| /dports/science/openbabel/openbabel-3.1.1/include/openbabel/ |
| H A D | obiter.h | 164 class OBAPI OBMolBondIter {
170 OBMolBondIter() : _parent(nullptr), _ptr(nullptr) {} in OBMolBondIter() function
171 OBMolBondIter(OBMol *mol);
172 OBMolBondIter(OBMol &mol);
173 OBMolBondIter(const OBMolBondIter &bi);
174 ~OBMolBondIter() { } in ~OBMolBondIter()
176 OBMolBondIter& operator=(const OBMolBondIter &bi);
180 OBMolBondIter& operator++();
182 OBMolBondIter operator++(int);
399 #define FOR_BONDS_OF_MOL(b,m) for( OpenBabel::OBMolBondIter b(m); b; ++b )
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| /dports/science/openbabel/openbabel-3.1.1/src/ |
| H A D | obiter.cpp | 643 OBMolBondIter::OBMolBondIter(OBMol *mol) in OBMolBondIter() function in OpenBabel::OBMolBondIter
649 OBMolBondIter::OBMolBondIter(OBMol &mol) in OBMolBondIter() function in OpenBabel::OBMolBondIter
655 OBMolBondIter::OBMolBondIter(const OBMolBondIter &bi) in OBMolBondIter() function in OpenBabel::OBMolBondIter
662 OBMolBondIter& OBMolBondIter::operator=(const OBMolBondIter &bi) in operator =()
673 OBMolBondIter& OBMolBondIter::operator++() in operator ++()
679 OBMolBondIter OBMolBondIter::operator++(int) in operator ++()
681 OBMolBondIter tmp(*this); in operator ++()
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| H A D | RDKitConv.cpp | 29 using OpenBabel::OBMolBondIter;
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| /dports/science/openbabel/openbabel-3.1.1/scripts/ |
| H A D | openbabel-python.i | 386 %ignore OBMolBondIter(OBMol &);
407 %ignore OpenBabel::OBMolBondIter::operator->;
426 %rename(_OBMolBondIter) OpenBabel::OBMolBondIter;
499 class OBMolBondIter(OBIter):
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| H A D | openbabel-csharp.i | 534 OBMolBondIter iter = new OBMolBondIter(this); in Bonds()
905 %ignore OBMolBondIter(OBMol &);
977 WRAPITERATOR(OBMolBondIter,OpenBabel::OBMolBondIter,OBBond);
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| H A D | openbabel-perl.i | 260 %ignore OBMolBondIter(OBMol &);
338 MAKE_ITER_CLASS(OBMolBondIter, _OBMolBondIter)
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| H A D | openbabel-java.i | 358 %ignore OBMolBondIter(OBMol &);
401 WRAPITERATOR(OBMolBondIter, OBBond, );
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| H A D | openbabel-R.i | 400 %ignore OBMolBondIter(OBMol &);
443 WRAPITERATOR(OBMolBondIter, OBBond, );
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| H A D | openbabel-ruby.i | 281 %ignore OBMolBondIter(OBMol &);
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| H A D | openbabel-mono.i | 329 %ignore OBMolBondIter(OBMol &);
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| H A D | openbabel-php.i | 309 %ignore OBMolBondIter(OBMol &);
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| /dports/science/py-avogadrolibs/avogadrolibs-1.94.0/scripts/ |
| H A D | getresdata.py | 166 for bond in ob.OBMolBondIter(mol_sdf.OBMol):
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| /dports/science/avogadrolibs/avogadrolibs-1.94.0/scripts/ |
| H A D | getresdata.py | 166 for bond in ob.OBMolBondIter(mol_sdf.OBMol):
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| /dports/devel/py-cclib/cclib-1.7.1/cclib/io/ |
| H A D | filewriter.py | 118 for obbond in ob.OBMolBondIter(obmol):
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| /dports/science/openbabel/openbabel-3.1.1/scripts/java/ |
| H A D | openbabel-java.cpp | 14793 …result = (OpenBabel::OBMolBondIter *)new OpenBabel::OBMolBondIter(); *(OpenBabel::OBMolBondIter **… in Java_org_openbabel_openbabel_1javaJNI_new_1OBMolBondIter_1_1SWIG_10()
14798 …result = (OpenBabel::OBMolBondIter *)new OpenBabel::OBMolBondIter(arg1); *(OpenBabel::OBMolBondIte… in Java_org_openbabel_openbabel_1javaJNI_new_1OBMolBondIter_1_1SWIG_11()
14804 …return 0; } result = (OpenBabel::OBMolBondIter *)new OpenBabel::OBMolBondIter((OpenBabel::OBMolB… in Java_org_openbabel_openbabel_1javaJNI_new_1OBMolBondIter_1_1SWIG_12()
14814 …jlong jresult = 0 ; OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; OpenBabel::O… in Java_org_openbabel_openbabel_1javaJNI_OBMolBondIter_1inc_1_1SWIG_10()
14822 …*(OpenBabel::OBMolBondIter **)&jresult = new OpenBabel::OBMolBondIter((const OpenBabel::OBMolBondI… in Java_org_openbabel_openbabel_1javaJNI_OBMolBondIter_1inc_1_1SWIG_11()
14870 OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; int arg2 ; in Java_org_openbabel_openbabel_1javaJNI_OBMolBondIter_1Set()
14944 jlong jresult = 0 ; OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; in Java_org_openbabel_openbabel_1javaJNI_OBMolBondIter_1GetNbrAtom()
14961 jlong jresult = 0 ; OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; in Java_org_openbabel_openbabel_1javaJNI_OBMolBondIter_1GetNbrAtomIdx()
15042 jlong jresult = 0 ; OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; in Java_org_openbabel_openbabel_1javaJNI_OBMolBondIter_1DoTransformations()
15081 OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; in Java_org_openbabel_openbabel_1javaJNI_OBMolBondIter_1DeleteData_1_1SWIG_11()
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| /dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/io/ |
| H A D | babel.py | 153 for obbond in ob.OBMolBondIter(self._obmol):
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| /dports/science/openbabel/openbabel-3.1.1/scripts/R/examples/openbabelR/src/ |
| H A D | openbabel-R.cpp | 32779 result = (OpenBabel::OBMolBondIter *)new OpenBabel::OBMolBondIter(arg1); in R_swig_new_OBMolBondIter__SWIG_1()
32790 …result = (OpenBabel::OBMolBondIter *)new OpenBabel::OBMolBondIter((OpenBabel::OBMolBondIter const … in R_swig_new_OBMolBondIter__SWIG_2()
32801 OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ; in R_swig_OBMolBondIter_HasMore()
32809 OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ; in R_swig_OBMolBondIter_inc__SWIG_0()
32826 OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ; in R_swig_OBMolBondIter___deref__()
32835 OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ; in R_swig_OBMolBondIter___ref__()
32939 OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; int arg2 ; in R_swig_OBMolBondIter_Set()
33371 OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; in R_swig_OBMolBondIter_DoTransformations()
33454 OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; in R_swig_OBMolBondIter_DeleteData__SWIG_1()
33465 OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; in R_swig_OBMolBondIter_DeleteData__SWIG_2()
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| /dports/science/openbabel/openbabel-3.1.1/scripts/perl/ |
| H A D | openbabel-perl.cpp | 33850 result = (OpenBabel::OBMolBondIter *)new OpenBabel::OBMolBondIter(); in XS()
33859 result = (OpenBabel::OBMolBondIter *)new OpenBabel::OBMolBondIter(arg1); in XS()
33870 …result = (OpenBabel::OBMolBondIter *)new OpenBabel::OBMolBondIter((OpenBabel::OBMolBondIter const … in XS()
34003 XS(_wrap__OBMolBondIter_SetBegin) { { OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *)… in XS()
34013 XS(_wrap__OBMolBondIter_SetEnd) { { OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0… in XS()
34023 XS(_wrap__OBMolBondIter_SetParent) { { OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *… in XS()
34075 XS(_wrap__OBMolBondIter_Set) { { OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; … in XS()
34388 XS(_wrap__OBMolBondIter_GetNbrAtom) { { OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter … in XS()
34424 …S(_wrap__OBMolBondIter_GetNbrAtomIdx) { { OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIt… in XS()
34661 XS(_wrap__OBMolBondIter_SetTitle) { { OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *)… in XS()
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| H A D | OpenBabel.pm | 6480 package Chemistry::OpenBabel::OBMolBondIter;
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| /dports/science/openbabel/openbabel-3.1.1/scripts/ruby/ |
| H A D | openbabel-ruby.cpp | 43202 …result = (OpenBabel::OBMolBondIter *)new OpenBabel::OBMolBondIter((OpenBabel::OBMolBondIter const … in _wrap_new_OBMolBondIter__SWIG_2()
43214 OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *)self; in free_OpenBabel_OBMolBondIter()
43228 OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ; in _wrap_OBMolBondIter_inc__SWIG_0()
43255 OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ; in _wrap_OBMolBondIter_deref()
43265 OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ; in _wrap_OBMolBondIter___ref__()
43378 OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; int arg2 ; in _wrap_OBMolBondIter_set()
43408 OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ; in _wrap_OBMolBondIter_set_aromatic__SWIG_1()
43831 OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; in _wrap_OBMolBondIter_do_transformations()
43951 OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; in _wrap_OBMolBondIter_delete_data__SWIG_1()
43961 OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; in _wrap_OBMolBondIter_delete_data__SWIG_2()
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| /dports/science/tinker/tinker/python/ |
| H A D | boresch.py | 185 iter_bond = openbabel.OBMolBondIter(mymol.OBMol)
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| /dports/science/openbabel/openbabel-3.1.1/scripts/csharp/ |
| H A D | openbabel-csharp.cpp | 12599 …result = (OpenBabel::OBMolBondIter *)new OpenBabel::OBMolBondIter(arg1); jresult = (void *)result;… in CSharp_OpenBabel_new_OBMolBondIter__SWIG_0()
12601 …OpenBabel::OBMolBondIter *arg1 = 0 ; OpenBabel::OBMolBondIter *result = 0 ; arg1 = (OpenBabel::OBM… in CSharp_OpenBabel_new_OBMolBondIter__SWIG_1()
12604 …return 0; } result = (OpenBabel::OBMolBondIter *)new OpenBabel::OBMolBondIter((OpenBabel::OBMolB… in CSharp_OpenBabel_new_OBMolBondIter__SWIG_1()
12607 …OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; arg1 = (OpenBabel::OBMolBondIter… in CSharp_OpenBabel_delete_OBMolBondIter()
12609 …OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; bool result; arg1 = (OpenBabel::… in CSharp_OpenBabel_OBMolBondIter_obHasNext()
12612 …OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; OpenBabel::OBMolBondIter *result… in CSharp_OpenBabel_OBMolBondIter_obAdvance__SWIG_0()
12613 …arg1 = (OpenBabel::OBMolBondIter *)jarg1; result = (OpenBabel::OBMolBondIter *) &(arg1)->operator… in CSharp_OpenBabel_OBMolBondIter_obAdvance__SWIG_0()
12616 …OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; int arg2 ; OpenBabel::OBMolBondI… in CSharp_OpenBabel_OBMolBondIter_obAdvance__SWIG_1()
12618 …jresult = new OpenBabel::OBMolBondIter((const OpenBabel::OBMolBondIter &)result); return jresult;… in CSharp_OpenBabel_OBMolBondIter_obAdvance__SWIG_1()
12620 OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; OpenBabel::OBBond *result = 0 ; in CSharp_OpenBabel_OBMolBondIter___ref__()
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| /dports/science/openbabel/openbabel-3.1.1/test/ |
| H A D | testbindings.py | 640 bonds = list(ob.OBMolBondIter(mol.OBMol))
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| /dports/science/openbabel/openbabel-3.1.1/scripts/python/examples/ |
| H A D | dalke_test.py | 593 for bond in ob.OBMolBondIter(mol):
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| /dports/science/openbabel/openbabel-3.1.1/scripts/python/openbabel/ |
| H A D | openbabel-python.cpp | 42511 result = (OpenBabel::OBMolBondIter *)new OpenBabel::OBMolBondIter(); in _wrap_new__OBMolBondIter__SWIG_0()
42520 result = (OpenBabel::OBMolBondIter *)new OpenBabel::OBMolBondIter(arg1); in _wrap_new__OBMolBondIter__SWIG_1()
42530 arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); in _wrap_new__OBMolBondIter__SWIG_2()
42531 …result = (OpenBabel::OBMolBondIter *)new OpenBabel::OBMolBondIter((OpenBabel::OBMolBondIter const … in _wrap_new__OBMolBondIter__SWIG_2()
42545 …OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;… in _wrap_delete__OBMolBondIter()
42553 …OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *argp1 = 0 ; int res1 = 0 ;… in _wrap__OBMolBondIter___nonzero__()
42557 arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); in _wrap__OBMolBondIter___nonzero__()
42561 …PyObject *resultobj = 0; OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; void *a… in _wrap__OBMolBondIter_inc__SWIG_0()
42565 …arg1 = reinterpret_cast< OpenBabel::OBMolBondIter * >(argp1); result = (OpenBabel::OBMolBondIter *… in _wrap__OBMolBondIter_inc__SWIG_0()
42569 …PyObject *resultobj = 0; OpenBabel::OBMolBondIter *arg1 = (OpenBabel::OBMolBondIter *) 0 ; int arg… in _wrap__OBMolBondIter_inc__SWIG_1()
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