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Searched refs:OBRotorIterator (Results 1 – 11 of 11) sorted by relevance

/dports/science/openbabel/openbabel-3.1.1/include/openbabel/
H A Drotor.h451 typedef std::vector<OBRotor*>::iterator OBRotorIterator; typedef
588 OBRotor *BeginRotor(OBRotorIterator &i) in BeginRotor()
597 OBRotor *NextRotor(OBRotorIterator &i) in NextRotor()
605 OBRotorIterator BeginRotors() { return(_rotor.begin()); } in BeginRotors()
609 OBRotorIterator EndRotors() { return(_rotor.end()); } in EndRotors()
/dports/science/openbabel/openbabel-3.1.1/tools/
H A Dobrotamer.cpp96 OBRotorIterator ri; in main()
/dports/science/openbabel/openbabel-3.1.1/src/
H A Dconformersearch.cpp351 OBRotorIterator it; in Setup()
352 OBRotorIterator end_it = m_rotorList.EndRotors(); in Setup()
409 OBRotorIterator ri; in Setup()
475 OBRotorIterator ri; in NextGeneration()
784 OBRotorIterator ri; in local_opt()
840 OBRotorIterator ri; in reproduce()
H A Dconfsearch.cpp366 OBRotorIterator ri; in DiverseConfGen()
H A Dforcefield.cpp1178 OBRotorIterator ri; in SystematicRotorSearchInitialize()
1309 OBRotorIterator ri; in FastRotorSearch()
1437 OBRotorIterator ri; in RandomRotorSearchInitialize()
1607 OBRotorIterator ri; in WeightedRotorSearch()
/dports/science/openbabel/openbabel-3.1.1/scripts/
H A Dopenbabel-csharp.i218 %ignore OpenBabel::OBRotorList::BeginRotor(OBRotorIterator &);
219 %ignore OpenBabel::OBRotorList::NextRotor(OBRotorIterator &);
/dports/science/openbabel/openbabel-3.1.1/scripts/java/
H A Dopenbabel-java.cpp12176 …penBabel::OBRotorList *arg1 = (OpenBabel::OBRotorList *) 0 ; OpenBabel::OBRotorIterator *arg2 = 0 ; in Java_org_openbabel_openbabel_1javaJNI_OBRotorList_1BeginRotor()
12178 arg2 = *(OpenBabel::OBRotorIterator **)&jarg2; if (!arg2) { in Java_org_openbabel_openbabel_1javaJNI_OBRotorList_1BeginRotor()
12182 …penBabel::OBRotorList *arg1 = (OpenBabel::OBRotorList *) 0 ; OpenBabel::OBRotorIterator *arg2 = 0 ; in Java_org_openbabel_openbabel_1javaJNI_OBRotorList_1NextRotor()
12184 arg2 = *(OpenBabel::OBRotorIterator **)&jarg2; if (!arg2) { in Java_org_openbabel_openbabel_1javaJNI_OBRotorList_1NextRotor()
12191 …*(OpenBabel::OBRotorIterator **)&jresult = new OpenBabel::OBRotorIterator((const OpenBabel::OBRoto… in Java_org_openbabel_openbabel_1javaJNI_OBRotorList_1BeginRotors()
12197 …*(OpenBabel::OBRotorIterator **)&jresult = new OpenBabel::OBRotorIterator((const OpenBabel::OBRoto… in Java_org_openbabel_openbabel_1javaJNI_OBRotorList_1EndRotors()
/dports/science/openbabel/openbabel-3.1.1/scripts/perl/
H A Dopenbabel-perl.cpp26703 …OpenBabel::OBRotorIterator *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2… in XS()
26714 …arg2 = reinterpret_cast< OpenBabel::OBRotorIterator * >(argp2); result = (OpenBabel::OBRotor *)(ar… in XS()
26718 …OpenBabel::OBRotorIterator *arg2 = 0 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 = 0 ; int res2… in XS()
26729 …arg2 = reinterpret_cast< OpenBabel::OBRotorIterator * >(argp2); result = (OpenBabel::OBRotor *)(ar… in XS()
26738 …T(argvi) = SWIG_NewPointerObj((new OpenBabel::OBRotorIterator(static_cast< const OpenBabel::OBRoto… in XS()
26746 …T(argvi) = SWIG_NewPointerObj((new OpenBabel::OBRotorIterator(static_cast< const OpenBabel::OBRoto… in XS()
/dports/science/openbabel/openbabel-3.1.1/scripts/python/openbabel/
H A Dopenbabel-python.cpp40319 …OpenBabel::OBRotorList *arg1 = (OpenBabel::OBRotorList *) 0 ; OpenBabel::OBRotorIterator *arg2 = 0… in _wrap_OBRotorList_BeginRotor()
40330 …arg2 = reinterpret_cast< OpenBabel::OBRotorIterator * >(argp2); result = (OpenBabel::OBRotor *)(ar… in _wrap_OBRotorList_BeginRotor()
40334 …OpenBabel::OBRotorList *arg1 = (OpenBabel::OBRotorList *) 0 ; OpenBabel::OBRotorIterator *arg2 = 0… in _wrap_OBRotorList_NextRotor()
40345 …arg2 = reinterpret_cast< OpenBabel::OBRotorIterator * >(argp2); result = (OpenBabel::OBRotor *)(ar… in _wrap_OBRotorList_NextRotor()
40355 …esultobj = SWIG_NewPointerObj((new OpenBabel::OBRotorIterator(static_cast< const OpenBabel::OBRoto… in _wrap_OBRotorList_BeginRotors()
40364 …esultobj = SWIG_NewPointerObj((new OpenBabel::OBRotorIterator(static_cast< const OpenBabel::OBRoto… in _wrap_OBRotorList_EndRotors()
/dports/science/openbabel/openbabel-3.1.1/scripts/R/examples/openbabelR/src/
H A Dopenbabel-R.cpp23540 …OpenBabel::OBRotorList *arg1 = (OpenBabel::OBRotorList *) 0 ; OpenBabel::OBRotorIterator *arg2 = 0… in R_swig_OBRotorList_BeginRotor()
23551 …arg2 = reinterpret_cast< OpenBabel::OBRotorIterator * >(argp2); result = (OpenBabel::OBRotor *)(ar… in R_swig_OBRotorList_BeginRotor()
23555 …OpenBabel::OBRotorList *arg1 = (OpenBabel::OBRotorList *) 0 ; OpenBabel::OBRotorIterator *arg2 = 0… in R_swig_OBRotorList_NextRotor()
23566 …arg2 = reinterpret_cast< OpenBabel::OBRotorIterator * >(argp2); result = (OpenBabel::OBRotor *)(ar… in R_swig_OBRotorList_NextRotor()
23576 …r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBRotorIterator(static_cast< const OpenBabel::OBRotor… in R_swig_OBRotorList_BeginRotors()
23585 …r_ans = SWIG_R_NewPointerObj((new OpenBabel::OBRotorIterator(static_cast< const OpenBabel::OBRotor… in R_swig_OBRotorList_EndRotors()
/dports/science/openbabel/openbabel-3.1.1/scripts/ruby/
H A Dopenbabel-ruby.cpp36677 …OpenBabel::OBRotorList *arg1 = (OpenBabel::OBRotorList *) 0 ; OpenBabel::OBRotorIterator *arg2 = 0… in _wrap_OBRotorList_begin_rotor()
36688 …arg2 = reinterpret_cast< OpenBabel::OBRotorIterator * >(argp2); result = (OpenBabel::OBRotor *)(ar… in _wrap_OBRotorList_begin_rotor()
36692 …OpenBabel::OBRotorList *arg1 = (OpenBabel::OBRotorList *) 0 ; OpenBabel::OBRotorIterator *arg2 = 0… in _wrap_OBRotorList_next_rotor()
36703 …arg2 = reinterpret_cast< OpenBabel::OBRotorIterator * >(argp2); result = (OpenBabel::OBRotor *)(ar… in _wrap_OBRotorList_next_rotor()
36714 …vresult = SWIG_NewPointerObj((new OpenBabel::OBRotorIterator(static_cast< const OpenBabel::OBRotor… in _wrap_OBRotorList_begin_rotors()
36724 …vresult = SWIG_NewPointerObj((new OpenBabel::OBRotorIterator(static_cast< const OpenBabel::OBRotor… in _wrap_OBRotorList_end_rotors()