAndBondsPerceived", (DL_FUNC) &R_swig_OBMol_SetRingAtomsAndBondsPerceived, 1},
43452    {"R_swig_OBMol_SetLSSRPerceived", (DL_FUNC) &R_swig_OBMol_SetLSSRPerceived, 1},
43453    {"R_swig_OBMol_SetSSSRPerceived", (DL_FUNC) &R_swig_OBMol_SetSSSRPerceived, 1},
43454    {"R_swig_OBMol_SetAromaticPerceived", (DL_FUNC) &R_swig_OBMol_SetAromaticPerceived, 1},
43455    {"R_swig_OBUnitCell_SetOffset", (DL_FUNC) &R_swig_OBUnitCell_SetOffset, 2},
43456    {"R_swig_delete_pairUIntUInt", (DL_FUNC) &R_swig_delete_pairUIntUInt, 1},
43457    {"R_swig_delete_vpairUIntUInt", (DL_FUNC) &R_swig_delete_vpairUIntUInt, 1},
43458    {"R_swig_delete_vvpairUIntUInt", (DL_FUNC) &R_swig_delete_vvpairUIntUInt, 1},
43459    {"R_swig_OBResidueAtomIter_ExplicitHydrogenCount__SWIG_0", (DL_FUNC) &R_swig_OBResidueAtomIter_ExplicitHydrogenCount__SWIG_0, 3},
43460    {"R_swig_OBResidueAtomIter_ExplicitHydrogenCount__SWIG_1", (DL_FUNC) &R_swig_OBResidueAtomIter_ExplicitHydrogenCount__SWIG_1, 2},
43461    {"R_swig_OBMolAtomDFSIter_IsNitroOxygen", (DL_FUNC) &R_swig_OBMolAtomDFSIter_IsNitroOxygen, 2},
43462    {"R_swig_OBMolAtomDFSIter_IsSulfateOxygen", (DL_FUNC) &R_swig_OBMolAtomDFSIter_IsSulfateOxygen, 2},
43463    {"R_swig_OBMolAtomDFSIter_IsPhosphateOxygen", (DL_FUNC) &R_swig_OBMolAtomDFSIter_IsPhosphateOxygen, 2},
43464    {"R_swig_OBMolAtomDFSIter_IsOxygen", (DL_FUNC) &R_swig_OBMolAtomDFSIter_IsOxygen, 2},
43465    {"R_swig_OBMolAtomIter_IsNitroOxygen", (DL_FUNC) &R_swig_OBMolAtomIter_IsNitroOxygen, 2},
43466    {"R_swig_OBMolAtomIter_IsSulfateOxygen", (DL_FUNC) &R_swig_OBMolAtomIter_IsSulfateOxygen, 2},
43467    {"R_swig_OBMolAtomIter_IsPhosphateOxygen", (DL_FUNC) &R_swig_OBMolAtomIter_IsPhosphateOxygen, 2},
43468    {"R_swig_OBMolAtomIter_IsOxygen", (DL_FUNC) &R_swig_OBMolAtomIter_IsOxygen, 2},
43469    {"R_swig_OBAtom_IsOxygen", (DL_FUNC) &R_swig_OBAtom_IsOxygen, 2},
43470    {"R_swig_OBAtom_IsPhosphateOxygen", (DL_FUNC) &R_swig_OBAtom_IsPhosphateOxygen, 2},
43471    {"R_swig_OBAtom_IsSulfateOxygen", (DL_FUNC) &R_swig_OBAtom_IsSulfateOxygen, 2},
43472    {"R_swig_OBAtom_IsNitroOxygen", (DL_FUNC) &R_swig_OBAtom_IsNitroOxygen, 2},
43473    {"R_swig_OBMolAtomBFSIter_IsOxygen", (DL_FUNC) &R_swig_OBMolAtomBFSIter_IsOxygen, 2},
43474    {"R_swig_OBMolAtomBFSIter_IsPhosphateOxygen", (DL_FUNC) &R_swig_OBMolAtomBFSIter_IsPhosphateOxygen, 2},
43475    {"R_swig_OBMolAtomBFSIter_IsSulfateOxygen", (DL_FUNC) &R_swig_OBMolAtomBFSIter_IsSulfateOxygen, 2},
43476    {"R_swig_OBMolAtomBFSIter_IsNitroOxygen", (DL_FUNC) &R_swig_OBMolAtomBFSIter_IsNitroOxygen, 2},
43477    {"R_swig_OBAtomAtomIter_IsOxygen", (DL_FUNC) &R_swig_OBAtomAtomIter_IsOxygen, 2},
43478    {"R_swig_OBAtomAtomIter_IsPhosphateOxygen", (DL_FUNC) &R_swig_OBAtomAtomIter_IsPhosphateOxygen, 2},
43479    {"R_swig_OBAtomAtomIter_IsSulfateOxygen", (DL_FUNC) &R_swig_OBAtomAtomIter_IsSulfateOxygen, 2},
43480    {"R_swig_OBAtomAtomIter_IsNitroOxygen", (DL_FUNC) &R_swig_OBAtomAtomIter_IsNitroOxygen, 2},
43481    {"R_swig_OBResidueAtomIter_IsOxygen", (DL_FUNC) &R_swig_OBResidueAtomIter_IsOxygen, 2},
43482    {"R_swig_OBResidueAtomIter_IsPhosphateOxygen", (DL_FUNC) &R_swig_OBResidueAtomIter_IsPhosphateOxygen, 2},
43483    {"R_swig_OBResidueAtomIter_IsSulfateOxygen", (DL_FUNC) &R_swig_OBResidueAtomIter_IsSulfateOxygen, 2},
43484    {"R_swig_OBResidueAtomIter_IsNitroOxygen", (DL_FUNC) &R_swig_OBResidueAtomIter_IsNitroOxygen, 2},
43485    {"R_swig_OBForceField_SetParameterFile", (DL_FUNC) &R_swig_OBForceField_SetParameterFile, 2},
43486    {"R_swig_OBForceField_ConjugateGradientsInitialize__SWIG_3", (DL_FUNC) &R_swig_OBForceField_ConjugateGradientsInitialize__SWIG_3, 1},
43487    {"R_swig_OBForceField_ConjugateGradientsInitialize__SWIG_2", (DL_FUNC) &R_swig_OBForceField_ConjugateGradientsInitialize__SWIG_2, 2},
43488    {"R_swig_OBForceField_ConjugateGradientsInitialize__SWIG_1", (DL_FUNC) &R_swig_OBForceField_ConjugateGradientsInitialize__SWIG_1, 3},
43489    {"R_swig_OBForceField_ConjugateGradientsInitialize__SWIG_0", (DL_FUNC) &R_swig_OBForceField_ConjugateGradientsInitialize__SWIG_0, 4},
43490    {"R_swig_vector3_AsArray", (DL_FUNC) &R_swig_vector3_AsArray, 1},
43491    {"R_swig_OBRotamerList_NumAtoms", (DL_FUNC) &R_swig_OBRotamerList_NumAtoms, 2},
43492    {"R_swig_OBQuery_NumAtoms", (DL_FUNC) &R_swig_OBQuery_NumAtoms, 2},
43493    {"R_swig_OBSmartsPattern_NumAtoms", (DL_FUNC) &R_swig_OBSmartsPattern_NumAtoms, 2},
43494    {"R_swig_OBMol_NumAtoms", (DL_FUNC) &R_swig_OBMol_NumAtoms, 2},
43495    {"R_swig_OBResidue_GetNumAtoms", (DL_FUNC) &R_swig_OBResidue_GetNumAtoms, 2},
43496    {"R_swig_OBResidueIter_GetNumAtoms", (DL_FUNC) &R_swig_OBResidueIter_GetNumAtoms, 2},
43497    {"R_swig_OBBitVec_Resize", (DL_FUNC) &R_swig_OBBitVec_Resize, 3},
43498    {"R_swig_toSerialNums", (DL_FUNC) &R_swig_toSerialNums, 1},
43499    {"R_swig_delete_OBSerialNums", (DL_FUNC) &R_swig_delete_OBSerialNums, 1},
43500    {"R_swig_OBMolAtomDFSIter_SetChiral", (DL_FUNC) &R_swig_OBMolAtomDFSIter_SetChiral, 1},
43501    {"R_swig_OBMolAtomIter_SetChiral", (DL_FUNC) &R_swig_OBMolAtomIter_SetChiral, 1},
43502    {"R_swig_OBAtom_SetChiral", (DL_FUNC) &R_swig_OBAtom_SetChiral, 1},
43503    {"R_swig_OBMolAtomBFSIter_SetChiral", (DL_FUNC) &R_swig_OBMolAtomBFSIter_SetChiral, 1},
43504    {"R_swig_OBAtomAtomIter_SetChiral", (DL_FUNC) &R_swig_OBAtomAtomIter_SetChiral, 1},
43505    {"R_swig_OBResidueAtomIter_SetChiral", (DL_FUNC) &R_swig_OBResidueAtomIter_SetChiral, 1},
43506    {"R_swig_OBFFCalculation2_energy_get", (DL_FUNC) &R_swig_OBFFCalculation2_energy_get, 2},
43507    {"R_swig_SpaceGroup_GetOriginAlternative", (DL_FUNC) &R_swig_SpaceGroup_GetOriginAlternative, 2},
43508    {"R_swig_OBMolAtomIter_BeginData", (DL_FUNC) &R_swig_OBMolAtomIter_BeginData, 2},
43509    {"R_swig_OBBase_BeginData", (DL_FUNC) &R_swig_OBBase_BeginData, 2},
43510    {"R_swig_OBMolAtomDFSIter_BeginData", (DL_FUNC) &R_swig_OBMolAtomDFSIter_BeginData, 2},
43511    {"R_swig_OBMolAtomBFSIter_BeginData", (DL_FUNC) &R_swig_OBMolAtomBFSIter_BeginData, 2},
43512    {"R_swig_OBMolBondBFSIter_BeginData", (DL_FUNC) &R_swig_OBMolBondBFSIter_BeginData, 2},
43513    {"R_swig_OBMolBondIter_BeginData", (DL_FUNC) &R_swig_OBMolBondIter_BeginData, 2},
43514    {"R_swig_OBAtomAtomIter_BeginData", (DL_FUNC) &R_swig_OBAtomAtomIter_BeginData, 2},
43515    {"R_swig_OBAtomBondIter_BeginData", (DL_FUNC) &R_swig_OBAtomBondIter_BeginData, 2},
43516    {"R_swig_OBResidueIter_BeginData", (DL_FUNC) &R_swig_OBResidueIter_BeginData, 2},
43517    {"R_swig_OBResidueAtomIter_BeginData", (DL_FUNC) &R_swig_OBResidueAtomIter_BeginData, 2},
43518    {"R_swig_OBResidue_InsertAtom", (DL_FUNC) &R_swig_OBResidue_InsertAtom, 2},
43519    {"R_swig_OBMol_InsertAtom", (DL_FUNC) &R_swig_OBMol_InsertAtom, 3},
43520    {"R_swig_OBResidueIter_InsertAtom", (DL_FUNC) &R_swig_OBResidueIter_InsertAtom, 2},
43521    {"R_swig_vvpairUIntUInt_push_back", (DL_FUNC) &R_swig_vvpairUIntUInt_push_back, 2},
43522    {"R_swig_OBForceField_AddInterGroup", (DL_FUNC) &R_swig_OBForceField_AddInterGroup, 2},
43523    {"R_swig_OBBuilder_CorrectStereoAtoms", (DL_FUNC) &R_swig_OBBuilder_CorrectStereoAtoms, 1},
43524    {"R_swig_matrix3x3_Get", (DL_FUNC) &R_swig_matrix3x3_Get, 4},
43525    {"R_swig_OBMolAtomDFSIter_GetPartialCharge", (DL_FUNC) &R_swig_OBMolAtomDFSIter_GetPartialCharge, 2},
43526    {"R_swig_OBMolAtomDFSIter_GetFormalCharge", (DL_FUNC) &R_swig_OBMolAtomDFSIter_GetFormalCharge, 2},
43527    {"R_swig_OBMolAtomDFSIter_SetPartialCharge", (DL_FUNC) &R_swig_OBMolAtomDFSIter_SetPartialCharge, 2},
43528    {"R_swig_OBMolAtomDFSIter_SetFormalCharge", (DL_FUNC) &R_swig_OBMolAtomDFSIter_SetFormalCharge, 2},
43529    {"R_swig_OBMolAtomIter_GetPartialCharge", (DL_FUNC) &R_swig_OBMolAtomIter_GetPartialCharge, 2},
43530    {"R_swig_OBMolAtomIter_GetFormalCharge", (DL_FUNC) &R_swig_OBMolAtomIter_GetFormalCharge, 2},
43531    {"R_swig_OBMolAtomIter_SetPartialCharge", (DL_FUNC) &R_swig_OBMolAtomIter_SetPartialCharge, 2},
43532    {"R_swig_OBMolAtomIter_SetFormalCharge", (DL_FUNC) &R_swig_OBMolAtomIter_SetFormalCharge, 2},
43533    {"R_swig_OBSmartsPattern_GetCharge", (DL_FUNC) &R_swig_OBSmartsPattern_GetCharge, 3},
43534    {"R_swig_OBMol_SetAutomaticPartialCharge", (DL_FUNC) &R_swig_OBMol_SetAutomaticPartialCharge, 2},
43535    {"R_swig_OBMol_SetAutomaticFormalCharge", (DL_FUNC) &R_swig_OBMol_SetAutomaticFormalCharge, 2},
43536    {"R_swig_OBMol_SetTotalCharge", (DL_FUNC) &R_swig_OBMol_SetTotalCharge, 2},
43537    {"R_swig_OBMol_AutomaticPartialCharge", (DL_FUNC) &R_swig_OBMol_AutomaticPartialCharge, 2},
43538    {"R_swig_OBMol_AutomaticFormalCharge", (DL_FUNC) &R_swig_OBMol_AutomaticFormalCharge, 2},
43539    {"R_swig_OBMol_GetTotalCharge", (DL_FUNC) &R_swig_OBMol_GetTotalCharge, 2},
43540    {"R_swig_OBAtom_SetFormalCharge", (DL_FUNC) &R_swig_OBAtom_SetFormalCharge, 2},
43541    {"R_swig_OBAtom_SetPartialCharge", (DL_FUNC) &R_swig_OBAtom_SetPartialCharge, 2},
43542    {"R_swig_OBAtom_GetFormalCharge", (DL_FUNC) &R_swig_OBAtom_GetFormalCharge, 2},
43543    {"R_swig_OBAtom_GetPartialCharge", (DL_FUNC) &R_swig_OBAtom_GetPartialCharge, 2},
43544    {"R_swig_OBMolAtomBFSIter_SetFormalCharge", (DL_FUNC) &R_swig_OBMolAtomBFSIter_SetFormalCharge, 2},
43545    {"R_swig_OBMolAtomBFSIter_SetPartialCharge", (DL_FUNC) &R_swig_OBMolAtomBFSIter_SetPartialCharge, 2},
43546    {"R_swig_OBMolAtomBFSIter_GetFormalCharge", (DL_FUNC) &R_swig_OBMolAtomBFSIter_GetFormalCharge, 2},
43547    {"R_swig_OBMolAtomBFSIter_GetPartialCharge", (DL_FUNC) &R_swig_OBMolAtomBFSIter_GetPartialCharge, 2},
43548    {"R_swig_OBAtomAtomIter_SetFormalCharge", (DL_FUNC) &R_swig_OBAtomAtomIter_SetFormalCharge, 2},
43549    {"R_swig_OBAtomAtomIter_SetPartialCharge", (DL_FUNC) &R_swig_OBAtomAtomIter_SetPartialCharge, 2},
43550    {"R_swig_OBAtomAtomIter_GetFormalCharge", (DL_FUNC) &R_swig_OBAtomAtomIter_GetFormalCharge, 2},
43551    {"R_swig_OBAtomAtomIter_GetPartialCharge", (DL_FUNC) &R_swig_OBAtomAtomIter_GetPartialCharge, 2},
43552    {"R_swig_OBResidueAtomIter_SetFormalCharge", (DL_FUNC) &R_swig_OBResidueAtomIter_SetFormalCharge, 2},
43553    {"R_swig_OBResidueAtomIter_SetPartialCharge", (DL_FUNC) &R_swig_OBResidueAtomIter_SetPartialCharge, 2},
43554    {"R_swig_OBResidueAtomIter_GetFormalCharge", (DL_FUNC) &R_swig_OBResidueAtomIter_GetFormalCharge, 2},
43555    {"R_swig_OBResidueAtomIter_GetPartialCharge", (DL_FUNC) &R_swig_OBResidueAtomIter_GetPartialCharge, 2},
43556    {"R_swig_OBMolAtomDFSIter_ForceNoH", (DL_FUNC) &R_swig_OBMolAtomDFSIter_ForceNoH, 1},
43557    {"R_swig_OBMolAtomIter_ForceNoH", (DL_FUNC) &R_swig_OBMolAtomIter_ForceNoH, 1},
43558    {"R_swig_OBAtom_ForceNoH", (DL_FUNC) &R_swig_OBAtom_ForceNoH, 1},
43559    {"R_swig_OBMolAtomBFSIter_ForceNoH", (DL_FUNC) &R_swig_OBMolAtomBFSIter_ForceNoH, 1},
43560    {"R_swig_OBAtomAtomIter_ForceNoH", (DL_FUNC) &R_swig_OBAtomAtomIter_ForceNoH, 1},
43561    {"R_swig_OBResidueAtomIter_ForceNoH", (DL_FUNC) &R_swig_OBResidueAtomIter_ForceNoH, 1},
43562    {"R_swig_OBFFConstraints_GetConstraintType", (DL_FUNC) &R_swig_OBFFConstraints_GetConstraintType, 3},
43563    {"R_swig_matrix3x3_inverse", (DL_FUNC) &R_swig_matrix3x3_inverse, 2},
43564    {"R_swig_OBAtomClassData_size", (DL_FUNC) &R_swig_OBAtomClassData_size, 2},
43565    {"R_swig_vectorpOBGenericData_size", (DL_FUNC) &R_swig_vectorpOBGenericData_size, 2},
43566    {"R_swig_OBFFConstraints_Setup", (DL_FUNC) &R_swig_OBFFConstraints_Setup, 2},
43567    {"R_swig_OBRingData_NextRing", (DL_FUNC) &R_swig_OBRingData_NextRing, 2},
43568    {"R_swig_OBBond_IsAmidine", (DL_FUNC) &R_swig_OBBond_IsAmidine, 2},
43569    {"R_swig_OBMolBondBFSIter_IsAmidine", (DL_FUNC) &R_swig_OBMolBondBFSIter_IsAmidine, 2},
43570    {"R_swig_OBMolBondIter_IsAmidine", (DL_FUNC) &R_swig_OBMolBondIter_IsAmidine, 2},
43571    {"R_swig_OBAtomBondIter_IsAmidine", (DL_FUNC) &R_swig_OBAtomBondIter_IsAmidine, 2},
43572    {"R_swig_OBTypeTable_GetFromType", (DL_FUNC) &R_swig_OBTypeTable_GetFromType, 2},
43573    {"R_swig_OBTypeTable_SetFromType", (DL_FUNC) &R_swig_OBTypeTable_SetFromType, 3},
43574    {"R_swig_OBMol_Kekulize", (DL_FUNC) &R_swig_OBMol_Kekulize, 2},
43575    {"R_swig_OBForceField_VectorSubtract", (DL_FUNC) &R_swig_OBForceField_VectorSubtract, 3},
43576    {"R_swig_OBAtom_GetX", (DL_FUNC) &R_swig_OBAtom_GetX, 2},
43577    {"R_swig_OBRotorRules_GetRotorIncrements", (DL_FUNC) &R_swig_OBRotorRules_GetRotorIncrements, 6},
43578    {"R_swig_OBElementTable_GetNumberOfElements", (DL_FUNC) &R_swig_OBElementTable_GetNumberOfElements, 2},
43579    {"R_swig_OBAtom_GetY", (DL_FUNC) &R_swig_OBAtom_GetY, 2},
43580    {"R_swig_OBAtom_GetZ", (DL_FUNC) &R_swig_OBAtom_GetZ, 2},
43581    {"R_swig_OBMolAtomDFSIter_IsSulfur", (DL_FUNC) &R_swig_OBMolAtomDFSIter_IsSulfur, 2},
43582    {"R_swig_OBMolAtomIter_IsSulfur", (DL_FUNC) &R_swig_OBMolAtomIter_IsSulfur, 2},
43583    {"R_swig_OBAtom_IsSulfur", (DL_FUNC) &R_swig_OBAtom_IsSulfur, 2},
43584    {"R_swig_OBMolAtomBFSIter_IsSulfur", (DL_FUNC) &R_swig_OBMolAtomBFSIter_IsSulfur, 2},
43585    {"R_swig_OBAtomAtomIter_IsSulfur", (DL_FUNC) &R_swig_OBAtomAtomIter_IsSulfur, 2},
43586    {"R_swig_OBResidueAtomIter_IsSulfur", (DL_FUNC) &R_swig_OBResidueAtomIter_IsSulfur, 2},
43587    {"R_swig_delete_OBMolTorsionIter", (DL_FUNC) &R_swig_delete_OBMolTorsionIter, 1},
43588    {"R_swig_new_OBBond", (DL_FUNC) &R_swig_new_OBBond, 0},
43589    {"R_swig_delete_OBBond", (DL_FUNC) &R_swig_delete_OBBond, 1},
43590    {"R_swig_toRotationData", (DL_FUNC) &R_swig_toRotationData, 1},
43591    {"R_swig_toTorsionData", (DL_FUNC) &R_swig_toTorsionData, 1},
43592    {"R_swig_toVibrationData", (DL_FUNC) &R_swig_toVibrationData, 1},
43593    {"R_swig_delete_OBTorsionData", (DL_FUNC) &R_swig_delete_OBTorsionData, 1},
43594    {"R_swig_new_OBVibrationData", (DL_FUNC) &R_swig_new_OBVibrationData, 0},
43595    {"R_swig_delete_OBVibrationData", (DL_FUNC) &R_swig_delete_OBVibrationData, 1},
43596    {"R_swig_new_OBElectronicTransitionData", (DL_FUNC) &R_swig_new_OBElectronicTransitionData, 0},
43597    {"R_swig_delete_OBElectronicTransitionData", (DL_FUNC) &R_swig_delete_OBElectronicTransitionData, 1},
43598    {"R_swig_new_OBRotationData", (DL_FUNC) &R_swig_new_OBRotationData, 0},
43599    {"R_swig_delete_OBRotationData", (DL_FUNC) &R_swig_delete_OBRotationData, 1},
43600    {"R_swig_DoubleType_lo_get", (DL_FUNC) &R_swig_DoubleType_lo_get, 2},
43601    {"R_swig_vectorDouble_size", (DL_FUNC) &R_swig_vectorDouble_size, 2},
43602    {"R_swig_OBMolAtomDFSIter_GetNextAtom", (DL_FUNC) &R_swig_OBMolAtomDFSIter_GetNextAtom, 1},
43603    {"R_swig_OBMolAtomIter_GetNextAtom", (DL_FUNC) &R_swig_OBMolAtomIter_GetNextAtom, 1},
43604    {"R_swig_OBResidue_NextAtom", (DL_FUNC) &R_swig_OBResidue_NextAtom, 2},
43605    {"R_swig_OBAtom_GetNextAtom", (DL_FUNC) &R_swig_OBAtom_GetNextAtom, 1},
43606    {"R_swig_OBMolAtomBFSIter_GetNextAtom", (DL_FUNC) &R_swig_OBMolAtomBFSIter_GetNextAtom, 1},
43607    {"R_swig_OBAtomAtomIter_GetNextAtom", (DL_FUNC) &R_swig_OBAtomAtomIter_GetNextAtom, 1},
43608    {"R_swig_OBResidueIter_NextAtom", (DL_FUNC) &R_swig_OBResidueIter_NextAtom, 2},
43609    {"R_swig_OBResidueAtomIter_GetNextAtom", (DL_FUNC) &R_swig_OBResidueAtomIter_GetNextAtom, 1},
43610    {"R_swig_FastSearch_FindMatch", (DL_FUNC) &R_swig_FastSearch_FindMatch, 5},
43611    {"R_swig_OBForceField_VectorClear", (DL_FUNC) &R_swig_OBForceField_VectorClear, 1},
43612    {"R_swig_OBConformerSearch_SetNbNiches", (DL_FUNC) &R_swig_OBConformerSearch_SetNbNiches, 2},
43613    {"R_swig_OBConformerSearch_GetNbNiches", (DL_FUNC) &R_swig_OBConformerSearch_GetNbNiches, 2},
43614    {"R_swig_OBFFConstraint_d_get", (DL_FUNC) &R_swig_OBFFConstraint_d_get, 1},
43615    {"R_swig_OBFFCalculation4_idx_d_get", (DL_FUNC) &R_swig_OBFFCalculation4_idx_d_get, 2},
43616    {"R_swig_OBFFCalculation4_d_get", (DL_FUNC) &R_swig_OBFFCalculation4_d_get, 1},
43617    {"R_swig_OBFFParameter_d_get", (DL_FUNC) &R_swig_OBFFParameter_d_get, 2},
43618    {"R_swig_OBMolAtomDFSIter_SetInRing", (DL_FUNC) &R_swig_OBMolAtomDFSIter_SetInRing, 1},
43619    {"R_swig_OBMolAtomIter_SetInRing", (DL_FUNC) &R_swig_OBMolAtomIter_SetInRing, 1},
43620    {"R_swig_OBRingData_BeginRing", (DL_FUNC) &R_swig_OBRingData_BeginRing, 2},
43621    {"R_swig_OBAtom_SetInRing", (DL_FUNC) &R_swig_OBAtom_SetInRing, 1},
43622    {"R_swig_OBMolAtomBFSIter_SetInRing", (DL_FUNC) &R_swig_OBMolAtomBFSIter_SetInRing, 1},
43623    {"R_swig_OBAtomAtomIter_SetInRing", (DL_FUNC) &R_swig_OBAtomAtomIter_SetInRing, 1},
43624    {"R_swig_OBResidueAtomIter_SetInRing", (DL_FUNC) &R_swig_OBResidueAtomIter_SetInRing, 1},
43625    {"R_swig_SpaceGroup_GetHallName", (DL_FUNC) &R_swig_SpaceGroup_GetHallName, 2},
43626    {"R_swig_vectorString_size", (DL_FUNC) &R_swig_vectorString_size, 2},
43627    {"R_swig_vectorOBRing_size", (DL_FUNC) &R_swig_vectorOBRing_size, 2},
43628    {"R_swig_vectorpOBRing_size", (DL_FUNC) &R_swig_vectorpOBRing_size, 2},
43629    {"R_swig_vvpairUIntUInt_pop_back", (DL_FUNC) &R_swig_vvpairUIntUInt_pop_back, 1},
43630    {"R_swig_OBVibrationData_GetFrequencies", (DL_FUNC) &R_swig_OBVibrationData_GetFrequencies, 2},
43631    {"R_swig_OBVibrationData_GetNumberOfFrequencies", (DL_FUNC) &R_swig_OBVibrationData_GetNumberOfFrequencies, 2},
43632    {"R_swig_Point2PlaneAngle", (DL_FUNC) &R_swig_Point2PlaneAngle, 5},
43633    {"R_swig_OBForceField_VectorCross", (DL_FUNC) &R_swig_OBForceField_VectorCross, 3},
43634    {"R_swig_OBStereoBase_GetMolecule", (DL_FUNC) &R_swig_OBStereoBase_GetMolecule, 1},
43635    {"R_swig_OBFormat_ReadMolecule", (DL_FUNC) &R_swig_OBFormat_ReadMolecule, 4},
43636    {"R_swig_OBFormat_WriteMolecule", (DL_FUNC) &R_swig_OBFormat_WriteMolecule, 4},
43637    {"R_swig_OBMolAtomIter_GetAllData", (DL_FUNC) &R_swig_OBMolAtomIter_GetAllData, 3},
43638    {"R_swig_OBBase_GetAllData", (DL_FUNC) &R_swig_OBBase_GetAllData, 3},
43639    {"R_swig_OBMolAtomDFSIter_GetAllData", (DL_FUNC) &R_swig_OBMolAtomDFSIter_GetAllData, 3},
43640    {"R_swig_OBMolAtomBFSIter_GetAllData", (DL_FUNC) &R_swig_OBMolAtomBFSIter_GetAllData, 3},
43641    {"R_swig_OBMolBondBFSIter_GetAllData", (DL_FUNC) &R_swig_OBMolBondBFSIter_GetAllData, 3},
43642    {"R_swig_OBMolBondIter_GetAllData", (DL_FUNC) &R_swig_OBMolBondIter_GetAllData, 3},
43643    {"R_swig_OBAtomAtomIter_GetAllData", (DL_FUNC) &R_swig_OBAtomAtomIter_GetAllData, 3},
43644    {"R_swig_OBAtomBondIter_GetAllData", (DL_FUNC) &R_swig_OBAtomBondIter_GetAllData, 3},
43645    {"R_swig_OBResidueIter_GetAllData", (DL_FUNC) &R_swig_OBResidueIter_GetAllData, 3},
43646    {"R_swig_OBResidueAtomIter_GetAllData", (DL_FUNC) &R_swig_OBResidueAtomIter_GetAllData, 3},
43647    {"R_swig_TetStereoToWedgeHash", (DL_FUNC) &R_swig_TetStereoToWedgeHash, 4},
43648    {"R_swig_DoubleAdd", (DL_FUNC) &R_swig_DoubleAdd, 2},
43649    {"R_swig_OBMolAtomDFSIter_IsNegativeStereo", (DL_FUNC) &R_swig_OBMolAtomDFSIter_IsNegativeStereo, 2},
43650    {"R_swig_OBMolAtomDFSIter_IsPositiveStereo", (DL_FUNC) &R_swig_OBMolAtomDFSIter_IsPositiveStereo, 2},
43651    {"R_swig_OBMolAtomDFSIter_SetNegativeStereo", (DL_FUNC) &R_swig_OBMolAtomDFSIter_SetNegativeStereo, 1},
43652    {"R_swig_OBMolAtomDFSIter_SetPositiveStereo", (DL_FUNC) &R_swig_OBMolAtomDFSIter_SetPositiveStereo, 1},
43653    {"R_swig_OBMolAtomDFSIter_SetAntiClockwiseStereo", (DL_FUNC) &R_swig_OBMolAtomDFSIter_SetAntiClockwiseStereo, 1},
43654    {"R_swig_OBMolAtomDFSIter_SetClockwiseStereo", (DL_FUNC) &R_swig_OBMolAtomDFSIter_SetClockwiseStereo, 1},
43655    {"R_swig_OBMolAtomIter_IsNegativeStereo", (DL_FUNC) &R_swig_OBMolAtomIter_IsNegativeStereo, 2},
43656    {"R_swig_OBMolAtomIter_IsPositiveStereo", (DL_FUNC) &R_swig_OBMolAtomIter_IsPositiveStereo, 2},
43657    {"R_swig_OBMolAtomIter_SetNegativeStereo", (DL_FUNC) &R_swig_OBMolAtomIter_SetNegativeStereo, 1},
43658    {"R_swig_OBMolAtomIter_SetPositiveStereo", (DL_FUNC) &R_swig_OBMolAtomIter_SetPositiveStereo, 1},
43659    {"R_swig_OBMolAtomIter_SetAntiClockwiseStereo", (DL_FUNC) &R_swig_OBMolAtomIter_SetAntiClockwiseStereo, 1},
43660    {"R_swig_OBMolAtomIter_SetClockwiseStereo", (DL_FUNC) &R_swig_OBMolAtomIter_SetClockwiseStereo, 1},
43661    {"R_swig_ImplicitRefToStereo", (DL_FUNC) &R_swig_ImplicitRefToStereo, 3},
43662    {"R_swig_OBStereoFacade_GetCisTransStereo", (DL_FUNC) &R_swig_OBStereoFacade_GetCisTransStereo, 2},
43663    {"R_swig_OBStereoFacade_HasCisTransStereo", (DL_FUNC) &R_swig_OBStereoFacade_HasCisTransStereo, 3},
43664    {"R_swig_OBStereoFacade_NumCisTransStereo", (DL_FUNC) &R_swig_OBStereoFacade_NumCisTransStereo, 2},
43665    {"R_swig_OBAtom_SetClockwiseStereo", (DL_FUNC) &R_swig_OBAtom_SetClockwiseStereo, 1},
43666    {"R_swig_OBAtom_SetAntiClockwiseStereo", (DL_FUNC) &R_swig_OBAtom_SetAntiClockwiseStereo, 1},
43667    {"R_swig_OBAtom_SetPositiveStereo", (DL_FUNC) &R_swig_OBAtom_SetPositiveStereo, 1},
43668    {"R_swig_OBAtom_SetNegativeStereo", (DL_FUNC) &R_swig_OBAtom_SetNegativeStereo, 1},
43669    {"R_swig_OBAtom_IsPositiveStereo", (DL_FUNC) &R_swig_OBAtom_IsPositiveStereo, 2},
43670    {"R_swig_OBAtom_IsNegativeStereo", (DL_FUNC) &R_swig_OBAtom_IsNegativeStereo, 2},
43671    {"R_swig_OBMolAtomBFSIter_SetClockwiseStereo", (DL_FUNC) &R_swig_OBMolAtomBFSIter_SetClockwiseStereo, 1},
43672    {"R_swig_OBMolAtomBFSIter_SetAntiClockwiseStereo", (DL_FUNC) &R_swig_OBMolAtomBFSIter_SetAntiClockwiseStereo, 1},
43673    {"R_swig_OBMolAtomBFSIter_SetPositiveStereo", (DL_FUNC) &R_swig_OBMolAtomBFSIter_SetPositiveStereo, 1},
43674    {"R_swig_OBMolAtomBFSIter_SetNegativeStereo", (DL_FUNC) &R_swig_OBMolAtomBFSIter_SetNegativeStereo, 1},
43675    {"R_swig_OBMolAtomBFSIter_IsPositiveStereo", (DL_FUNC) &R_swig_OBMolAtomBFSIter_IsPositiveStereo, 2},
43676    {"R_swig_OBMolAtomBFSIter_IsNegativeStereo", (DL_FUNC) &R_swig_OBMolAtomBFSIter_IsNegativeStereo, 2},
43677    {"R_swig_OBAtomAtomIter_SetClockwiseStereo", (DL_FUNC) &R_swig_OBAtomAtomIter_SetClockwiseStereo, 1},
43678    {"R_swig_OBAtomAtomIter_SetAntiClockwiseStereo", (DL_FUNC) &R_swig_OBAtomAtomIter_SetAntiClockwiseStereo, 1},
43679    {"R_swig_OBAtomAtomIter_SetPositiveStereo", (DL_FUNC) &R_swig_OBAtomAtomIter_SetPositiveStereo, 1},
43680    {"R_swig_OBAtomAtomIter_SetNegativeStereo", (DL_FUNC) &R_swig_OBAtomAtomIter_SetNegativeStereo, 1},
43681    {"R_swig_OBAtomAtomIter_IsPositiveStereo", (DL_FUNC) &R_swig_OBAtomAtomIter_IsPositiveStereo, 2},
43682    {"R_swig_OBAtomAtomIter_IsNegativeStereo", (DL_FUNC) &R_swig_OBAtomAtomIter_IsNegativeStereo, 2},
43683    {"R_swig_OBResidueAtomIter_SetClockwiseStereo", (DL_FUNC) &R_swig_OBResidueAtomIter_SetClockwiseStereo, 1},
43684    {"R_swig_OBResidueAtomIter_SetAntiClockwiseStereo", (DL_FUNC) &R_swig_OBResidueAtomIter_SetAntiClockwiseStereo, 1},
43685    {"R_swig_OBResidueAtomIter_SetPositiveStereo", (DL_FUNC) &R_swig_OBResidueAtomIter_SetPositiveStereo, 1},
43686    {"R_swig_OBResidueAtomIter_SetNegativeStereo", (DL_FUNC) &R_swig_OBResidueAtomIter_SetNegativeStereo, 1},
43687    {"R_swig_OBResidueAtomIter_IsPositiveStereo", (DL_FUNC) &R_swig_OBResidueAtomIter_IsPositiveStereo, 2},
43688    {"R_swig_OBResidueAtomIter_IsNegativeStereo", (DL_FUNC) &R_swig_OBResidueAtomIter_IsNegativeStereo, 2},
43689    {"R_swig_new_OBCisTransStereo", (DL_FUNC) &R_swig_new_OBCisTransStereo, 1},
43690    {"R_swig_delete_OBCisTransStereo", (DL_FUNC) &R_swig_delete_OBCisTransStereo, 1},
43691    {"R_swig_OBBuilder_Build", (DL_FUNC) &R_swig_OBBuilder_Build, 3},
43692    {"R_swig_vectorOBRing___getitem__", (DL_FUNC) &R_swig_vectorOBRing___getitem__, 3},
43693    {"R_swig_vectorOBRing___delitem__", (DL_FUNC) &R_swig_vectorOBRing___delitem__, 2},
43694    {"R_swig_vectorOBResidue___setitem__", (DL_FUNC) &R_swig_vectorOBResidue___setitem__, 3},
43695    {"R_swig_vectorOBResidue___getitem__", (DL_FUNC) &R_swig_vectorOBResidue___getitem__, 3},
43696    {"R_swig_vectorOBResidue___delitem__", (DL_FUNC) &R_swig_vectorOBResidue___delitem__, 2},
43697    {"R_swig_vectorOBBond___setitem__", (DL_FUNC) &R_swig_vectorOBBond___setitem__, 3},
43698    {"R_swig_vectorOBBond___getitem__", (DL_FUNC) &R_swig_vectorOBBond___getitem__, 3},
43699    {"R_swig_vectorOBBond___delitem__", (DL_FUNC) &R_swig_vectorOBBond___delitem__, 2},
43700    {"R_swig_vectorOBMol___setitem__", (DL_FUNC) &R_swig_vectorOBMol___setitem__, 3},
43701    {"R_swig_vectorOBMol___getitem__", (DL_FUNC) &R_swig_vectorOBMol___getitem__, 3},
43702    {"R_swig_vectorOBMol___delitem__", (DL_FUNC) &R_swig_vectorOBMol___delitem__, 2},
43703    {"R_swig_vectorvVector3___setitem__", (DL_FUNC) &R_swig_vectorvVector3___setitem__, 3},
43704    {"R_swig_vectorvVector3___getitem__", (DL_FUNC) &R_swig_vectorvVector3___getitem__, 3},
43705    {"R_swig_vectorvVector3___delitem__", (DL_FUNC) &R_swig_vectorvVector3___delitem__, 2},
43706    {"R_swig_vectorVector3___setitem__", (DL_FUNC) &R_swig_vectorVector3___setitem__, 3},
43707    {"R_swig_vectorVector3___getitem__", (DL_FUNC) &R_swig_vectorVector3___getitem__, 3},
43708    {"R_swig_vectorVector3___delitem__", (DL_FUNC) &R_swig_vectorVector3___delitem__, 2},
43709    {"R_swig_vectorString___setitem__", (DL_FUNC) &R_swig_vectorString___setitem__, 3},
43710    {"R_swig_vectorUnsignedInt___setitem__", (DL_FUNC) &R_swig_vectorUnsignedInt___setitem__, 3},
43711    {"R_swig_vectorUnsignedInt___getitem__", (DL_FUNC) &R_swig_vectorUnsignedInt___getitem__, 3},
43712    {"R_swig_vectorUnsignedInt___delitem__", (DL_FUNC) &R_swig_vectorUnsignedInt___delitem__, 2},
43713    {"R_swig_vectorInt___setitem__", (DL_FUNC) &R_swig_vectorInt___setitem__, 3},
43714    {"R_swig_vectorInt___getitem__", (DL_FUNC) &R_swig_vectorInt___getitem__, 3},
43715    {"R_swig_vectorInt___delitem__", (DL_FUNC) &R_swig_vectorInt___delitem__, 2},
43716    {"R_swig_vectorvInt___delitem__", (DL_FUNC) &R_swig_vectorvInt___delitem__, 2},
43717    {"R_swig_vectorvInt___getitem__", (DL_FUNC) &R_swig_vectorvInt___getitem__, 3},
43718    {"R_swig_vectorvInt___setitem__", (DL_FUNC) &R_swig_vectorvInt___setitem__, 3},
43719    {"R_swig_vectorDouble___delitem__", (DL_FUNC) &R_swig_vectorDouble___delitem__, 2},
43720    {"R_swig_vectorDouble___getitem__", (DL_FUNC) &R_swig_vectorDouble___getitem__, 3},
43721    {"R_swig_vectorDouble___setitem__", (DL_FUNC) &R_swig_vectorDouble___setitem__, 3},
43722    {"R_swig_vectorString___delitem__", (DL_FUNC) &R_swig_vectorString___delitem__, 2},
43723    {"R_swig_vectorString___getitem__", (DL_FUNC) &R_swig_vectorString___getitem__, 3},
43724    {"R_swig_vectorOBRing___setitem__", (DL_FUNC) &R_swig_vectorOBRing___setitem__, 3},
43725    {"R_swig_vectorpOBRing___delitem__", (DL_FUNC) &R_swig_vectorpOBRing___delitem__, 2},
43726    {"R_swig_vectorpOBRing___getitem__", (DL_FUNC) &R_swig_vectorpOBRing___getitem__, 3},
43727    {"R_swig_vectorpOBRing___setitem__", (DL_FUNC) &R_swig_vectorpOBRing___setitem__, 3},
43728    {"R_swig_vectorpOBGenericData___delitem__", (DL_FUNC) &R_swig_vectorpOBGenericData___delitem__, 2},
43729    {"R_swig_vectorpOBGenericData___getitem__", (DL_FUNC) &R_swig_vectorpOBGenericData___getitem__, 3},
43730    {"R_swig_vectorpOBGenericData___setitem__", (DL_FUNC) &R_swig_vectorpOBGenericData___setitem__, 3},
43731    {"R_swig_vectorpOBInternalCoord___delitem__", (DL_FUNC) &R_swig_vectorpOBInternalCoord___delitem__, 2},
43732    {"R_swig_vectorpOBInternalCoord___getitem__", (DL_FUNC) &R_swig_vectorpOBInternalCoord___getitem__, 3},
43733    {"R_swig_vectorpOBInternalCoord___setitem__", (DL_FUNC) &R_swig_vectorpOBInternalCoord___setitem__, 3},
43734    {"R_swig_vpairUIntUInt___delitem__", (DL_FUNC) &R_swig_vpairUIntUInt___delitem__, 2},
43735    {"R_swig_vpairUIntUInt___getitem__", (DL_FUNC) &R_swig_vpairUIntUInt___getitem__, 3},
43736    {"R_swig_vpairUIntUInt___setitem__", (DL_FUNC) &R_swig_vpairUIntUInt___setitem__, 3},
43737    {"R_swig_vvpairUIntUInt___delitem__", (DL_FUNC) &R_swig_vvpairUIntUInt___delitem__, 2},
43738    {"R_swig_vvpairUIntUInt___getitem__", (DL_FUNC) &R_swig_vvpairUIntUInt___getitem__, 3},
43739    {"R_swig_vvpairUIntUInt___setitem__", (DL_FUNC) &R_swig_vvpairUIntUInt___setitem__, 3},
43740    {"R_swig_delete_vectorInt", (DL_FUNC) &R_swig_delete_vectorInt, 1},
43741    {"R_swig_OBError_GetSuggestedRemedy", (DL_FUNC) &R_swig_OBError_GetSuggestedRemedy, 2},
43742    {"R_swig_OBQueryBond_GetBeginAtom", (DL_FUNC) &R_swig_OBQueryBond_GetBeginAtom, 1},
43743    {"R_swig_OBResidue_BeginAtom", (DL_FUNC) &R_swig_OBResidue_BeginAtom, 2},
43744    {"R_swig_OBBond_GetBeginAtom", (DL_FUNC) &R_swig_OBBond_GetBeginAtom, 1},
43745    {"R_swig_OBMolBondBFSIter_GetBeginAtom", (DL_FUNC) &R_swig_OBMolBondBFSIter_GetBeginAtom, 1},
43746    {"R_swig_OBMolBondIter_GetBeginAtom", (DL_FUNC) &R_swig_OBMolBondIter_GetBeginAtom, 1},
43747    {"R_swig_OBAtomBondIter_GetBeginAtom", (DL_FUNC) &R_swig_OBAtomBondIter_GetBeginAtom, 1},
43748    {"R_swig_OBResidueIter_BeginAtom", (DL_FUNC) &R_swig_OBResidueIter_BeginAtom, 2},
43749    {"R_swig_delete_OBSmartsMatcher", (DL_FUNC) &R_swig_delete_OBSmartsMatcher, 1},
43750    {"R_swig_new_OBSmartsMatcher", (DL_FUNC) &R_swig_new_OBSmartsMatcher, 0},
43751    {"R_swig_OBQueryBond_Matches", (DL_FUNC) &R_swig_OBQueryBond_Matches, 3},
43752    {"R_swig_OBQueryAtom_Matches", (DL_FUNC) &R_swig_OBQueryAtom_Matches, 3},
43753    {"R_swig_OBSmartsPattern_NumMatches", (DL_FUNC) &R_swig_OBSmartsPattern_NumMatches, 2},
43754    {"R_swig_VZero_get", (DL_FUNC) &R_swig_VZero_get, 1},
43755    {"R_swig_OBMolAtomDFSIter_GetHyb", (DL_FUNC) &R_swig_OBMolAtomDFSIter_GetHyb, 2},
43756    {"R_swig_OBMolAtomIter_GetHyb", (DL_FUNC) &R_swig_OBMolAtomIter_GetHyb, 2},
43757    {"R_swig_OBAtom_GetHyb", (DL_FUNC) &R_swig_OBAtom_GetHyb, 2},
43758    {"R_swig_OBMolAtomBFSIter_GetHyb", (DL_FUNC) &R_swig_OBMolAtomBFSIter_GetHyb, 2},
43759    {"R_swig_OBAtomAtomIter_GetHyb", (DL_FUNC) &R_swig_OBAtomAtomIter_GetHyb, 2},
43760    {"R_swig_OBResidueAtomIter_GetHyb", (DL_FUNC) &R_swig_OBResidueAtomIter_GetHyb, 2},
43761    {"R_swig_OBRotamerList_NumBaseCoordinateSets", (DL_FUNC) &R_swig_OBRotamerList_NumBaseCoordinateSets, 2},
43762    {"R_swig_OBRingSearch_EndRings", (DL_FUNC) &R_swig_OBRingSearch_EndRings, 2},
43763    {"R_swig_OBRingData_EndRings", (DL_FUNC) &R_swig_OBRingData_EndRings, 2},
43764    {"R_swig_OBFFConstraints_IsXFixed", (DL_FUNC) &R_swig_OBFFConstraints_IsXFixed, 3},
43765    {"R_swig_VY_get", (DL_FUNC) &R_swig_VY_get, 1},
43766    {"R_swig_OBMolAtomDFSIter_IsHeteroatom", (DL_FUNC) &R_swig_OBMolAtomDFSIter_IsHeteroatom, 2},
43767    {"R_swig_OBMolAtomIter_IsHeteroatom", (DL_FUNC) &R_swig_OBMolAtomIter_IsHeteroatom, 2},
43768    {"R_swig_OBAtom_IsHeteroatom", (DL_FUNC) &R_swig_OBAtom_IsHeteroatom, 2},
43769    {"R_swig_OBMolAtomBFSIter_IsHeteroatom", (DL_FUNC) &R_swig_OBMolAtomBFSIter_IsHeteroatom, 2},
43770    {"R_swig_OBAtomAtomIter_IsHeteroatom", (DL_FUNC) &R_swig_OBAtomAtomIter_IsHeteroatom, 2},
43771    {"R_swig_OBResidueAtomIter_IsHeteroatom", (DL_FUNC) &R_swig_OBResidueAtomIter_IsHeteroatom, 2},
43772    {"R_swig_OBMolAtomDFSIter_IsInRingSize", (DL_FUNC) &R_swig_OBMolAtomDFSIter_IsInRingSize, 3},
43773    {"R_swig_OBMolAtomDFSIter_MemberOfRingSize", (DL_FUNC) &R_swig_OBMolAtomDFSIter_MemberOfRingSize, 2},
43774    {"R_swig_OBMolAtomIter_IsInRingSize", (DL_FUNC) &R_swig_OBMolAtomIter_IsInRingSize, 3},
43775    {"R_swig_OBMolAtomIter_MemberOfRingSize", (DL_FUNC) &R_swig_OBMolAtomIter_MemberOfRingSize, 2},
43776    {"R_swig_CompareRingSize", (DL_FUNC) &R_swig_CompareRingSize, 3},
43777    {"R_swig_OBAtom_MemberOfRingSize", (DL_FUNC) &R_swig_OBAtom_MemberOfRingSize, 2},
43778    {"R_swig_OBAtom_IsInRingSize", (DL_FUNC) &R_swig_OBAtom_IsInRingSize, 3},
43779    {"R_swig_OBMolAtomBFSIter_MemberOfRingSize", (DL_FUNC) &R_swig_OBMolAtomBFSIter_MemberOfRingSize, 2},
43780    {"R_swig_OBMolAtomBFSIter_IsInRingSize", (DL_FUNC) &R_swig_OBMolAtomBFSIter_IsInRingSize, 3},
43781    {"R_swig_OBAtomAtomIter_MemberOfRingSize", (DL_FUNC) &R_swig_OBAtomAtomIter_MemberOfRingSize, 2},
43782    {"R_swig_OBAtomAtomIter_IsInRingSize", (DL_FUNC) &R_swig_OBAtomAtomIter_IsInRingSize, 3},
43783    {"R_swig_OBResidueAtomIter_MemberOfRingSize", (DL_FUNC) &R_swig_OBResidueAtomIter_MemberOfRingSize, 2},
43784    {"R_swig_OBResidueAtomIter_IsInRingSize", (DL_FUNC) &R_swig_OBResidueAtomIter_IsInRingSize, 3},
43785    {"R_swig_FastSearch_ReadIndex", (DL_FUNC) &R_swig_FastSearch_ReadIndex, 3},
43786    {"R_swig_OBFreeGrid_NumPoints", (DL_FUNC) &R_swig_OBFreeGrid_NumPoints, 2},
43787    {"R_swig_OBFFConstraint_b_set", (DL_FUNC) &R_swig_OBFFConstraint_b_set, 2},
43788    {"R_swig_OBFFCalculation2_idx_b_set", (DL_FUNC) &R_swig_OBFFCalculation2_idx_b_set, 2},
43789    {"R_swig_OBFFCalculation2_b_set", (DL_FUNC) &R_swig_OBFFCalculation2_b_set, 2},
43790    {"R_swig_OBFFParameter_b_set", (DL_FUNC) &R_swig_OBFFParameter_b_set, 2},
43791    {"R_swig_OBRotor_GetDelta", (DL_FUNC) &R_swig_OBRotor_GetDelta, 2},
43792    {"R_swig_OBRotor_SetDelta", (DL_FUNC) &R_swig_OBRotor_SetDelta, 2},
43793    {"R_swig_OBRotorRule_GetDelta", (DL_FUNC) &R_swig_OBRotorRule_GetDelta, 2},
43794    {"R_swig_OBRotorRule_SetDelta", (DL_FUNC) &R_swig_OBRotorRule_SetDelta, 2},
43795    {"R_swig_FastSearchIndexer_Add", (DL_FUNC) &R_swig_FastSearchIndexer_Add, 4},
43796    {"R_swig_OBFFConstraints_IsZFixed", (DL_FUNC) &R_swig_OBFFConstraints_IsZFixed, 3},
43797    {"R_swig_OBMolAtomDFSIter_ClearBond", (DL_FUNC) &R_swig_OBMolAtomDFSIter_ClearBond, 1},
43798    {"R_swig_OBMolAtomIter_ClearBond", (DL_FUNC) &R_swig_OBMolAtomIter_ClearBond, 1},
43799    {"R_swig_OBAtom_ClearBond", (DL_FUNC) &R_swig_OBAtom_ClearBond, 1},
43800    {"R_swig_OBMolAtomBFSIter_ClearBond", (DL_FUNC) &R_swig_OBMolAtomBFSIter_ClearBond, 1},
43801    {"R_swig_OBAtomAtomIter_ClearBond", (DL_FUNC) &R_swig_OBAtomAtomIter_ClearBond, 1},
43802    {"R_swig_OBResidueAtomIter_ClearBond", (DL_FUNC) &R_swig_OBResidueAtomIter_ClearBond, 1},
43803    {"R_swig_OBElement_GetGreen", (DL_FUNC) &R_swig_OBElement_GetGreen, 2},
43804    {"R_swig_OBBitVec_NextBit", (DL_FUNC) &R_swig_OBBitVec_NextBit, 3},
43805    {"R_swig_OBRotorRule_GetTorsionVals", (DL_FUNC) &R_swig_OBRotorRule_GetTorsionVals, 2},
43806    {"R_swig_stringFromOstream", (DL_FUNC) &R_swig_stringFromOstream, 2},
43807    {"R_swig_OBMessageHandler_SetOutputStream", (DL_FUNC) &R_swig_OBMessageHandler_SetOutputStream, 2},
43808    {"R_swig_OBMessageHandler_GetOutputStream", (DL_FUNC) &R_swig_OBMessageHandler_GetOutputStream, 1},
43809    {"R_swig_OBConversion_GetInStream", (DL_FUNC) &R_swig_OBConversion_GetInStream, 1},
43810    {"R_swig_OBConversion_GetOutStream", (DL_FUNC) &R_swig_OBConversion_GetOutStream, 1},
43811    {"R_swig_OBConversion_SetInStream", (DL_FUNC) &R_swig_OBConversion_SetInStream, 2},
43812    {"R_swig_OBConversion_SetOutStream", (DL_FUNC) &R_swig_OBConversion_SetOutStream, 2},
43813    {"R_swig_OBGlobalDataBase_ParseLine", (DL_FUNC) &R_swig_OBGlobalDataBase_ParseLine, 2},
43814    {"R_swig_FptIndexHeader_words_get", (DL_FUNC) &R_swig_FptIndexHeader_words_get, 2},
43815    {"R_swig_OBTetrahedralConfig_from_or_towards_get", (DL_FUNC) &R_swig_OBTetrahedralConfig_from_or_towards_get, 2},
43816    {"R_swig_delete_OBFFParameter", (DL_FUNC) &R_swig_delete_OBFFParameter, 1},
43817    {"R_swig_new_OBFFParameter", (DL_FUNC) &R_swig_new_OBFFParameter, 0},
43818    {"R_swig_isotab_set", (DL_FUNC) &R_swig_isotab_set, 1},
43819    {"R_swig_ttab_set", (DL_FUNC) &R_swig_ttab_set, 1},
43820    {"R_swig_etab_set", (DL_FUNC) &R_swig_etab_set, 1},
43821    {"R_swig_OBConformerScore_Score", (DL_FUNC) &R_swig_OBConformerScore_Score, 6},
43822    {"R_swig_OBAromaticTyper_ExcludeSmallRing", (DL_FUNC) &R_swig_OBAromaticTyper_ExcludeSmallRing, 2},
43823    {"R_swig_FptIndexHeader_fpid_get", (DL_FUNC) &R_swig_FptIndexHeader_fpid_get, 2},
43824    {"R_swig_NoId_get", (DL_FUNC) &R_swig_NoId_get, 1},
43825    {"R_swig_delete_OBResidueIter", (DL_FUNC) &R_swig_delete_OBResidueIter, 1},
43826    {"R_swig_OBRotor_SetToAngle", (DL_FUNC) &R_swig_OBRotor_SetToAngle, 3},
43827    {"R_swig_ob_make_rmat", (DL_FUNC) &R_swig_ob_make_rmat, 2},
43828    {"R_swig_OBRTree_PathToRoot", (DL_FUNC) &R_swig_OBRTree_PathToRoot, 2},
43829    {"R_swig_delete_OBResidueData", (DL_FUNC) &R_swig_delete_OBResidueData, 1},
43830    {"R_swig_new_OBResidueData", (DL_FUNC) &R_swig_new_OBResidueData, 0},
43831    {"R_swig_vectorvVector3_size", (DL_FUNC) &R_swig_vectorvVector3_size, 2},
43832    {"R_swig_vectorVector3_size", (DL_FUNC) &R_swig_vectorVector3_size, 2},
43833    {"R_swig_OBDescriptor_FilterCompare", (DL_FUNC) &R_swig_OBDescriptor_FilterCompare, 4},
43834    {"R_swig_new_OBElementTable", (DL_FUNC) &R_swig_new_OBElementTable, 0},
43835    {"R_swig_delete_OBElementTable", (DL_FUNC) &R_swig_delete_OBElementTable, 1},
43836    {"R_swig_OBMolAtomDFSIter_HtoMethyl", (DL_FUNC) &R_swig_OBMolAtomDFSIter_HtoMethyl, 2},
43837    {"R_swig_OBMolAtomIter_HtoMethyl", (DL_FUNC) &R_swig_OBMolAtomIter_HtoMethyl, 2},
43838    {"R_swig_OBAtom_HtoMethyl", (DL_FUNC) &R_swig_OBAtom_HtoMethyl, 2},
43839    {"R_swig_OBMolAtomBFSIter_HtoMethyl", (DL_FUNC) &R_swig_OBMolAtomBFSIter_HtoMethyl, 2},
43840    {"R_swig_OBAtomAtomIter_HtoMethyl", (DL_FUNC) &R_swig_OBAtomAtomIter_HtoMethyl, 2},
43841    {"R_swig_OBResidueAtomIter_HtoMethyl", (DL_FUNC) &R_swig_OBResidueAtomIter_HtoMethyl, 2},
43842    {"R_swig_OBConversion_SetMoreFilesToCome", (DL_FUNC) &R_swig_OBConversion_SetMoreFilesToCome, 1},
43843    {"R_swig_OBFFParameter_clear", (DL_FUNC) &R_swig_OBFFParameter_clear, 1},
43844    {"R_swig_vvpairUIntUInt_clear", (DL_FUNC) &R_swig_vvpairUIntUInt_clear, 1},
43845    {"R_swig_OBMessageHandler_SetMaxLogEntries", (DL_FUNC) &R_swig_OBMessageHandler_SetMaxLogEntries, 2},
43846    {"R_swig_OBMessageHandler_GetMaxLogEntries", (DL_FUNC) &R_swig_OBMessageHandler_GetMaxLogEntries, 2},
43847    {"R_swig_OBStopwatch_Start", (DL_FUNC) &R_swig_OBStopwatch_Start, 1},
43848    {"R_swig_OBMol_ReserveAtoms", (DL_FUNC) &R_swig_OBMol_ReserveAtoms, 2},
43849    {"R_swig_DoubleType_hi_set", (DL_FUNC) &R_swig_DoubleType_hi_set, 2},
43850    {"R_swig_OBMessageHandler_GetMessageSummary", (DL_FUNC) &R_swig_OBMessageHandler_GetMessageSummary, 2},
43851    {"R_swig_delete_OBMol", (DL_FUNC) &R_swig_delete_OBMol, 1},
43852    {"R_swig_OBGridData_GetYAxis", (DL_FUNC) &R_swig_OBGridData_GetYAxis, 2},
43853    {"R_swig_OBMolAtomDFSIter_SetHyb", (DL_FUNC) &R_swig_OBMolAtomDFSIter_SetHyb, 2},
43854    {"R_swig_OBMolAtomIter_SetHyb", (DL_FUNC) &R_swig_OBMolAtomIter_SetHyb, 2},
43855    {"R_swig_OBAtom_SetHyb", (DL_FUNC) &R_swig_OBAtom_SetHyb, 2},
43856    {"R_swig_OBMolAtomBFSIter_SetHyb", (DL_FUNC) &R_swig_OBMolAtomBFSIter_SetHyb, 2},
43857    {"R_swig_OBAtomAtomIter_SetHyb", (DL_FUNC) &R_swig_OBAtomAtomIter_SetHyb, 2},
43858    {"R_swig_OBResidueAtomIter_SetHyb", (DL_FUNC) &R_swig_OBResidueAtomIter_SetHyb, 2},
43859    {"R_swig_toVectorData", (DL_FUNC) &R_swig_toVectorData, 1},
43860    {"R_swig_new_OBVectorData", (DL_FUNC) &R_swig_new_OBVectorData, 0},
43861    {"R_swig_delete_OBVectorData", (DL_FUNC) &R_swig_delete_OBVectorData, 1},
43862    {"R_swig_delete_vector3", (DL_FUNC) &R_swig_delete_vector3, 1},
43863    {"R_swig_delete_vectorvVector3", (DL_FUNC) &R_swig_delete_vectorvVector3, 1},
43864    {"R_swig_delete_vectorVector3", (DL_FUNC) &R_swig_delete_vectorVector3, 1},
43865    {"R_swig_OBMolAtomDFSIter_InsertBond", (DL_FUNC) &R_swig_OBMolAtomDFSIter_InsertBond, 3},
43866    {"R_swig_OBMolAtomIter_InsertBond", (DL_FUNC) &R_swig_OBMolAtomIter_InsertBond, 3},
43867    {"R_swig_OBAtom_InsertBond", (DL_FUNC) &R_swig_OBAtom_InsertBond, 3},
43868    {"R_swig_OBMolAtomBFSIter_InsertBond", (DL_FUNC) &R_swig_OBMolAtomBFSIter_InsertBond, 3},
43869    {"R_swig_OBAtomAtomIter_InsertBond", (DL_FUNC) &R_swig_OBAtomAtomIter_InsertBond, 3},
43870    {"R_swig_OBResidueAtomIter_InsertBond", (DL_FUNC) &R_swig_OBResidueAtomIter_InsertBond, 3},
43871    {"R_swig_OBConformerSearch_SetNumChildren", (DL_FUNC) &R_swig_OBConformerSearch_SetNumChildren, 2},
43872    {"R_swig_OBAlign_SetRefMol", (DL_FUNC) &R_swig_OBAlign_SetRefMol, 2},
43873    {"R_swig_OBRotamerList_EndRotamer", (DL_FUNC) &R_swig_OBRotamerList_EndRotamer, 2},
43874    {"R_swig_OBRotamerList_BeginRotamer", (DL_FUNC) &R_swig_OBRotamerList_BeginRotamer, 2},
43875    {"R_swig_OBConversion_GetInLen", (DL_FUNC) &R_swig_OBConversion_GetInLen, 2},
43876    {"R_swig_OBMolAtomDFSIter_ForceImplH", (DL_FUNC) &R_swig_OBMolAtomDFSIter_ForceImplH, 1},
43877    {"R_swig_OBMolAtomIter_ForceImplH", (DL_FUNC) &R_swig_OBMolAtomIter_ForceImplH, 1},
43878    {"R_swig_OBAtom_ForceImplH", (DL_FUNC) &R_swig_OBAtom_ForceImplH, 1},
43879    {"R_swig_OBMolAtomBFSIter_ForceImplH", (DL_FUNC) &R_swig_OBMolAtomBFSIter_ForceImplH, 1},
43880    {"R_swig_OBAtomAtomIter_ForceImplH", (DL_FUNC) &R_swig_OBAtomAtomIter_ForceImplH, 1},
43881    {"R_swig_OBResidueAtomIter_ForceImplH", (DL_FUNC) &R_swig_OBResidueAtomIter_ForceImplH, 1},
43882    {"R_swig_OBResidue_SetChainNum", (DL_FUNC) &R_swig_OBResidue_SetChainNum, 2},
43883    {"R_swig_OBResidue_GetChainNum", (DL_FUNC) &R_swig_OBResidue_GetChainNum, 2},
43884    {"R_swig_OBSetData_AddData", (DL_FUNC) &R_swig_OBSetData_AddData, 2},
43885    {"R_swig_OBResidueIter_SetChainNum", (DL_FUNC) &R_swig_OBResidueIter_SetChainNum, 2},
43886    {"R_swig_OBResidueIter_GetChainNum", (DL_FUNC) &R_swig_OBResidueIter_GetChainNum, 2},
43887    {"R_swig_OBBond_SetWedgeOrHash", (DL_FUNC) &R_swig_OBBond_SetWedgeOrHash, 1},
43888    {"R_swig_OBBond_IsWedgeOrHash", (DL_FUNC) &R_swig_OBBond_IsWedgeOrHash, 2},
43889    {"R_swig_OBMolBondBFSIter_SetWedgeOrHash", (DL_FUNC) &R_swig_OBMolBondBFSIter_SetWedgeOrHash, 1},
43890    {"R_swig_OBMolBondBFSIter_IsWedgeOrHash", (DL_FUNC) &R_swig_OBMolBondBFSIter_IsWedgeOrHash, 2},
43891    {"R_swig_OBMolBondIter_SetWedgeOrHash", (DL_FUNC) &R_swig_OBMolBondIter_SetWedgeOrHash, 1},
43892    {"R_swig_OBMolBondIter_IsWedgeOrHash", (DL_FUNC) &R_swig_OBMolBondIter_IsWedgeOrHash, 2},
43893    {"R_swig_OBAtomBondIter_SetWedgeOrHash", (DL_FUNC) &R_swig_OBAtomBondIter_SetWedgeOrHash, 1},
43894    {"R_swig_OBAtomBondIter_IsWedgeOrHash", (DL_FUNC) &R_swig_OBAtomBondIter_IsWedgeOrHash, 2},
43895    {"R_swig_matrix3x3_RotAboutAxisByAngle", (DL_FUNC) &R_swig_matrix3x3_RotAboutAxisByAngle, 3},
43896    {"R_swig_OBRingSearch_SortRings", (DL_FUNC) &R_swig_OBRingSearch_SortRings, 1},
43897    {"R_swig_OBForceField_GetNumElectrostaticPairs", (DL_FUNC) &R_swig_OBForceField_GetNumElectrostaticPairs, 2},
43898    {"R_swig_delete_AliasData", (DL_FUNC) &R_swig_delete_AliasData, 1},
43899    {"R_swig_new_AliasData", (DL_FUNC) &R_swig_new_AliasData, 0},
43900    {"R_swig_toAliasData", (DL_FUNC) &R_swig_toAliasData, 1},
43901    {"R_swig_OBChargeModel_GetDipoleMoment", (DL_FUNC) &R_swig_OBChargeModel_GetDipoleMoment, 3},
43902    {"R_swig_OBSpectrophore_GetSpectrophore", (DL_FUNC) &R_swig_OBSpectrophore_GetSpectrophore, 3},
43903    {"R_swig_delete_OBSpectrophore", (DL_FUNC) &R_swig_delete_OBSpectrophore, 1},
43904    {"R_swig_OBGlobalDataBase_SetReadDirectory", (DL_FUNC) &R_swig_OBGlobalDataBase_SetReadDirectory, 2},
43905    {"R_swig_OBMolAtomDFSIter_GetIndex", (DL_FUNC) &R_swig_OBMolAtomDFSIter_GetIndex, 2},
43906    {"R_swig_OBMolAtomIter_GetIndex", (DL_FUNC) &R_swig_OBMolAtomIter_GetIndex, 2},
43907    {"R_swig_OBQueryBond_GetIndex", (DL_FUNC) &R_swig_OBQueryBond_GetIndex, 2},
43908    {"R_swig_OBQueryAtom_GetIndex", (DL_FUNC) &R_swig_OBQueryAtom_GetIndex, 2},
43909    {"R_swig_OBConversion_GetOutputIndex", (DL_FUNC) &R_swig_OBConversion_GetOutputIndex, 2},
43910    {"R_swig_OBConversion_SetOutputIndex", (DL_FUNC) &R_swig_OBConversion_SetOutputIndex, 2},
43911    {"R_swig_OBAtom_GetIndex", (DL_FUNC) &R_swig_OBAtom_GetIndex, 2},
43912    {"R_swig_OBRotor_RemoveSymTorsionValues", (DL_FUNC) &R_swig_OBRotor_RemoveSymTorsionValues, 2},
43913    {"R_swig_OBRotor_GetTorsionValues", (DL_FUNC) &R_swig_OBRotor_GetTorsionValues, 2},
43914    {"R_swig_OBRotor_SetTorsionValues", (DL_FUNC) &R_swig_OBRotor_SetTorsionValues, 2},
43915    {"R_swig_OBDescriptor_GetValues", (DL_FUNC) &R_swig_OBDescriptor_GetValues, 3},
43916    {"R_swig_OBGridData_GetValues", (DL_FUNC) &R_swig_OBGridData_GetValues, 2},
43917    {"R_swig_OBGridData_SetValues", (DL_FUNC) &R_swig_OBGridData_SetValues, 2},
43918    {"R_swig_OBMolAtomBFSIter_GetIndex", (DL_FUNC) &R_swig_OBMolAtomBFSIter_GetIndex, 2},
43919    {"R_swig_OBAtomAtomIter_GetIndex", (DL_FUNC) &R_swig_OBAtomAtomIter_GetIndex, 2},
43920    {"R_swig_OBResidueAtomIter_GetIndex", (DL_FUNC) &R_swig_OBResidueAtomIter_GetIndex, 2},
43921    {"R_swig_OBGraphSym_ClearSymmetry", (DL_FUNC) &R_swig_OBGraphSym_ClearSymmetry, 1},
43922    {"R_swig_OBGraphSym_GetSymmetry", (DL_FUNC) &R_swig_OBGraphSym_GetSymmetry, 3},
43923    {"R_swig_OBAtomHOF_Element", (DL_FUNC) &R_swig_OBAtomHOF_Element, 2},
43924    {"R_swig_delete_OBElement", (DL_FUNC) &R_swig_delete_OBElement, 1},
43925    {"R_swig_OBMolAtomDFSIter_IsChiral", (DL_FUNC) &R_swig_OBMolAtomDFSIter_IsChiral, 2},
43926    {"R_swig_OBMolAtomIter_IsChiral", (DL_FUNC) &R_swig_OBMolAtomIter_IsChiral, 2},
43927    {"R_swig_OBMol_IsChiral", (DL_FUNC) &R_swig_OBMol_IsChiral, 2},
43928    {"R_swig_OBAtom_IsChiral", (DL_FUNC) &R_swig_OBAtom_IsChiral, 2},
43929    {"R_swig_OBMolAtomBFSIter_IsChiral", (DL_FUNC) &R_swig_OBMolAtomBFSIter_IsChiral, 2},
43930    {"R_swig_OBAtomAtomIter_IsChiral", (DL_FUNC) &R_swig_OBAtomAtomIter_IsChiral, 2},
43931    {"R_swig_OBResidueAtomIter_IsChiral", (DL_FUNC) &R_swig_OBResidueAtomIter_IsChiral, 2},
43932    {"R_swig_OBMolAtomDFSIter_NextBond", (DL_FUNC) &R_swig_OBMolAtomDFSIter_NextBond, 2},
43933    {"R_swig_OBMolAtomIter_NextBond", (DL_FUNC) &R_swig_OBMolAtomIter_NextBond, 2},
43934    {"R_swig_OBAtom_NextBond", (DL_FUNC) &R_swig_OBAtom_NextBond, 2},
43935    {"R_swig_OBMolAtomBFSIter_NextBond", (DL_FUNC) &R_swig_OBMolAtomBFSIter_NextBond, 2},
43936    {"R_swig_OBAtomAtomIter_NextBond", (DL_FUNC) &R_swig_OBAtomAtomIter_NextBond, 2},
43937    {"R_swig_OBResidueAtomIter_NextBond", (DL_FUNC) &R_swig_OBResidueAtomIter_NextBond, 2},
43938    {"R_swig_OBForceField_DistanceGeometry", (DL_FUNC) &R_swig_OBForceField_DistanceGeometry, 1},
43939    {"R_swig_OBBond_IsDoubleBondGeometry", (DL_FUNC) &R_swig_OBBond_IsDoubleBondGeometry, 2},
43940    {"R_swig_OBMolBondBFSIter_IsDoubleBondGeometry", (DL_FUNC) &R_swig_OBMolBondBFSIter_IsDoubleBondGeometry, 2},
43941    {"R_swig_OBMolBondIter_IsDoubleBondGeometry", (DL_FUNC) &R_swig_OBMolBondIter_IsDoubleBondGeometry, 2},
43942    {"R_swig_OBAtomBondIter_IsDoubleBondGeometry", (DL_FUNC) &R_swig_OBAtomBondIter_IsDoubleBondGeometry, 2},
43943    {"R_swig_OBForceField_ConjugateGradientsTakeNSteps", (DL_FUNC) &R_swig_OBForceField_ConjugateGradientsTakeNSteps, 3},
43944    {"R_swig_OBForceField_SteepestDescentTakeNSteps", (DL_FUNC) &R_swig_OBForceField_SteepestDescentTakeNSteps, 3},
43945    {"R_swig_OBMol_AssignTotalChargeToAtoms", (DL_FUNC) &R_swig_OBMol_AssignTotalChargeToAtoms, 3},
43946    {"R_swig_delete_OBMolAtomDFSIter", (DL_FUNC) &R_swig_delete_OBMolAtomDFSIter, 1},
43947    {"R_swig_delete_OBMolAtomBFSIter", (DL_FUNC) &R_swig_delete_OBMolAtomBFSIter, 1},
43948    {"R_swig_delete_OBMolBondBFSIter", (DL_FUNC) &R_swig_delete_OBMolBondBFSIter, 1},
43949    {"R_swig_OBPlugin_Begin", (DL_FUNC) &R_swig_OBPlugin_Begin, 2},
43950    {"R_swig_OBMolAtomDFSIter_IsAromatic", (DL_FUNC) &R_swig_OBMolAtomDFSIter_IsAromatic, 2},
43951    {"R_swig_OBMolAtomDFSIter_UnsetAromatic", (DL_FUNC) &R_swig_OBMolAtomDFSIter_UnsetAromatic, 1},
43952    {"R_swig_OBMolAtomDFSIter_SetAromatic", (DL_FUNC) &R_swig_OBMolAtomDFSIter_SetAromatic, 1},
43953    {"R_swig_OBMolAtomIter_IsAromatic", (DL_FUNC) &R_swig_OBMolAtomIter_IsAromatic, 2},
43954    {"R_swig_OBMolAtomIter_UnsetAromatic", (DL_FUNC) &R_swig_OBMolAtomIter_UnsetAromatic, 1},
43955    {"R_swig_OBMolAtomIter_SetAromatic", (DL_FUNC) &R_swig_OBMolAtomIter_SetAromatic, 1},
43956    {"R_swig_OBRing_IsAromatic", (DL_FUNC) &R_swig_OBRing_IsAromatic, 2},
43957    {"R_swig_OBAromaticTyper_PropagatePotentialAromatic", (DL_FUNC) &R_swig_OBAromaticTyper_PropagatePotentialAromatic, 2},
43958    {"R_swig_OBAtom_SetAromatic", (DL_FUNC) &R_swig_OBAtom_SetAromatic, 1},
43959    {"R_swig_OBAtom_UnsetAromatic", (DL_FUNC) &R_swig_OBAtom_UnsetAromatic, 1},
43960    {"R_swig_OBAtom_IsAromatic", (DL_FUNC) &R_swig_OBAtom_IsAromatic, 2},
43961    {"R_swig_OBBond_SetAromatic", (DL_FUNC) &R_swig_OBBond_SetAromatic, 1},
43962    {"R_swig_OBBond_UnsetAromatic", (DL_FUNC) &R_swig_OBBond_UnsetAromatic, 1},
43963    {"R_swig_OBBond_IsAromatic", (DL_FUNC) &R_swig_OBBond_IsAromatic, 2},
43964    {"R_swig_OBMolAtomBFSIter_SetAromatic", (DL_FUNC) &R_swig_OBMolAtomBFSIter_SetAromatic, 1},
43965    {"R_swig_OBMolAtomBFSIter_UnsetAromatic", (DL_FUNC) &R_swig_OBMolAtomBFSIter_UnsetAromatic, 1},
43966    {"R_swig_OBMolAtomBFSIter_IsAromatic", (DL_FUNC) &R_swig_OBMolAtomBFSIter_IsAromatic, 2},
43967    {"R_swig_OBMolBondBFSIter_SetAromatic", (DL_FUNC) &R_swig_OBMolBondBFSIter_SetAromatic, 1},
43968    {"R_swig_OBMolBondBFSIter_UnsetAromatic", (DL_FUNC) &R_swig_OBMolBondBFSIter_UnsetAromatic, 1},
43969    {"R_swig_OBMolBondBFSIter_IsAromatic", (DL_FUNC) &R_swig_OBMolBondBFSIter_IsAromatic, 2},
43970    {"R_swig_OBMolBondIter_SetAromatic", (DL_FUNC) &R_swig_OBMolBondIter_SetAromatic, 1},
43971    {"R_swig_OBMolBondIter_UnsetAromatic", (DL_FUNC) &R_swig_OBMolBondIter_UnsetAromatic, 1},
43972    {"R_swig_OBMolBondIter_IsAromatic", (DL_FUNC) &R_swig_OBMolBondIter_IsAromatic, 2},
43973    {"R_swig_OBAtomAtomIter_SetAromatic", (DL_FUNC) &R_swig_OBAtomAtomIter_SetAromatic, 1},
43974    {"R_swig_OBAtomAtomIter_UnsetAromatic", (DL_FUNC) &R_swig_OBAtomAtomIter_UnsetAromatic, 1},
43975    {"R_swig_OBAtomAtomIter_IsAromatic", (DL_FUNC) &R_swig_OBAtomAtomIter_IsAromatic, 2},
43976    {"R_swig_OBAtomBondIter_SetAromatic", (DL_FUNC) &R_swig_OBAtomBondIter_SetAromatic, 1},
43977    {"R_swig_OBAtomBondIter_UnsetAromatic", (DL_FUNC) &R_swig_OBAtomBondIter_UnsetAromatic, 1},
43978    {"R_swig_OBAtomBondIter_IsAromatic", (DL_FUNC) &R_swig_OBAtomBondIter_IsAromatic, 2},
43979    {"R_swig_OBResidueAtomIter_SetAromatic", (DL_FUNC) &R_swig_OBResidueAtomIter_SetAromatic, 1},
43980    {"R_swig_OBResidueAtomIter_UnsetAromatic", (DL_FUNC) &R_swig_OBResidueAtomIter_UnsetAromatic, 1},
43981    {"R_swig_OBResidueAtomIter_IsAromatic", (DL_FUNC) &R_swig_OBResidueAtomIter_IsAromatic, 2},
43982    {"R_swig_OBMolRingIter_IsAromatic", (DL_FUNC) &R_swig_OBMolRingIter_IsAromatic, 2},
43983    {"R_swig_OBMol_GetEnergies", (DL_FUNC) &R_swig_OBMol_GetEnergies, 2},
43984    {"R_swig_OBMol_SetEnergies", (DL_FUNC) &R_swig_OBMol_SetEnergies, 2},
43985    {"R_swig_OBConformerData_GetEnergies", (DL_FUNC) &R_swig_OBConformerData_GetEnergies, 2},
43986    {"R_swig_OBConformerData_SetEnergies", (DL_FUNC) &R_swig_OBConformerData_SetEnergies, 2},
43987    {"R_swig_OBDOSData_GetEnergies", (DL_FUNC) &R_swig_OBDOSData_GetEnergies, 2},
43988    {"R_swig_OBRotorKeys_Next", (DL_FUNC) &R_swig_OBRotorKeys_Next, 2},
43989    {"R_swig_delete_rotor_digit", (DL_FUNC) &R_swig_delete_rotor_digit, 1},
43990    {"R_swig_OBRotorList_AssignTorVals", (DL_FUNC) &R_swig_OBRotorList_AssignTorVals, 3},
43991    {"R_swig_OBRotorList_Setup", (DL_FUNC) &R_swig_OBRotorList_Setup, 3},
43992    {"R_swig_OBFFCalculation3_force_c_set", (DL_FUNC) &R_swig_OBFFCalculation3_force_c_set, 2},
43993    {"R_swig_OBFFCalculation3_pos_c_set", (DL_FUNC) &R_swig_OBFFCalculation3_pos_c_set, 2},
43994    {"R_swig_OBFFCalculation3_c_set", (DL_FUNC) &R_swig_OBFFCalculation3_c_set, 2},
43995    {"R_swig_OBFFParameter__c_set", (DL_FUNC) &R_swig_OBFFParameter__c_set, 2},
43996    {"R_swig_OBInternalCoord__c_set", (DL_FUNC) &R_swig_OBInternalCoord__c_set, 2},
43997    {"R_swig_OBSymmetryData_GetPointGroup", (DL_FUNC) &R_swig_OBSymmetryData_GetPointGroup, 2},
43998    {"R_swig_OBSymmetryData_SetPointGroup", (DL_FUNC) &R_swig_OBSymmetryData_SetPointGroup, 2},
43999    {"R_swig_OBStereo_Permutate", (DL_FUNC) &R_swig_OBStereo_Permutate, 3},
44000    {"R_swig_OBInternalCoord__ang_get", (DL_FUNC) &R_swig_OBInternalCoord__ang_get, 2},
44001    {"R_swig_OBTetrahedralConfig_winding_get", (DL_FUNC) &R_swig_OBTetrahedralConfig_winding_get, 2},
44002    {"R_swig_delete_OBRotorList", (DL_FUNC) &R_swig_delete_OBRotorList, 1},
44003    {"R_swig_new_OBRotorList", (DL_FUNC) &R_swig_new_OBRotorList, 0},
44004    {"R_swig_OBResidue_IsResidueType", (DL_FUNC) &R_swig_OBResidue_IsResidueType, 3},
44005    {"R_swig_OBResidueIter_IsResidueType", (DL_FUNC) &R_swig_OBResidueIter_IsResidueType, 3},
44006    {"R_swig_OBRotor_EndTorIncrement", (DL_FUNC) &R_swig_OBRotor_EndTorIncrement, 2},
44007    {"R_swig_OBRotor_BeginTorIncrement", (DL_FUNC) &R_swig_OBRotor_BeginTorIncrement, 2},
44008    {"R_swig_OBMolAtomDFSIter_BeginBond", (DL_FUNC) &R_swig_OBMolAtomDFSIter_BeginBond, 2},
44009    {"R_swig_OBMolAtomIter_BeginBond", (DL_FUNC) &R_swig_OBMolAtomIter_BeginBond, 2},
44010    {"R_swig_OBAtom_BeginBond", (DL_FUNC) &R_swig_OBAtom_BeginBond, 2},
44011    {"R_swig_OBMolAtomBFSIter_BeginBond", (DL_FUNC) &R_swig_OBMolAtomBFSIter_BeginBond, 2},
44012    {"R_swig_OBAtomAtomIter_BeginBond", (DL_FUNC) &R_swig_OBAtomAtomIter_BeginBond, 2},
44013    {"R_swig_OBResidueAtomIter_BeginBond", (DL_FUNC) &R_swig_OBResidueAtomIter_BeginBond, 2},
44014    {"R_swig_OBConformerSearch_SetFixedBonds", (DL_FUNC) &R_swig_OBConformerSearch_SetFixedBonds, 2},
44015    {"R_swig_OBRotorList_SetFixedBonds", (DL_FUNC) &R_swig_OBRotorList_SetFixedBonds, 2},
44016    {"R_swig_OBRotorList_HasFixedBonds", (DL_FUNC) &R_swig_OBRotorList_HasFixedBonds, 2},
44017    {"R_swig_OBRotor_GetFixedBonds", (DL_FUNC) &R_swig_OBRotor_GetFixedBonds, 2},
44018    {"R_swig_OBRotor_SetFixedBonds", (DL_FUNC) &R_swig_OBRotor_SetFixedBonds, 2},
44019    {"R_swig_OBBuilder_Swap", (DL_FUNC) &R_swig_OBBuilder_Swap, 6},
44020    {"R_swig_OBRing__pathset_set", (DL_FUNC) &R_swig_OBRing__pathset_set, 2},
44021    {"R_swig_OBMolRingIter__pathset_set", (DL_FUNC) &R_swig_OBMolRingIter__pathset_set, 2},
44022    {"R_swig_delete_OBQueryAtom", (DL_FUNC) &R_swig_delete_OBQueryAtom, 1},
44023    {"R_swig_delete_OBMolBondIter", (DL_FUNC) &R_swig_delete_OBMolBondIter, 1},
44024    {"R_swig_delete_OBAtomBondIter", (DL_FUNC) &R_swig_delete_OBAtomBondIter, 1},
44025    {"R_swig_OBStereo_NumInversions", (DL_FUNC) &R_swig_OBStereo_NumInversions, 2},
44026    {"R_swig_OBMol_FindTorsions", (DL_FUNC) &R_swig_OBMol_FindTorsions, 1},
44027    {"R_swig_OBMolAtomIter_EndData", (DL_FUNC) &R_swig_OBMolAtomIter_EndData, 2},
44028    {"R_swig_delete_OBExternalBondData", (DL_FUNC) &R_swig_delete_OBExternalBondData, 1},
44029    {"R_swig_new_OBExternalBondData", (DL_FUNC) &R_swig_new_OBExternalBondData, 0},
44030    {"R_swig_OBBase_EndData", (DL_FUNC) &R_swig_OBBase_EndData, 2},
44031    {"R_swig_toExternalBondData", (DL_FUNC) &R_swig_toExternalBondData, 1},
44032    {"R_swig_OBFFConstraint_gradc_get", (DL_FUNC) &R_swig_OBFFConstraint_gradc_get, 2},
44033    {"R_swig_OBMolAtomDFSIter_EndData", (DL_FUNC) &R_swig_OBMolAtomDFSIter_EndData, 2},
44034    {"R_swig_OBMolAtomBFSIter_EndData", (DL_FUNC) &R_swig_OBMolAtomBFSIter_EndData, 2},
44035    {"R_swig_OBMolBondBFSIter_EndData", (DL_FUNC) &R_swig_OBMolBondBFSIter_EndData, 2},
44036    {"R_swig_OBMolBondIter_EndData", (DL_FUNC) &R_swig_OBMolBondIter_EndData, 2},
44037    {"R_swig_OBAtomAtomIter_EndData", (DL_FUNC) &R_swig_OBAtomAtomIter_EndData, 2},
44038    {"R_swig_OBAtomBondIter_EndData", (DL_FUNC) &R_swig_OBAtomBondIter_EndData, 2},
44039    {"R_swig_OBResidueIter_EndData", (DL_FUNC) &R_swig_OBResidueIter_EndData, 2},
44040    {"R_swig_OBResidueAtomIter_EndData", (DL_FUNC) &R_swig_OBResidueAtomIter_EndData, 2},
44041    {"R_swig_OBMol_FindAngles", (DL_FUNC) &R_swig_OBMol_FindAngles, 1},
44042    {"R_swig_SpaceGroup_NextTransform", (DL_FUNC) &R_swig_SpaceGroup_NextTransform, 2},
44043    {"R_swig_SpaceGroup_BeginTransform", (DL_FUNC) &R_swig_SpaceGroup_BeginTransform, 2},
44044    {"R_swig_SpaceGroup_Transform", (DL_FUNC) &R_swig_SpaceGroup_Transform, 3},
44045    {"R_swig_SpaceGroup_AddTransform", (DL_FUNC) &R_swig_SpaceGroup_AddTransform, 2},
44046    {"R_swig_OBForceField_GetNumPairs", (DL_FUNC) &R_swig_OBForceField_GetNumPairs, 2},
44047    {"R_swig_OBMolAtomDFSIter_IsInRing", (DL_FUNC) &R_swig_OBMolAtomDFSIter_IsInRing, 2},
44048    {"R_swig_OBMolAtomIter_IsInRing", (DL_FUNC) &R_swig_OBMolAtomIter_IsInRing, 2},
44049    {"R_swig_OBRing_IsInRing", (DL_FUNC) &R_swig_OBRing_IsInRing, 3},
44050    {"R_swig_OBAtom_IsInRing", (DL_FUNC) &R_swig_OBAtom_IsInRing, 2},
44051    {"R_swig_OBBond_IsInRing", (DL_FUNC) &R_swig_OBBond_IsInRing, 2},
44052    {"R_swig_OBMolAtomBFSIter_IsInRing", (DL_FUNC) &R_swig_OBMolAtomBFSIter_IsInRing, 2},
44053    {"R_swig_OBMolBondBFSIter_IsInRing", (DL_FUNC) &R_swig_OBMolBondBFSIter_IsInRing, 2},
44054    {"R_swig_OBMolBondIter_IsInRing", (DL_FUNC) &R_swig_OBMolBondIter_IsInRing, 2},
44055    {"R_swig_OBAtomAtomIter_IsInRing", (DL_FUNC) &R_swig_OBAtomAtomIter_IsInRing, 2},
44056    {"R_swig_OBAtomBondIter_IsInRing", (DL_FUNC) &R_swig_OBAtomBondIter_IsInRing, 2},
44057    {"R_swig_OBResidueAtomIter_IsInRing", (DL_FUNC) &R_swig_OBResidueAtomIter_IsInRing, 2},
44058    {"R_swig_OBMolRingIter_IsInRing", (DL_FUNC) &R_swig_OBMolRingIter_IsInRing, 3},
44059    {"R_swig_ResNo_get", (DL_FUNC) &R_swig_ResNo_get, 1},
44060    {"R_swig_ElemNo_get", (DL_FUNC) &R_swig_ElemNo_get, 1},
44061    {"R_swig_OBQuery_AddAtom", (DL_FUNC) &R_swig_OBQuery_AddAtom, 2},
44062    {"R_swig_OBResidue_AddAtom", (DL_FUNC) &R_swig_OBResidue_AddAtom, 2},
44063    {"R_swig_OBResidueIter_AddAtom", (DL_FUNC) &R_swig_OBResidueIter_AddAtom, 2},
44064    {"R_swig_OBFFCalculation2_force_a_get", (DL_FUNC) &R_swig_OBFFCalculation2_force_a_get, 2},
44065    {"R_swig_OBFFCalculation2_pos_a_get", (DL_FUNC) &R_swig_OBFFCalculation2_pos_a_get, 1},
44066    {"R_swig_OBFFParameter__a_get", (DL_FUNC) &R_swig_OBFFParameter__a_get, 2},
44067    {"R_swig_OBInternalCoord__a_get", (DL_FUNC) &R_swig_OBInternalCoord__a_get, 1},
44068    {"R_swig_vvpairUIntUInt_append", (DL_FUNC) &R_swig_vvpairUIntUInt_append, 2},
44069    {"R_swig_OBForceField_DetectExplosion", (DL_FUNC) &R_swig_OBForceField_DetectExplosion, 2},
44070    {"R_swig_DoubleModulus", (DL_FUNC) &R_swig_DoubleModulus, 3},
44071    {"R_swig_FptIndexHeader_datafilename_get", (DL_FUNC) &R_swig_FptIndexHeader_datafilename_get, 2},
44072    {"R_swig_OBForceField_VectorDot", (DL_FUNC) &R_swig_OBForceField_VectorDot, 3},
44073    {"R_swig_OBRotationData_GetRotorType", (DL_FUNC) &R_swig_OBRotationData_GetRotorType, 2},
44074    {"R_swig_new_CharPtrLess", (DL_FUNC) &R_swig_new_CharPtrLess, 0},
44075    {"R_swig_delete_CharPtrLess", (DL_FUNC) &R_swig_delete_CharPtrLess, 1},
44076    {"R_swig_OBMolAtomDFSIter_Visit_set", (DL_FUNC) &R_swig_OBMolAtomDFSIter_Visit_set, 2},
44077    {"R_swig_OBMolAtomIter_Visit_set", (DL_FUNC) &R_swig_OBMolAtomIter_Visit_set, 2},
44078    {"R_swig_OBAtom_Visit_set", (DL_FUNC) &R_swig_OBAtom_Visit_set, 2},
44079    {"R_swig_OBBond_Visit_set", (DL_FUNC) &R_swig_OBBond_Visit_set, 2},
44080    {"R_swig_OBMolAtomBFSIter_Visit_set", (DL_FUNC) &R_swig_OBMolAtomBFSIter_Visit_set, 2},
44081    {"R_swig_OBMolBondBFSIter_Visit_set", (DL_FUNC) &R_swig_OBMolBondBFSIter_Visit_set, 2},
44082    {"R_swig_OBMolBondIter_Visit_set", (DL_FUNC) &R_swig_OBMolBondIter_Visit_set, 2},
44083    {"R_swig_OBAtomAtomIter_Visit_set", (DL_FUNC) &R_swig_OBAtomAtomIter_Visit_set, 2},
44084    {"R_swig_OBAtomBondIter_Visit_set", (DL_FUNC) &R_swig_OBAtomBondIter_Visit_set, 2},
44085    {"R_swig_OBResidueAtomIter_Visit_set", (DL_FUNC) &R_swig_OBResidueAtomIter_Visit_set, 2},
44086    {"R_swig_OBMolAtomDFSIter_GetIdx", (DL_FUNC) &R_swig_OBMolAtomDFSIter_GetIdx, 2},
44087    {"R_swig_OBMolAtomIter_GetIdx", (DL_FUNC) &R_swig_OBMolAtomIter_GetIdx, 2},
44088    {"R_swig_OBRotor_GetIdx", (DL_FUNC) &R_swig_OBRotor_GetIdx, 2},
44089    {"R_swig_OBExternalBond_GetIdx", (DL_FUNC) &R_swig_OBExternalBond_GetIdx, 2},
44090    {"R_swig_OBResidue_GetIdx", (DL_FUNC) &R_swig_OBResidue_GetIdx, 2},
44091    {"R_swig_OBAtom_GetIdx", (DL_FUNC) &R_swig_OBAtom_GetIdx, 2},
44092    {"R_swig_OBBond_GetIdx", (DL_FUNC) &R_swig_OBBond_GetIdx, 2},
44093    {"R_swig_OBMolAtomBFSIter_GetIdx", (DL_FUNC) &R_swig_OBMolAtomBFSIter_GetIdx, 2},
44094    {"R_swig_OBMolBondBFSIter_GetIdx", (DL_FUNC) &R_swig_OBMolBondBFSIter_GetIdx, 2},
44095    {"R_swig_OBMolBondIter_GetIdx", (DL_FUNC) &R_swig_OBMolBondIter_GetIdx, 2},
44096    {"R_swig_OBAtomAtomIter_GetIdx", (DL_FUNC) &R_swig_OBAtomAtomIter_GetIdx, 2},
44097    {"R_swig_OBAtomBondIter_GetIdx", (DL_FUNC) &R_swig_OBAtomBondIter_GetIdx, 2},
44098    {"R_swig_OBResidueIter_GetIdx", (DL_FUNC) &R_swig_OBResidueIter_GetIdx, 2},
44099    {"R_swig_OBResidueAtomIter_GetIdx", (DL_FUNC) &R_swig_OBResidueAtomIter_GetIdx, 2},
44100    {"R_swig_vector3_GetX", (DL_FUNC) &R_swig_vector3_GetX, 2},
44101    {"R_swig_vector3_GetY", (DL_FUNC) &R_swig_vector3_GetY, 2},
44102    {"R_swig_OBMolAtomDFSIter_ImplicitHydrogenCount", (DL_FUNC) &R_swig_OBMolAtomDFSIter_ImplicitHydrogenCount, 2},
44103    {"R_swig_OBMolAtomIter_ImplicitHydrogenCount", (DL_FUNC) &R_swig_OBMolAtomIter_ImplicitHydrogenCount, 2},
44104    {"R_swig_OBAtom_ImplicitHydrogenCount", (DL_FUNC) &R_swig_OBAtom_ImplicitHydrogenCount, 2},
44105    {"R_swig_vector3_GetZ", (DL_FUNC) &R_swig_vector3_GetZ, 2},
44106    {"R_swig_OBMolAtomBFSIter_ImplicitHydrogenCount", (DL_FUNC) &R_swig_OBMolAtomBFSIter_ImplicitHydrogenCount, 2},
44107    {"R_swig_OBAtomAtomIter_ImplicitHydrogenCount", (DL_FUNC) &R_swig_OBAtomAtomIter_ImplicitHydrogenCount, 2},
44108    {"R_swig_OBResidueAtomIter_ImplicitHydrogenCount", (DL_FUNC) &R_swig_OBResidueAtomIter_ImplicitHydrogenCount, 2},
44109    {"R_swig_OBForceField_GetElectrostaticCutOff", (DL_FUNC) &R_swig_OBForceField_GetElectrostaticCutOff, 2},
44110    {"R_swig_OBForceField_SetElectrostaticCutOff", (DL_FUNC) &R_swig_OBForceField_SetElectrostaticCutOff, 2},
44111    {"R_swig_OBForceField_GetVDWCutOff", (DL_FUNC) &R_swig_OBForceField_GetVDWCutOff, 2},
44112    {"R_swig_OBForceField_SetVDWCutOff", (DL_FUNC) &R_swig_OBForceField_SetVDWCutOff, 2},
44113    {"R_swig_OBForceField_EnableCutOff", (DL_FUNC) &R_swig_OBForceField_EnableCutOff, 2},
44114    {"R_swig_OBOp_ProcessVec", (DL_FUNC) &R_swig_OBOp_ProcessVec, 3},
44115    {"R_swig_OBMol_NumHvyAtoms", (DL_FUNC) &R_swig_OBMol_NumHvyAtoms, 2},
44116    {"R_swig_OBMolAngleIter_inc", (DL_FUNC) &R_swig_OBMolAngleIter_inc, 2},
44117    {"R_swig_OBMolTorsionIter_inc", (DL_FUNC) &R_swig_OBMolTorsionIter_inc, 2},
44118    {"R_swig_OBMolPairIter_inc", (DL_FUNC) &R_swig_OBMolPairIter_inc, 2},
44119    {"R_swig_OBMolAtomDFSIter_GetCIdx", (DL_FUNC) &R_swig_OBMolAtomDFSIter_GetCIdx, 2},
44120    {"R_swig_OBMolAtomIter_GetCIdx", (DL_FUNC) &R_swig_OBMolAtomIter_GetCIdx, 2},
44121    {"R_swig_OBAtom_GetCIdx", (DL_FUNC) &R_swig_OBAtom_GetCIdx, 2},
44122    {"R_swig_OBMolAtomBFSIter_GetCIdx", (DL_FUNC) &R_swig_OBMolAtomBFSIter_GetCIdx, 2},
44123    {"R_swig_OBAtomAtomIter_GetCIdx", (DL_FUNC) &R_swig_OBAtomAtomIter_GetCIdx, 2},
44124    {"R_swig_OBResidueAtomIter_GetCIdx", (DL_FUNC) &R_swig_OBResidueAtomIter_GetCIdx, 2},
44125    {"R_swig_chainsparser_get", (DL_FUNC) &R_swig_chainsparser_get, 1},
44126    {"R_swig_OBForceField_RandomRotorSearchInitialize__SWIG_1", (DL_FUNC) &R_swig_OBForceField_RandomRotorSearchInitialize__SWIG_1, 2},
44127    {"R_swig_OBForceField_RandomRotorSearchInitialize__SWIG_0", (DL_FUNC) &R_swig_OBForceField_RandomRotorSearchInitialize__SWIG_0, 3},
44128    {"R_swig_OBBitVec_SetBitOn", (DL_FUNC) &R_swig_OBBitVec_SetBitOn, 2},
44129    {"R_swig_OBFFConstraint_ic_set", (DL_FUNC) &R_swig_OBFFConstraint_ic_set, 2},
44130    {"R_swig_vvpairUIntUInt_back", (DL_FUNC) &R_swig_vvpairUIntUInt_back, 2},
44131    {"R_swig_OBVibrationData_GetIntensities", (DL_FUNC) &R_swig_OBVibrationData_GetIntensities, 2},
44132    {"R_swig_OBDOSData_GetDensities", (DL_FUNC) &R_swig_OBDOSData_GetDensities, 2},
44133    {"R_swig_OBFFConstraint_type_set", (DL_FUNC) &R_swig_OBFFConstraint_type_set, 2},
44134    {"R_swig_OBStereoUnit_type_set", (DL_FUNC) &R_swig_OBStereoUnit_type_set, 2},
44135    {"R_swig_OBCisTransConfig_shape_set", (DL_FUNC) &R_swig_OBCisTransConfig_shape_set, 2},
44136    {"R_swig_OBSquarePlanarConfig_shape_set", (DL_FUNC) &R_swig_OBSquarePlanarConfig_shape_set, 2},
44137    {"R_swig_OBForceField_SteepestDescentInitialize__SWIG_3", (DL_FUNC) &R_swig_OBForceField_SteepestDescentInitialize__SWIG_3, 1},
44138    {"R_swig_OBForceField_SteepestDescentInitialize__SWIG_2", (DL_FUNC) &R_swig_OBForceField_SteepestDescentInitialize__SWIG_2, 2},
44139    {"R_swig_OBForceField_SteepestDescentInitialize__SWIG_1", (DL_FUNC) &R_swig_OBForceField_SteepestDescentInitialize__SWIG_1, 3},
44140    {"R_swig_OBForceField_SteepestDescentInitialize__SWIG_0", (DL_FUNC) &R_swig_OBForceField_SteepestDescentInitialize__SWIG_0, 4},
44141    {"R_swig_OBBuilder_GetFragment", (DL_FUNC) &R_swig_OBBuilder_GetFragment, 2},
44142    {"R_swig_OBMol_FindLargestFragment", (DL_FUNC) &R_swig_OBMol_FindLargestFragment, 2},
44143    {"R_swig_OBMol_GetNextFragment", (DL_FUNC) &R_swig_OBMol_GetNextFragment, 4},
44144    {"R_swig_OBBitVec_SetRangeOff", (DL_FUNC) &R_swig_OBBitVec_SetRangeOff, 3},
44145    {"R_swig_OBRotor_Size", (DL_FUNC) &R_swig_OBRotor_Size, 2},
44146    {"R_swig_OBMolRingIter_Size", (DL_FUNC) &R_swig_OBMolRingIter_Size, 2},
44147    {"R_swig_OBFFConstraint_rab0_get", (DL_FUNC) &R_swig_OBFFConstraint_rab0_get, 2},
44148    {"R_swig_delete_OBAlign", (DL_FUNC) &R_swig_delete_OBAlign, 1},
44149    {"R_swig_OBElementTable_GetRGB", (DL_FUNC) &R_swig_OBElementTable_GetRGB, 3},
44150    {"R_swig_OBFFConstraint_grada_set", (DL_FUNC) &R_swig_OBFFConstraint_grada_set, 2},
44151    {"R_swig_OBRotorList_Size", (DL_FUNC) &R_swig_OBRotorList_Size, 2},
44152    {"R_swig_OBMolAtomDFSIter_BeginBonds", (DL_FUNC) &R_swig_OBMolAtomDFSIter_BeginBonds, 2},
44153    {"R_swig_OBMolAtomIter_BeginBonds", (DL_FUNC) &R_swig_OBMolAtomIter_BeginBonds, 2},
44154    {"R_swig_OBResidueData_AssignBonds", (DL_FUNC) &R_swig_OBResidueData_AssignBonds, 4},
44155    {"R_swig_OBAtom_BeginBonds", (DL_FUNC) &R_swig_OBAtom_BeginBonds, 2},
44156    {"R_swig_OBMolAtomBFSIter_BeginBonds", (DL_FUNC) &R_swig_OBMolAtomBFSIter_BeginBonds, 2},
44157    {"R_swig_OBAtomAtomIter_BeginBonds", (DL_FUNC) &R_swig_OBAtomAtomIter_BeginBonds, 2},
44158    {"R_swig_OBResidueAtomIter_BeginBonds", (DL_FUNC) &R_swig_OBResidueAtomIter_BeginBonds, 2},
44159    {"R_swig_delete_OBAtomClassData", (DL_FUNC) &R_swig_delete_OBAtomClassData, 1},
44160    {"R_swig_new_OBAtomClassData", (DL_FUNC) &R_swig_new_OBAtomClassData, 0},
44161    {"R_swig_toAtomClassData", (DL_FUNC) &R_swig_toAtomClassData, 1},
44162    {"R_swig_OBConformerSearch_SetLogStream", (DL_FUNC) &R_swig_OBConformerSearch_SetLogStream, 2},
44163    {"R_swig_GetUnspecifiedCisTrans", (DL_FUNC) &R_swig_GetUnspecifiedCisTrans, 2},
44164    {"R_swig_OBCisTransStereo_IsTrans", (DL_FUNC) &R_swig_OBCisTransStereo_IsTrans, 4},
44165    {"R_swig_OBSquarePlanarStereo_IsTrans", (DL_FUNC) &R_swig_OBSquarePlanarStereo_IsTrans, 4},
44166    {"R_swig_OBConversion_GetCount", (DL_FUNC) &R_swig_OBConversion_GetCount, 2},
44167    {"R_swig_OBTorsion_GetBondIdx", (DL_FUNC) &R_swig_OBTorsion_GetBondIdx, 2},
44168    {"R_swig_OBForceField_GetNumVDWPairs", (DL_FUNC) &R_swig_OBForceField_GetNumVDWPairs, 2},
44169    {"R_swig_OBForceField_VectorTorsionDerivative__SWIG_1", (DL_FUNC) &R_swig_OBForceField_VectorTorsionDerivative__SWIG_1, 5},
44170    {"R_swig_OBForceField_VectorTorsionDerivative__SWIG_0", (DL_FUNC) &R_swig_OBForceField_VectorTorsionDerivative__SWIG_0, 9},
44171    {"R_swig_OBAtomAtomIter_ExplicitHydrogenCount__SWIG_0", (DL_FUNC) &R_swig_OBAtomAtomIter_ExplicitHydrogenCount__SWIG_0, 3},
44172    {"R_swig_OBAtomAtomIter_ExplicitHydrogenCount__SWIG_1", (DL_FUNC) &R_swig_OBAtomAtomIter_ExplicitHydrogenCount__SWIG_1, 2},
44173    {"R_swig_vector3_IsApprox", (DL_FUNC) &R_swig_vector3_IsApprox, 4},
44174    {"R_swig_OBQueryBond_GetEndAtom", (DL_FUNC) &R_swig_OBQueryBond_GetEndAtom, 1},
44175    {"R_swig_OBBond_GetEndAtom", (DL_FUNC) &R_swig_OBBond_GetEndAtom, 1},
44176    {"R_swig_OBMolBondBFSIter_GetEndAtom", (DL_FUNC) &R_swig_OBMolBondBFSIter_GetEndAtom, 1},
44177    {"R_swig_OBMolBondIter_GetEndAtom", (DL_FUNC) &R_swig_OBMolBondIter_GetEndAtom, 1},
44178    {"R_swig_OBAtomBondIter_GetEndAtom", (DL_FUNC) &R_swig_OBAtomBondIter_GetEndAtom, 1},
44179    {"R_swig_OBFFConstraint_ia_get", (DL_FUNC) &R_swig_OBFFConstraint_ia_get, 2},
44180    {"R_swig_matrix3x3_determinant", (DL_FUNC) &R_swig_matrix3x3_determinant, 2},
44181    {"R_swig_stringp_cast", (DL_FUNC) &R_swig_stringp_cast, 1},
44182    {"R_swig_OBSqrtTbl_Sqrt", (DL_FUNC) &R_swig_OBSqrtTbl_Sqrt, 3},
44183    {"R_swig_OBMolAtomDFSIter_IsHbondDonorH", (DL_FUNC) &R_swig_OBMolAtomDFSIter_IsHbondDonorH, 2},
44184    {"R_swig_OBMolAtomIter_IsHbondDonorH", (DL_FUNC) &R_swig_OBMolAtomIter_IsHbondDonorH, 2},
44185    {"R_swig_OBAtom_IsHbondDonorH", (DL_FUNC) &R_swig_OBAtom_IsHbondDonorH, 2},
44186    {"R_swig_OBMolAtomBFSIter_IsHbondDonorH", (DL_FUNC) &R_swig_OBMolAtomBFSIter_IsHbondDonorH, 2},
44187    {"R_swig_OBAtomAtomIter_IsHbondDonorH", (DL_FUNC) &R_swig_OBAtomAtomIter_IsHbondDonorH, 2},
44188    {"R_swig_OBResidueAtomIter_IsHbondDonorH", (DL_FUNC) &R_swig_OBResidueAtomIter_IsHbondDonorH, 2},
44189    {"R_swig_OBGenericData_GetAttribute", (DL_FUNC) &R_swig_OBGenericData_GetAttribute, 2},
44190    {"R_swig_OBGenericData_SetAttribute", (DL_FUNC) &R_swig_OBGenericData_SetAttribute, 2},
44191    {"R_swig_delete_OBSqrtTbl", (DL_FUNC) &R_swig_delete_OBSqrtTbl, 1},
44192    {"R_swig_OBCisTransStereo_IsCis", (DL_FUNC) &R_swig_OBCisTransStereo_IsCis, 4},
44193    {"R_swig_OBSquarePlanarStereo_IsCis", (DL_FUNC) &R_swig_OBSquarePlanarStereo_IsCis, 4},
44194    {"R_swig_delete_OBStereoUnit", (DL_FUNC) &R_swig_delete_OBStereoUnit, 1},
44195    {"R_swig_OBQuery_GetBonds", (DL_FUNC) &R_swig_OBQuery_GetBonds, 2},
44196    {"R_swig_OBQueryAtom_GetBonds", (DL_FUNC) &R_swig_OBQueryAtom_GetBonds, 2},
44197    {"R_swig_OBElement_GetSymbol", (DL_FUNC) &R_swig_OBElement_GetSymbol, 1},
44198    {"R_swig_OBElementTable_GetSymbol", (DL_FUNC) &R_swig_OBElementTable_GetSymbol, 2},
44199    {"R_swig_OBOrbital_GetSymbol", (DL_FUNC) &R_swig_OBOrbital_GetSymbol, 2},
44200    {"R_swig_OBBitVec_ResizeWords", (DL_FUNC) &R_swig_OBBitVec_ResizeWords, 3},
44201    {"R_swig_OBGridData_GetMinValue", (DL_FUNC) &R_swig_OBGridData_GetMinValue, 2},
44202    {"R_swig_OBMolAtomDFSIter_SetIdx", (DL_FUNC) &R_swig_OBMolAtomDFSIter_SetIdx, 2},
44203    {"R_swig_OBMolAtomIter_SetIdx", (DL_FUNC) &R_swig_OBMolAtomIter_SetIdx, 2},
44204    {"R_swig_OBRotor_SetIdx", (DL_FUNC) &R_swig_OBRotor_SetIdx, 2},
44205    {"R_swig_OBExternalBond_SetIdx", (DL_FUNC) &R_swig_OBExternalBond_SetIdx, 2},
44206    {"R_swig_OBResidue_SetIdx", (DL_FUNC) &R_swig_OBResidue_SetIdx, 2},
44207    {"R_swig_OBAtom_SetIdx", (DL_FUNC) &R_swig_OBAtom_SetIdx, 2},
44208    {"R_swig_OBBond_SetIdx", (DL_FUNC) &R_swig_OBBond_SetIdx, 2},
44209    {"R_swig_OBMolAtomBFSIter_SetIdx", (DL_FUNC) &R_swig_OBMolAtomBFSIter_SetIdx, 2},
44210    {"R_swig_OBMolBondBFSIter_SetIdx", (DL_FUNC) &R_swig_OBMolBondBFSIter_SetIdx, 2},
44211    {"R_swig_OBMolBondIter_SetIdx", (DL_FUNC) &R_swig_OBMolBondIter_SetIdx, 2},
44212    {"R_swig_OBAtomAtomIter_SetIdx", (DL_FUNC) &R_swig_OBAtomAtomIter_SetIdx, 2},
44213    {"R_swig_OBAtomBondIter_SetIdx", (DL_FUNC) &R_swig_OBAtomBondIter_SetIdx, 2},
44214    {"R_swig_OBResidueIter_SetIdx", (DL_FUNC) &R_swig_OBResidueIter_SetIdx, 2},
44215    {"R_swig_OBResidueAtomIter_SetIdx", (DL_FUNC) &R_swig_OBResidueAtomIter_SetIdx, 2},
44216    {"R_swig_ElemDesc_set", (DL_FUNC) &R_swig_ElemDesc_set, 1},
44217    {"R_swig_OBAtomClassData_HasClass", (DL_FUNC) &R_swig_OBAtomClassData_HasClass, 3},
44218    {"R_swig_OBDescriptor_DeleteProperties", (DL_FUNC) &R_swig_OBDescriptor_DeleteProperties, 2},
44219    {"R_swig_OBDescriptor_AddProperties", (DL_FUNC) &R_swig_OBDescriptor_AddProperties, 2},
44220    {"R_swig_OBForceField_FindType", (DL_FUNC) &R_swig_OBForceField_FindType, 1},
44221    {"R_swig_OBChargeModel_FindType", (DL_FUNC) &R_swig_OBChargeModel_FindType, 1},
44222    {"R_swig_OBOp_FindType", (DL_FUNC) &R_swig_OBOp_FindType, 1},
44223    {"R_swig_OBDescriptor_FindType", (DL_FUNC) &R_swig_OBDescriptor_FindType, 1},
44224    {"R_swig_OBFingerprint_FindType", (DL_FUNC) &R_swig_OBFingerprint_FindType, 1},
44225    {"R_swig_OBFormat_FindType", (DL_FUNC) &R_swig_OBFormat_FindType, 1},
44226    {"R_swig_OBGlobalDataBase_Init", (DL_FUNC) &R_swig_OBGlobalDataBase_Init, 1},
44227    {"R_swig_OBMolAtomDFSIter_GetParent", (DL_FUNC) &R_swig_OBMolAtomDFSIter_GetParent, 1},
44228    {"R_swig_OBMolAtomDFSIter_SetParent", (DL_FUNC) &R_swig_OBMolAtomDFSIter_SetParent, 2},
44229    {"R_swig_OBMolAtomIter_GetParent", (DL_FUNC) &R_swig_OBMolAtomIter_GetParent, 1},
44230    {"R_swig_OBMolAtomIter_SetParent", (DL_FUNC) &R_swig_OBMolAtomIter_SetParent, 2},
44231    {"R_swig_OBRing_GetParent", (DL_FUNC) &R_swig_OBRing_GetParent, 1},
44232    {"R_swig_OBRing_SetParent", (DL_FUNC) &R_swig_OBRing_SetParent, 2},
44233    {"R_swig_OBAtom_SetParent", (DL_FUNC) &R_swig_OBAtom_SetParent, 2},
44234    {"R_swig_OBAtom_GetParent", (DL_FUNC) &R_swig_OBAtom_GetParent, 1},
44235    {"R_swig_OBBond_SetParent", (DL_FUNC) &R_swig_OBBond_SetParent, 2},
44236    {"R_swig_OBBond_GetParent", (DL_FUNC) &R_swig_OBBond_GetParent, 1},
44237    {"R_swig_OBMolAtomBFSIter_SetParent", (DL_FUNC) &R_swig_OBMolAtomBFSIter_SetParent, 2},
44238    {"R_swig_OBMolAtomBFSIter_GetParent", (DL_FUNC) &R_swig_OBMolAtomBFSIter_GetParent, 1},
44239    {"R_swig_OBMolBondBFSIter_SetParent", (DL_FUNC) &R_swig_OBMolBondBFSIter_SetParent, 2},
44240    {"R_swig_OBMolBondBFSIter_GetParent", (DL_FUNC) &R_swig_OBMolBondBFSIter_GetParent, 1},
44241    {"R_swig_OBMolBondIter_SetParent", (DL_FUNC) &R_swig_OBMolBondIter_SetParent, 2},
44242    {"R_swig_OBMolBondIter_GetParent", (DL_FUNC) &R_swig_OBMolBondIter_GetParent, 1},
44243    {"R_swig_OBAtomAtomIter_SetParent", (DL_FUNC) &R_swig_OBAtomAtomIter_SetParent, 2},
44244    {"R_swig_OBAtomAtomIter_GetParent", (DL_FUNC) &R_swig_OBAtomAtomIter_GetParent, 1},
44245    {"R_swig_OBAtomBondIter_SetParent", (DL_FUNC) &R_swig_OBAtomBondIter_SetParent, 2},
44246    {"R_swig_OBAtomBondIter_GetParent", (DL_FUNC) &R_swig_OBAtomBondIter_GetParent, 1},
44247    {"R_swig_OBResidueAtomIter_SetParent", (DL_FUNC) &R_swig_OBResidueAtomIter_SetParent, 2},
44248    {"R_swig_OBResidueAtomIter_GetParent", (DL_FUNC) &R_swig_OBResidueAtomIter_GetParent, 1},
44249    {"R_swig_OBMolRingIter_SetParent", (DL_FUNC) &R_swig_OBMolRingIter_SetParent, 2},
44250    {"R_swig_OBMolRingIter_GetParent", (DL_FUNC) &R_swig_OBMolRingIter_GetParent, 1},
44251    {"R_swig_delete_OBAtomHOF", (DL_FUNC) &R_swig_delete_OBAtomHOF, 1},
44252    {"R_swig_new_OBAtomHOF", (DL_FUNC) &R_swig_new_OBAtomHOF, 6},
44253    {"R_swig_matrix3x3_transpose", (DL_FUNC) &R_swig_matrix3x3_transpose, 2},
44254    {"R_swig_OBMolAtomDFSIter_IsHbondAcceptor", (DL_FUNC) &R_swig_OBMolAtomDFSIter_IsHbondAcceptor, 2},
44255    {"R_swig_OBMolAtomIter_IsHbondAcceptor", (DL_FUNC) &R_swig_OBMolAtomIter_IsHbondAcceptor, 2},
44256    {"R_swig_OBAtom_IsHbondAcceptor", (DL_FUNC) &R_swig_OBAtom_IsHbondAcceptor, 2},
44257    {"R_swig_OBMolAtomBFSIter_IsHbondAcceptor", (DL_FUNC) &R_swig_OBMolAtomBFSIter_IsHbondAcceptor, 2},
44258    {"R_swig_OBAtomAtomIter_IsHbondAcceptor", (DL_FUNC) &R_swig_OBAtomAtomIter_IsHbondAcceptor, 2},
44259    {"R_swig_OBResidueAtomIter_IsHbondAcceptor", (DL_FUNC) &R_swig_OBResidueAtomIter_IsHbondAcceptor, 2},
44260    {"R_swig_OBElement_GetMaxBonds", (DL_FUNC) &R_swig_OBElement_GetMaxBonds, 2},
44261    {"R_swig_OBElementTable_GetMaxBonds", (DL_FUNC) &R_swig_OBElementTable_GetMaxBonds, 3},
44262    {"R_swig_OBTetrahedralStereo_SetConfig", (DL_FUNC) &R_swig_OBTetrahedralStereo_SetConfig, 2},
44263    {"R_swig_OBCisTransStereo_SetConfig", (DL_FUNC) &R_swig_OBCisTransStereo_SetConfig, 2},
44264    {"R_swig_OBSquarePlanarStereo_SetConfig", (DL_FUNC) &R_swig_OBSquarePlanarStereo_SetConfig, 2},
44265    {"R_swig_new_OBTetrahedralConfig", (DL_FUNC) &R_swig_new_OBTetrahedralConfig, 0},
44266    {"R_swig_delete_OBTetrahedralConfig", (DL_FUNC) &R_swig_delete_OBTetrahedralConfig, 1},
44267    {"R_swig_new_OBSquarePlanarConfig", (DL_FUNC) &R_swig_new_OBSquarePlanarConfig, 0},
44268    {"R_swig_delete_OBSquarePlanarConfig", (DL_FUNC) &R_swig_delete_OBSquarePlanarConfig, 1},
44269    {"R_swig_OBResidue_GetNum", (DL_FUNC) &R_swig_OBResidue_GetNum, 2},
44270    {"R_swig_OBResidueIter_GetNum", (DL_FUNC) &R_swig_OBResidueIter_GetNum, 2},
44271    {"R_swig_delete_OBSymmetryData", (DL_FUNC) &R_swig_delete_OBSymmetryData, 1},
44272    {"R_swig_toSymmetryData", (DL_FUNC) &R_swig_toSymmetryData, 1},
44273    {"R_swig_OBReaction_IsReversible", (DL_FUNC) &R_swig_OBReaction_IsReversible, 2},
44274    {"R_swig_stringp_frompointer", (DL_FUNC) &R_swig_stringp_frompointer, 1},
44275    {"R_swig_OBForceField_GetUnit", (DL_FUNC) &R_swig_OBForceField_GetUnit, 2},
44276    {"R_swig_OBGridData_GetUnit", (DL_FUNC) &R_swig_OBGridData_GetUnit, 2},
44277    {"R_swig_OBGridData_SetUnit", (DL_FUNC) &R_swig_OBGridData_SetUnit, 2},
44278    {"R_swig_OBResidue_GetAminoAcidProperty", (DL_FUNC) &R_swig_OBResidue_GetAminoAcidProperty, 3},
44279    {"R_swig_OBResidue_GetAtomProperty", (DL_FUNC) &R_swig_OBResidue_GetAtomProperty, 4},
44280    {"R_swig_OBResidue_GetResidueProperty", (DL_FUNC) &R_swig_OBResidue_GetResidueProperty, 3},
44281    {"R_swig_OBResidueIter_GetAminoAcidProperty", (DL_FUNC) &R_swig_OBResidueIter_GetAminoAcidProperty, 3},
44282    {"R_swig_OBResidueIter_GetAtomProperty", (DL_FUNC) &R_swig_OBResidueIter_GetAtomProperty, 4},
44283    {"R_swig_OBResidueIter_GetResidueProperty", (DL_FUNC) &R_swig_OBResidueIter_GetResidueProperty, 3},
44284    {"R_swig_OBAtomTyper_AssignTypes", (DL_FUNC) &R_swig_OBAtomTyper_AssignTypes, 2},
44285    {"R_swig_OBRingTyper_AssignTypes", (DL_FUNC) &R_swig_OBRingTyper_AssignTypes, 2},
44286    {"R_swig_OBMol_SetDimension", (DL_FUNC) &R_swig_OBMol_SetDimension, 2},
44287    {"R_swig_OBMol_GetDimension", (DL_FUNC) &R_swig_OBMol_GetDimension, 2},
44288    {"R_swig_OBConformerData_GetDimension", (DL_FUNC) &R_swig_OBConformerData_GetDimension, 2},
44289    {"R_swig_OBConformerData_SetDimension", (DL_FUNC) &R_swig_OBConformerData_SetDimension, 2},
44290    {"R_swig_OBGenericData_GetValue", (DL_FUNC) &R_swig_OBGenericData_GetValue, 2},
44291    {"R_swig_OBGridData_SetValue", (DL_FUNC) &R_swig_OBGridData_SetValue, 6},
44292    {"R_swig_OBRotationData_GetRotConsts", (DL_FUNC) &R_swig_OBRotationData_GetRotConsts, 2},
44293    {"R_swig_OBStereoUnit_para_set", (DL_FUNC) &R_swig_OBStereoUnit_para_set, 2},
44294    {"R_swig_OBSmartsPattern_GetSMARTS", (DL_FUNC) &R_swig_OBSmartsPattern_GetSMARTS, 2},
44295    {"R_swig_OBBitVec_Empty", (DL_FUNC) &R_swig_OBBitVec_Empty, 2},
44296    {"R_swig_OBResidue_SetSerialNum", (DL_FUNC) &R_swig_OBResidue_SetSerialNum, 3},
44297    {"R_swig_OBResidue_GetSerialNum", (DL_FUNC) &R_swig_OBResidue_GetSerialNum, 3},
44298    {"R_swig_OBResidueIter_SetSerialNum", (DL_FUNC) &R_swig_OBResidueIter_SetSerialNum, 3},
44299    {"R_swig_OBResidueIter_GetSerialNum", (DL_FUNC) &R_swig_OBResidueIter_GetSerialNum, 3},
44300    {"R_swig_delete_OBBuilder", (DL_FUNC) &R_swig_delete_OBBuilder, 1},
44301    {"R_swig_new_OBBuilder", (DL_FUNC) &R_swig_new_OBBuilder, 0},
44302    {"R_swig_delete_OBForceField", (DL_FUNC) &R_swig_delete_OBForceField, 1},
44303    {"R_swig_OBCisTransConfig_begin_get", (DL_FUNC) &R_swig_OBCisTransConfig_begin_get, 2},
44304    {"R_swig_vector3_SetX", (DL_FUNC) &R_swig_vector3_SetX, 2},
44305    {"R_swig_vector3_SetY", (DL_FUNC) &R_swig_vector3_SetY, 2},
44306    {"R_swig_OBChiralData_GetAtomRef", (DL_FUNC) &R_swig_OBChiralData_GetAtomRef, 4},
44307    {"R_swig_OBChiralData_AddAtomRef", (DL_FUNC) &R_swig_OBChiralData_AddAtomRef, 4},
44308    {"R_swig_vector3_SetZ", (DL_FUNC) &R_swig_vector3_SetZ, 2},
44309    {"R_swig_FastSearch_GetFingerprint", (DL_FUNC) &R_swig_FastSearch_GetFingerprint, 1},
44310    {"R_swig_OBFingerprint_FindFingerprint", (DL_FUNC) &R_swig_OBFingerprint_FindFingerprint, 1},
44311    {"R_swig_delete_OBFingerprint", (DL_FUNC) &R_swig_delete_OBFingerprint, 1},
44312    {"R_swig_transform3d_DescribeAsValues", (DL_FUNC) &R_swig_transform3d_DescribeAsValues, 2},
44313    {"R_swig_OBRotamerList_AddRotamers", (DL_FUNC) &R_swig_OBRotamerList_AddRotamers, 3},
44314    {"R_swig_OBRotamerList_NumRotamers", (DL_FUNC) &R_swig_OBRotamerList_NumRotamers, 2},
44315    {"R_swig_delete_OBQueryBond", (DL_FUNC) &R_swig_delete_OBQueryBond, 1},
44316    {"R_swig_new_OBFreeGrid", (DL_FUNC) &R_swig_new_OBFreeGrid, 0},
44317    {"R_swig_delete_OBFreeGrid", (DL_FUNC) &R_swig_delete_OBFreeGrid, 1},
44318    {"R_swig_delete_OBRotorRules", (DL_FUNC) &R_swig_delete_OBRotorRules, 1},
44319    {"R_swig_new_OBRotorRules", (DL_FUNC) &R_swig_new_OBRotorRules, 0},
44320    {"R_swig_OBResidueData_SetResName", (DL_FUNC) &R_swig_OBResidueData_SetResName, 3},
44321    {"R_swig_OBGridData_GetMaxValue", (DL_FUNC) &R_swig_OBGridData_GetMaxValue, 2},
44322    {"R_swig_matrix3x3_isDiagonal", (DL_FUNC) &R_swig_matrix3x3_isDiagonal, 2},
44323    {"R_swig_VZ_get", (DL_FUNC) &R_swig_VZ_get, 1},
44324    {"R_swig_resdat_set", (DL_FUNC) &R_swig_resdat_set, 1},
44325    {"R_swig_OBForceField_SetTypes", (DL_FUNC) &R_swig_OBForceField_SetTypes, 2},
44326    {"R_swig_OBMolAtomDFSIter_AddBond", (DL_FUNC) &R_swig_OBMolAtomDFSIter_AddBond, 2},
44327    {"R_swig_OBMolAtomIter_AddBond", (DL_FUNC) &R_swig_OBMolAtomIter_AddBond, 2},
44328    {"R_swig_OBQuery_AddBond", (DL_FUNC) &R_swig_OBQuery_AddBond, 2},
44329    {"R_swig_OBAtom_AddBond", (DL_FUNC) &R_swig_OBAtom_AddBond, 2},
44330    {"R_swig_OBMolAtomBFSIter_AddBond", (DL_FUNC) &R_swig_OBMolAtomBFSIter_AddBond, 2},
44331    {"R_swig_OBAtomAtomIter_AddBond", (DL_FUNC) &R_swig_OBAtomAtomIter_AddBond, 2},
44332    {"R_swig_OBResidueAtomIter_AddBond", (DL_FUNC) &R_swig_OBResidueAtomIter_AddBond, 2},
44333    {"R_swig_new_OBMessageHandler", (DL_FUNC) &R_swig_new_OBMessageHandler, 0},
44334    {"R_swig_delete_OBMessageHandler", (DL_FUNC) &R_swig_delete_OBMessageHandler, 1},
44335    {"R_swig_OBFFConstraint_c_set", (DL_FUNC) &R_swig_OBFFConstraint_c_set, 2},
44336    {"R_swig_OBFFCalculation3_idx_c_set", (DL_FUNC) &R_swig_OBFFCalculation3_idx_c_set, 2},
44337    {"R_swig_OBFFParameter_c_set", (DL_FUNC) &R_swig_OBFFParameter_c_set, 2},
44338    {"R_swig_OBMol_UnsetFlag", (DL_FUNC) &R_swig_OBMol_UnsetFlag, 2},
44339    {"R_swig_OBOrbitalData_GetBetaHOMO", (DL_FUNC) &R_swig_OBOrbitalData_GetBetaHOMO, 2},
44340    {"R_swig_OBSmartsPattern_GetVectorBinding", (DL_FUNC) &R_swig_OBSmartsPattern_GetVectorBinding, 3},
44341    {"R_swig_obErrorLog_set", (DL_FUNC) &R_swig_obErrorLog_set, 1},
44342    {"R_swig_OBFingerprint_SetFlags", (DL_FUNC) &R_swig_OBFingerprint_SetFlags, 2},
44343    {"R_swig_OBMol_SetFlags", (DL_FUNC) &R_swig_OBMol_SetFlags, 2},
44344    {"R_swig_OBBond_GetFlags", (DL_FUNC) &R_swig_OBBond_GetFlags, 2},
44345    {"R_swig_OBMol_GetFlags", (DL_FUNC) &R_swig_OBMol_GetFlags, 2},
44346    {"R_swig_OBMolAtomDFSIter_EndBonds", (DL_FUNC) &R_swig_OBMolAtomDFSIter_EndBonds, 2},
44347    {"R_swig_OBMolAtomIter_EndBonds", (DL_FUNC) &R_swig_OBMolAtomIter_EndBonds, 2},
44348    {"R_swig_OBMol_FindRingAtomsAndBonds", (DL_FUNC) &R_swig_OBMol_FindRingAtomsAndBonds, 1},
44349    {"R_swig_OBAtom_EndBonds", (DL_FUNC) &R_swig_OBAtom_EndBonds, 2},
44350    {"R_swig_OBMolAtomBFSIter_EndBonds", (DL_FUNC) &R_swig_OBMolAtomBFSIter_EndBonds, 2},
44351    {"R_swig_OBMolBondBFSIter_GetFlags", (DL_FUNC) &R_swig_OBMolBondBFSIter_GetFlags, 2},
44352    {"R_swig_OBMolBondIter_GetFlags", (DL_FUNC) &R_swig_OBMolBondIter_GetFlags, 2},
44353    {"R_swig_OBAtomAtomIter_EndBonds", (DL_FUNC) &R_swig_OBAtomAtomIter_EndBonds, 2},
44354    {"R_swig_OBAtomBondIter_GetFlags", (DL_FUNC) &R_swig_OBAtomBondIter_GetFlags, 2},
44355    {"R_swig_OBResidueAtomIter_EndBonds", (DL_FUNC) &R_swig_OBResidueAtomIter_EndBonds, 2},
44356    {"R_swig_OBForceField_SetCoordinates", (DL_FUNC) &R_swig_OBForceField_SetCoordinates, 3},
44357    {"R_swig_OBForceField_UpdateCoordinates", (DL_FUNC) &R_swig_OBForceField_UpdateCoordinates, 3},
44358    {"R_swig_OBForceField_GetCoordinates", (DL_FUNC) &R_swig_OBForceField_GetCoordinates, 3},
44359    {"R_swig_OBRotamerList_SetCurrentCoordinates", (DL_FUNC) &R_swig_OBRotamerList_SetCurrentCoordinates, 3},
44360    {"R_swig_OBMol_SetCoordinates", (DL_FUNC) &R_swig_OBMol_SetCoordinates, 2},
44361    {"R_swig_OBMol_GetCoordinates", (DL_FUNC) &R_swig_OBMol_GetCoordinates, 1},
44362    {"R_swig_OBForceField_VectorCopy", (DL_FUNC) &R_swig_OBForceField_VectorCopy, 2},
44363    {"R_swig_OBMolAtomDFSIter_CountFreeSulfurs", (DL_FUNC) &R_swig_OBMolAtomDFSIter_CountFreeSulfurs, 2},
44364    {"R_swig_OBMolAtomIter_CountFreeSulfurs", (DL_FUNC) &R_swig_OBMolAtomIter_CountFreeSulfurs, 2},
44365    {"R_swig_OBAtom_CountFreeSulfurs", (DL_FUNC) &R_swig_OBAtom_CountFreeSulfurs, 2},
44366    {"R_swig_OBMolAtomBFSIter_CountFreeSulfurs", (DL_FUNC) &R_swig_OBMolAtomBFSIter_CountFreeSulfurs, 2},
44367    {"R_swig_OBAtomAtomIter_CountFreeSulfurs", (DL_FUNC) &R_swig_OBAtomAtomIter_CountFreeSulfurs, 2},
44368    {"R_swig_OBResidueAtomIter_CountFreeSulfurs", (DL_FUNC) &R_swig_OBResidueAtomIter_CountFreeSulfurs, 2},
44369    {"R_swig_OBRing_PathSize", (DL_FUNC) &R_swig_OBRing_PathSize, 2},
44370    {"R_swig_OBMolRingIter_PathSize", (DL_FUNC) &R_swig_OBMolRingIter_PathSize, 2},
44371    {"R_swig_OBFFParameter__dpar_get", (DL_FUNC) &R_swig_OBFFParameter__dpar_get, 2},
44372    {"R_swig_OBFFParameter__ipar_get", (DL_FUNC) &R_swig_OBFFParameter__ipar_get, 2},
44373    {"R_swig_delete_OBConformerSearch", (DL_FUNC) &R_swig_delete_OBConformerSearch, 1},
44374    {"R_swig_new_OBConformerSearch", (DL_FUNC) &R_swig_new_OBConformerSearch, 0},
44375    {"R_swig_OBForceField_WeightedRotorSearch", (DL_FUNC) &R_swig_OBForceField_WeightedRotorSearch, 3},
44376    {"R_swig_new_FastSearch", (DL_FUNC) &R_swig_new_FastSearch, 0},
44377    {"R_swig_delete_FastSearch", (DL_FUNC) &R_swig_delete_FastSearch, 1},
44378    {"R_swig_stringp_value", (DL_FUNC) &R_swig_stringp_value, 2},
44379    {"R_swig_OBFFConstraint_a_get", (DL_FUNC) &R_swig_OBFFConstraint_a_get, 1},
44380    {"R_swig_OBFFCalculation2_idx_a_get", (DL_FUNC) &R_swig_OBFFCalculation2_idx_a_get, 2},
44381    {"R_swig_OBFFCalculation2_a_get", (DL_FUNC) &R_swig_OBFFCalculation2_a_get, 1},
44382    {"R_swig_OBFFParameter_a_get", (DL_FUNC) &R_swig_OBFFParameter_a_get, 2},
44383    {"R_swig_OBMol_BeginModify", (DL_FUNC) &R_swig_OBMol_BeginModify, 1},
44384    {"R_swig_stringp_assign", (DL_FUNC) &R_swig_stringp_assign, 2},
44385    {"R_swig_vvpairUIntUInt_assign", (DL_FUNC) &R_swig_vvpairUIntUInt_assign, 3},
44386    {"R_swig_OBRotamerList_GetBaseCoordinateSet", (DL_FUNC) &R_swig_OBRotamerList_GetBaseCoordinateSet, 2},
44387    {"R_swig_delete_OBStereoBase", (DL_FUNC) &R_swig_delete_OBStereoBase, 1},
44388    {"R_swig_OBBond_IsHash", (DL_FUNC) &R_swig_OBBond_IsHash, 2},
44389    {"R_swig_OBMolBondBFSIter_IsHash", (DL_FUNC) &R_swig_OBMolBondBFSIter_IsHash, 2},
44390    {"R_swig_OBMolBondIter_IsHash", (DL_FUNC) &R_swig_OBMolBondIter_IsHash, 2},
44391    {"R_swig_OBAtomBondIter_IsHash", (DL_FUNC) &R_swig_OBAtomBondIter_IsHash, 2},
44392    {"R_swig_OBCisTransStereo_GetCisRef", (DL_FUNC) &R_swig_OBCisTransStereo_GetCisRef, 3},
44393    {"R_swig_OBRandom_TimeSeed", (DL_FUNC) &R_swig_OBRandom_TimeSeed, 1},
44394    {"R_swig_OBAtomTyper_AssignHyb", (DL_FUNC) &R_swig_OBAtomTyper_AssignHyb, 2},
44395    {"R_swig_OBFFConstraints_GetFixedBitVec", (DL_FUNC) &R_swig_OBFFConstraints_GetFixedBitVec, 2},
44396    {"R_swig_OBFFConstraints_GetIgnoredBitVec", (DL_FUNC) &R_swig_OBFFConstraints_GetIgnoredBitVec, 2},
44397    {"R_swig_delete_OBBitVec", (DL_FUNC) &R_swig_delete_OBBitVec, 1},
44398    {"R_swig_delete_OBFormat", (DL_FUNC) &R_swig_delete_OBFormat, 1},
44399    {"R_swig_OBConversion_FindFormat", (DL_FUNC) &R_swig_OBConversion_FindFormat, 1},
44400    {"R_swig_OBConversion_GetNextFormat", (DL_FUNC) &R_swig_OBConversion_GetNextFormat, 4},
44401    {"R_swig_OBConversion_GetInFormat", (DL_FUNC) &R_swig_OBConversion_GetInFormat, 1},
44402    {"R_swig_OBConversion_GetOutFormat", (DL_FUNC) &R_swig_OBConversion_GetOutFormat, 1},
44403    {"R_swig_OBConversion_GetSupportedInputFormat", (DL_FUNC) &R_swig_OBConversion_GetSupportedInputFormat, 2},
44404    {"R_swig_OBConversion_GetSupportedOutputFormat", (DL_FUNC) &R_swig_OBConversion_GetSupportedOutputFormat, 2},
44405    {"R_swig_OBConversion_GetDefaultFormat", (DL_FUNC) &R_swig_OBConversion_GetDefaultFormat, 0},
44406    {"R_swig_OBRotorRules_Quiet", (DL_FUNC) &R_swig_OBRotorRules_Quiet, 1},
44407    {"R_swig_OBForceField_VectorDistance", (DL_FUNC) &R_swig_OBForceField_VectorDistance, 3},
44408    {"R_swig_OBGridData_GetZAxis", (DL_FUNC) &R_swig_OBGridData_GetZAxis, 2},
44409    {"R_swig_atomtyper_get", (DL_FUNC) &R_swig_atomtyper_get, 1},
44410    {"R_swig_aromtyper_get", (DL_FUNC) &R_swig_aromtyper_get, 1},
44411    {"R_swig_OBTetrahedralConfig_center_get", (DL_FUNC) &R_swig_OBTetrahedralConfig_center_get, 2},
44412    {"R_swig_OBSquarePlanarConfig_center_get", (DL_FUNC) &R_swig_OBSquarePlanarConfig_center_get, 2},
44413    {"R_swig_OBGenericData_Clone", (DL_FUNC) &R_swig_OBGenericData_Clone, 2},
44414    {"R_swig_OBError_message", (DL_FUNC) &R_swig_OBError_message, 2},
44415    {"R_swig_OBRotorList_BeginRotor", (DL_FUNC) &R_swig_OBRotorList_BeginRotor, 2},
44416    {"R_swig_OBTorsion_IsProtonRotor", (DL_FUNC) &R_swig_OBTorsion_IsProtonRotor, 2},
44417    {"R_swig_OBRotorRule_GetSmartsPattern", (DL_FUNC) &R_swig_OBRotorRule_GetSmartsPattern, 1},
44418    {"R_swig_delete_OBSmartsPattern", (DL_FUNC) &R_swig_delete_OBSmartsPattern, 1},
44419    {"R_swig_OBResidue_GetResKey", (DL_FUNC) &R_swig_OBResidue_GetResKey, 2},
44420    {"R_swig_OBResidueIter_GetResKey", (DL_FUNC) &R_swig_OBResidueIter_GetResKey, 2},
44421    {"R_swig_OBStereo_ContainsSameRefs", (DL_FUNC) &R_swig_OBStereo_ContainsSameRefs, 3},
44422    {"R_swig_delete_vectorDouble", (DL_FUNC) &R_swig_delete_vectorDouble, 1},
44423    {"R_swig_OBFingerprint_Fold", (DL_FUNC) &R_swig_OBFingerprint_Fold, 3},
44424    {"R_swig_vectorOBRing___len__", (DL_FUNC) &R_swig_vectorOBRing___len__, 2},
44425    {"R_swig_vectorOBResidue___len__", (DL_FUNC) &R_swig_vectorOBResidue___len__, 2},
44426    {"R_swig_vectorOBBond___len__", (DL_FUNC) &R_swig_vectorOBBond___len__, 2},
44427    {"R_swig_vectorOBMol___len__", (DL_FUNC) &R_swig_vectorOBMol___len__, 2},
44428    {"R_swig_vectorvVector3___len__", (DL_FUNC) &R_swig_vectorvVector3___len__, 2},
44429    {"R_swig_vectorVector3___len__", (DL_FUNC) &R_swig_vectorVector3___len__, 2},
44430    {"R_swig_vectorUnsignedInt___len__", (DL_FUNC) &R_swig_vectorUnsignedInt___len__, 2},
44431    {"R_swig_vectorInt___len__", (DL_FUNC) &R_swig_vectorInt___len__, 2},
44432    {"R_swig_vectorvInt___len__", (DL_FUNC) &R_swig_vectorvInt___len__, 2},
44433    {"R_swig_vectorDouble___len__", (DL_FUNC) &R_swig_vectorDouble___len__, 2},
44434    {"R_swig_vectorString___len__", (DL_FUNC) &R_swig_vectorString___len__, 2},
44435    {"R_swig_vectorpOBRing___len__", (DL_FUNC) &R_swig_vectorpOBRing___len__, 2},
44436    {"R_swig_vectorpOBGenericData___len__", (DL_FUNC) &R_swig_vectorpOBGenericData___len__, 2},
44437    {"R_swig_vectorpOBInternalCoord___len__", (DL_FUNC) &R_swig_vectorpOBInternalCoord___len__, 2},
44438    {"R_swig_vpairUIntUInt___len__", (DL_FUNC) &R_swig_vpairUIntUInt___len__, 2},
44439    {"R_swig_vvpairUIntUInt___len__", (DL_FUNC) &R_swig_vvpairUIntUInt___len__, 2},
44440    {"R_swig_OBReleaseVersion", (DL_FUNC) &R_swig_OBReleaseVersion, 1},
44441    {"R_swig_delete_OBConversion", (DL_FUNC) &R_swig_delete_OBConversion, 1},
44442    {"R_swig_OBMol_IsCorrectedForPH", (DL_FUNC) &R_swig_OBMol_IsCorrectedForPH, 2},
44443    {"R_swig_OBMol_SetCorrectedForPH", (DL_FUNC) &R_swig_OBMol_SetCorrectedForPH, 1},
44444    {"R_swig_OBFFConstraint_rbc0_set", (DL_FUNC) &R_swig_OBFFConstraint_rbc0_set, 2},
44445    {"R_swig_OBConversion_WriteFile", (DL_FUNC) &R_swig_OBConversion_WriteFile, 4},
44446    {"R_swig_OBGenericData_GetOrigin", (DL_FUNC) &R_swig_OBGenericData_GetOrigin, 2},
44447    {"R_swig_OBGenericData_SetOrigin", (DL_FUNC) &R_swig_OBGenericData_SetOrigin, 2},
44448    {"R_swig_OBRotorList_EndRotors", (DL_FUNC) &R_swig_OBRotorList_EndRotors, 2},
44449    {"R_swig_OBRotorList_BeginRotors", (DL_FUNC) &R_swig_OBRotorList_BeginRotors, 2},
44450    {"R_swig_OBRotorList_FindRotors", (DL_FUNC) &R_swig_OBRotorList_FindRotors, 3},
44451    {"R_swig_OBStopwatch_Elapsed", (DL_FUNC) &R_swig_OBStopwatch_Elapsed, 2},
44452    {"R_swig_OBBitVec_IsEmpty", (DL_FUNC) &R_swig_OBBitVec_IsEmpty, 2},
44453    {"R_swig_delete_OBRTree", (DL_FUNC) &R_swig_delete_OBRTree, 1},
44454    {"R_swig_new_OBRTree", (DL_FUNC) &R_swig_new_OBRTree, 2},
44455    {NULL, NULL, 0}
44456 };
44457 
R_init_openbabelR(DllInfo * dll)44458 extern "C" SWIGEXPORT void R_init_openbabelR(DllInfo *dll) {
44459     R_registerRoutines(dll, NULL, CallEntries, NULL, NULL);
44460 
44461 
44462 SWIG_init();
44463 SWIG_InitializeModule(0);
44464 
44465 
44466 }
44467 
44468