1 /*
2 * This file is part of the GROMACS molecular simulation package.
3 *
4 * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
5 * Copyright (c) 2001-2013, The GROMACS development team.
6 * Copyright (c) 2013,2014,2015,2016,2017 by the GROMACS development team.
7 * Copyright (c) 2019,2020, by the GROMACS development team, led by
8 * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
9 * and including many others, as listed in the AUTHORS file in the
10 * top-level source directory and at http://www.gromacs.org.
11 *
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37 */
38 #include "gmxpre.h"
39
40 #include "dialogs.h"
41
42 #include "config.h"
43
44 #include <cstdio>
45 #include <cstdlib>
46 #include <cstring>
47
48 #ifdef HAVE_UNISTD_H
49 # include <unistd.h> // for fork()
50 #endif
51
52 #include "gromacs/mdtypes/md_enums.h"
53 #include "gromacs/utility/arraysize.h"
54 #include "gromacs/utility/cstringutil.h"
55 #include "gromacs/utility/dir_separator.h"
56 #include "gromacs/utility/fatalerror.h"
57 #include "gromacs/utility/futil.h"
58 #include "gromacs/utility/smalloc.h"
59
60 #include "manager.h"
61 #include "nmol.h"
62 #include "x11.h"
63 #include "xdlghi.h"
64 #include "xmb.h"
65
66 #define MBFLAGS /* MB_APPLMODAL | */ MB_DONTSHOW
67
write_gmx(t_x11 * x11,t_gmx * gmx,int mess)68 void write_gmx(t_x11* x11, t_gmx* gmx, int mess)
69 {
70 XEvent letter;
71
72 letter.type = ClientMessage;
73 letter.xclient.display = x11->disp;
74 letter.xclient.window = gmx->wd->self;
75 letter.xclient.message_type = 0;
76 letter.xclient.format = 32;
77 letter.xclient.data.l[0] = mess;
78 letter.xclient.data.l[1] = Button1;
79 XSendEvent(x11->disp, letter.xclient.window, True, 0, &letter);
80 }
81
shell_comm(const char * title,const char * script,int nsleep)82 static void shell_comm(const char* title, const char* script, int nsleep)
83 {
84 FILE* tfil;
85 char command[STRLEN];
86 char tmp[32];
87
88 std::strcpy(tmp, "dialogXXXXXX");
89 tfil = gmx_fopen_temporary(tmp);
90
91 fprintf(tfil, "%s\n", script);
92 fprintf(tfil, "sleep %d\n", nsleep);
93 gmx_ffclose(tfil);
94
95 std::sprintf(command, "xterm -title %s -e sh %s", title, tmp);
96 #ifdef DEBUG
97 std::fprintf(stderr, "command: %s\n", command);
98 #endif
99
100 if (0 != std::system(command))
101 {
102 gmx_fatal(FARGS, "Failed to execute command: %s", command);
103 }
104
105 #ifdef DEBUG
106 unlink(tmp)
107 #endif
108 }
109
show_mb(t_gmx * gmx,int mb)110 void show_mb(t_gmx* gmx, int mb)
111 {
112 if (mb >= 0 && mb < emNR)
113 {
114 gmx->which_mb = mb;
115 ShowDlg(gmx->mboxes[mb]);
116 }
117 }
118
hide_mb(t_gmx * gmx)119 static void hide_mb(t_gmx* gmx)
120 {
121 if (gmx->which_mb >= 0 && gmx->which_mb < emNR)
122 {
123 HideDlg(gmx->mboxes[gmx->which_mb]);
124 gmx->which_mb = -1;
125 }
126 }
127
MBCallback(t_x11 *,int dlg_mess,int,char *,void * data)128 static void MBCallback(t_x11* /*x11*/, int dlg_mess, int /*item_id*/, char* /*set*/, void* data)
129 {
130 t_gmx* gmx;
131
132 gmx = static_cast<t_gmx*>(data);
133 if (dlg_mess == DLG_EXIT)
134 {
135 hide_mb(gmx);
136 }
137 }
138
about_mb(t_x11 * x11,t_gmx * gmx)139 static t_dlg* about_mb(t_x11* x11, t_gmx* gmx)
140 {
141 const char* lines[] = { " G R O M A C S", " Machine for Simulating Chemistry",
142 " Copyright (c) 1992-2013",
143 " Berk Hess, David van der Spoel, Erik Lindahl",
144 " and many collaborators!" };
145
146 return MessageBox(x11, gmx->wd->self, gmx->wd->text, asize(lines), lines,
147 MB_OK | MB_ICONGMX | MBFLAGS, MBCallback, gmx);
148 }
149
QuitCB(t_x11 * x11,int dlg_mess,int,char * set,void * data)150 static void QuitCB(t_x11* x11, int dlg_mess, int /*item_id*/, char* set, void* data)
151 {
152 t_gmx* gmx;
153 gmx = static_cast<t_gmx*>(data);
154
155 hide_mb(gmx);
156 if (dlg_mess == DLG_EXIT)
157 {
158 if (gmx_strcasecmp("yes", set) == 0)
159 {
160 write_gmx(x11, gmx, IDTERM);
161 }
162 }
163 }
164
quit_mb(t_x11 * x11,t_gmx * gmx)165 static t_dlg* quit_mb(t_x11* x11, t_gmx* gmx)
166 {
167 const char* lines[] = { " Do you really want to Quit ?" };
168
169 return MessageBox(x11, gmx->wd->self, gmx->wd->text, asize(lines), lines,
170 MB_YESNO | MB_ICONSTOP | MBFLAGS, QuitCB, gmx);
171 }
172
help_mb(t_x11 * x11,t_gmx * gmx)173 static t_dlg* help_mb(t_x11* x11, t_gmx* gmx)
174 {
175 const char* lines[] = { " Help will soon be added" };
176
177 return MessageBox(x11, gmx->wd->self, gmx->wd->text, asize(lines), lines,
178 MB_OK | MB_ICONINFORMATION | MBFLAGS, MBCallback, gmx);
179 }
180
ni_mb(t_x11 * x11,t_gmx * gmx)181 static t_dlg* ni_mb(t_x11* x11, t_gmx* gmx)
182 {
183 const char* lines[] = { " This feature has not been", " implemented yet." };
184
185 return MessageBox(x11, gmx->wd->self, gmx->wd->text, asize(lines), lines,
186 MB_OK | MB_ICONEXCLAMATION | MBFLAGS, MBCallback, gmx);
187 }
188
189 enum
190 {
191 eExE,
192 eExGrom,
193 eExPdb,
194 eExConf,
195 eExNR
196 };
197
ExportCB(t_x11 * x11,int dlg_mess,int item_id,char * set,void * data)198 static void ExportCB(t_x11* x11, int dlg_mess, int item_id, char* set, void* data)
199 {
200 bool bOk;
201 t_gmx* gmx;
202 t_dlg* dlg;
203
204 gmx = static_cast<t_gmx*>(data);
205 dlg = gmx->dlgs[edExport];
206 switch (dlg_mess)
207 {
208 case DLG_SET:
209 switch (item_id)
210 {
211 case eExGrom: gmx->ExpMode = eExpGromos; break;
212 case eExPdb: gmx->ExpMode = eExpPDB; break;
213 default: break;
214 }
215 #ifdef DEBUG
216 std::fprintf(stderr, "exportcb: item_id=%d\n", item_id);
217 #endif
218 break;
219 case DLG_EXIT:
220 if ((bOk = gmx_strcasecmp("ok", set)) == 0)
221 {
222 std::strcpy(gmx->confout, EditText(dlg, eExConf));
223 }
224 HideDlg(dlg);
225 if (bOk)
226 {
227 write_gmx(x11, gmx, IDDOEXPORT);
228 }
229 break;
230 }
231 }
232
233 enum
234 {
235 eg0,
236 egTOPOL,
237 egCONFIN,
238 egPARAM,
239 eg1,
240 eg1PROC,
241 eg32PROC
242 };
243
244 enum bond_set
245 {
246 ebShowH = 11,
247 ebDPlus,
248 ebRMPBC,
249 ebCue,
250 ebSkip,
251 ebWait
252 };
253
BondsCB(t_x11 * x11,int dlg_mess,int item_id,char * set,void * data)254 static void BondsCB(t_x11* x11, int dlg_mess, int item_id, char* set, void* data)
255 {
256 static int ebond = -1;
257 static int ebox = -1;
258 bool bOk, bBond = false;
259 int nskip, nwait;
260 t_gmx* gmx;
261 char* endptr;
262
263 gmx = static_cast<t_gmx*>(data);
264 if (ebond == -1)
265 {
266 ebond = gmx->man->molw->bond_type;
267 ebox = gmx->man->molw->boxtype;
268 }
269 switch (dlg_mess)
270 {
271 case DLG_SET:
272 if (item_id <= eBNR)
273 {
274 ebond = item_id - 1;
275 bBond = false;
276 }
277 else if (item_id <= eBNR + esbNR + 1)
278 {
279 ebox = item_id - eBNR - 2;
280 bBond = true;
281 }
282 else
283 {
284
285 #define DO_NOT(b) (b) = (!(b))
286
287 switch (item_id)
288 {
289 case ebShowH: toggle_hydrogen(x11, gmx->man->molw); break;
290 case ebDPlus: DO_NOT(gmx->man->bPlus);
291 #ifdef DEBUG
292 std::fprintf(stderr, "gmx->man->bPlus=%s\n", gmx->man->bPlus ? "true" : "false");
293 #endif
294 break;
295 case ebRMPBC: toggle_pbc(gmx->man); break;
296 case ebCue: DO_NOT(gmx->man->bSort);
297 #ifdef DEBUG
298 std::fprintf(stderr, "gmx->man->bSort=%s\n", gmx->man->bSort ? "true" : "false");
299 #endif
300 break;
301 case ebSkip:
302 nskip = std::strtol(set, &endptr, 10);
303 if (endptr != set)
304 {
305 #ifdef DEBUG
306 std::fprintf(stderr, "nskip: %d frames\n", nskip);
307 #endif
308 if (nskip >= 0)
309 {
310 gmx->man->nSkip = nskip;
311 }
312 }
313 break;
314 case ebWait:
315 nwait = std::strtol(set, &endptr, 10);
316 if (endptr != set)
317 {
318 #ifdef DEBUG
319 std::fprintf(stderr, "wait: %d ms\n", nwait);
320 #endif
321 if (nwait >= 0)
322 {
323 gmx->man->nWait = nwait;
324 }
325 }
326 default:
327 #ifdef DEBUG
328 std::fprintf(stderr, "item_id: %d, set: %s\n", item_id, set);
329 #endif
330 break;
331 }
332 }
333 break;
334 case DLG_EXIT:
335 bOk = (gmx_strcasecmp("ok", set) == 0);
336 HideDlg(gmx->dlgs[edBonds]);
337 if (bOk)
338 {
339 if (bBond)
340 {
341 switch (ebond)
342 {
343 case eBThin: write_gmx(x11, gmx, IDTHIN); break;
344 case eBFat: write_gmx(x11, gmx, IDFAT); break;
345 case eBVeryFat: write_gmx(x11, gmx, IDVERYFAT); break;
346 case eBSpheres: write_gmx(x11, gmx, IDBALLS); break;
347 default:
348 gmx_fatal(FARGS, "Invalid bond type %d at %s, %d", ebond, __FILE__, __LINE__);
349 }
350 }
351 else
352 {
353 switch (ebox)
354 {
355 case esbNone: write_gmx(x11, gmx, IDNOBOX); break;
356 case esbRect: write_gmx(x11, gmx, IDRECTBOX); break;
357 case esbTri: write_gmx(x11, gmx, IDTRIBOX); break;
358 case esbTrunc: write_gmx(x11, gmx, IDTOBOX); break;
359 default:
360 gmx_fatal(FARGS, "Invalid box type %d at %s, %d", ebox, __FILE__, __LINE__);
361 }
362 }
363 }
364 break;
365 }
366 }
367
368 enum
369 {
370 esFUNCT = 1,
371 esBSHOW,
372 esINFIL,
373 esINDEXFIL,
374 esLSQ,
375 esSHOW,
376 esPLOTFIL
377 };
378
379 typedef t_dlg* t_mmb(t_x11* x11, t_gmx* gmx);
380
381 typedef struct
382 {
383 const char* dlgfile;
384 DlgCallback* cb;
385 } t_dlginit;
386
init_dlgs(t_x11 * x11,t_gmx * gmx)387 void init_dlgs(t_x11* x11, t_gmx* gmx)
388 {
389 static t_dlginit di[] = { { "export.dlg", ExportCB }, { "bonds.dlg", BondsCB } };
390 static t_mmb* mi[emNR] = { quit_mb, help_mb, about_mb, ni_mb };
391
392 snew(gmx->dlgs, edNR);
393 for (int i = 0; (i < asize(di)); i++)
394 {
395 gmx->dlgs[i] = ReadDlg(x11, gmx->wd->self, di[i].dlgfile, di[i].dlgfile, 0, 0, true, false,
396 di[i].cb, gmx);
397 }
398
399 gmx->dlgs[edFilter] = select_filter(x11, gmx);
400
401 snew(gmx->mboxes, emNR);
402 for (int i = 0; (i < emNR); i++)
403 {
404 gmx->mboxes[i] = mi[i](x11, gmx);
405 }
406 gmx->which_mb = -1;
407 }
408
done_dlgs(t_gmx * gmx)409 void done_dlgs(t_gmx* gmx)
410 {
411 int i;
412
413 for (i = 0; (i < edNR); i++)
414 {
415 FreeDlg(gmx->dlgs[i]);
416 }
417 for (i = 0; (i < emNR); i++)
418 {
419 FreeDlg(gmx->mboxes[i]);
420 }
421 }
422
edit_file(const char * fn)423 void edit_file(const char* fn)
424 {
425 if (fork() == 0)
426 {
427 char script[256];
428
429 std::sprintf(script, "vi %s", fn);
430 shell_comm(fn, script, 0);
431 std::exit(0);
432 }
433 }
434