Searched refs:BeginRotor (Results 1 – 15 of 15) sorted by relevance
97 OBRotor *rotor = rl.BeginRotor(ri); in main()
353 OBRotor* r = m_rotorList.BeginRotor(it); in Setup()410 OBRotor *rotor = m_rotorList.BeginRotor(ri); in Setup()476 OBRotor *rotor = m_rotorList.BeginRotor(ri); in NextGeneration()789 rotor = m_rotorList.BeginRotor(ri); in local_opt()898 rotor = m_rotorList.BeginRotor(ri); in reproduce()
70 for (rotor = BeginRotor(i);rotor;rotor = NextRotor(i)) in Setup()250 for (rotor = BeginRotor(i);rotor;rotor = NextRotor(i)) { in RemoveSymVals()300 for (rotor = BeginRotor(i);rotor;rotor = NextRotor(i)) in SetEvalAtoms()393 for (rotor = BeginRotor(i);rotor;rotor = NextRotor(i)) in SetRotAtoms()425 for (rotor = BeginRotor(i);rotor;rotor = NextRotor(i)) in SetRotAtomsByFix()
222 for (rotor = rl.BeginRotor(i);rotor;rotor = rl.NextRotor(i)) in Setup()263 for (rotor = rl.BeginRotor(i);rotor;rotor = rl.NextRotor(i)) in Setup()
1195 for (rotor = rl.BeginRotor(ri); rotor; in SystematicRotorSearchInitialize()1215 rotor = rl.BeginRotor(ri); in SystematicRotorSearchInitialize()1337 for (rotor = rl.BeginRotor(ri); rotor; rotor = rl.NextRotor(ri)) in FastRotorSearch()1459 for (rotor = rl.BeginRotor(ri); rotor; in RandomRotorSearchInitialize()1483 rotor = rl.BeginRotor(ri); in RandomRotorSearchInitialize()1637 for (rotor = rl.BeginRotor(ri); rotor; in WeightedRotorSearch()1679 rotor = rl.BeginRotor(ri); in WeightedRotorSearch()1684 rotor = rl.BeginRotor(ri); in WeightedRotorSearch()1755 rotor = rl.BeginRotor(ri); in WeightedRotorSearch()
378 OBRotor* rotor = rl.BeginRotor(ri); in DiverseConfGen()
588 OBRotor *BeginRotor(OBRotorIterator &i) in BeginRotor() function
218 %ignore OpenBabel::OBRotorList::BeginRotor(OBRotorIterator &);
4534 *BeginRotor = *Chemistry::OpenBabelc::OBRotorList_BeginRotor;
26714 …t< OpenBabel::OBRotorIterator * >(argp2); result = (OpenBabel::OBRotor *)(arg1)->BeginRotor(*arg2); in XS()
4125 OBRotorList.BeginRotor = new_instancemethod(_openbabel.OBRotorList_BeginRotor, None, OBRotorList)
40330 …t< OpenBabel::OBRotorIterator * >(argp2); result = (OpenBabel::OBRotor *)(arg1)->BeginRotor(*arg2); in _wrap_OBRotorList_BeginRotor()
12180 …result = (OpenBabel::OBRotor *)(arg1)->BeginRotor(*arg2); *(OpenBabel::OBRotor **)&jresult = resul… in Java_org_openbabel_openbabel_1javaJNI_OBRotorList_1BeginRotor()
23551 …t< OpenBabel::OBRotorIterator * >(argp2); result = (OpenBabel::OBRotor *)(arg1)->BeginRotor(*arg2); in R_swig_OBRotorList_BeginRotor()
36688 …t< OpenBabel::OBRotorIterator * >(argp2); result = (OpenBabel::OBRotor *)(arg1)->BeginRotor(*arg2); in _wrap_OBRotorList_begin_rotor()