Searched refs:SetDihedralAtoms (Results 1 – 11 of 11) sorted by relevance
41 rotor.SetDihedralAtoms(ref_ptr); in testOBRotorGetSet()52 rotor.SetDihedralAtoms(ref_vector); in testOBRotorGetSet()81 rotor.SetDihedralAtoms(ref); in testOBRotorSetToAngle()113 rotor.SetDihedralAtoms(ref); in testOBRotorSetRotor()
379 rotor->SetDihedralAtoms(ref); in AssignTorVals()409 rotor->SetDihedralAtoms(ref); in SetRotAtoms()440 rotor->SetDihedralAtoms(ref); in SetRotAtomsByFix()452 rotor->SetDihedralAtoms(ref); in SetRotAtomsByFix()763 void OBRotor::SetDihedralAtoms(std::vector<int> &ref) in SetDihedralAtoms() function in OpenBabel::OBRotor779 void OBRotor::SetDihedralAtoms(int ref[4]) in SetDihedralAtoms() function in OpenBabel::OBRotor
185 void SetDihedralAtoms(std::vector<int> &ref);190 void SetDihedralAtoms(int ref[4]);
4454 *SetDihedralAtoms = *Chemistry::OpenBabelc::OBRotor_SetDihedralAtoms;
26035 …arg2 = reinterpret_cast< std::vector< int > * >(argp2); (arg1)->SetDihedralAtoms(*arg2); ST(argvi)… in XS()26045 …arg2 = reinterpret_cast< int * >(argp2); (arg1)->SetDihedralAtoms(arg2); ST(argvi) = sv_newmortal(… in XS()
4072 OBRotor.SetDihedralAtoms = new_instancemethod(_openbabel.OBRotor_SetDihedralAtoms, None, OBRotor)
39716 …terpret_cast< std::vector< int,std::allocator< int > > * >(argp2); (arg1)->SetDihedralAtoms(*arg2); in _wrap_OBRotor_SetDihedralAtoms__SWIG_0()39726 …arg2 = reinterpret_cast< int * >(argp2); (arg1)->SetDihedralAtoms(arg2); resultobj = SWIG_Py_Void(… in _wrap_OBRotor_SetDihedralAtoms__SWIG_1()
12094 (arg1)->SetDihedralAtoms(*arg2); } in CSharp_OpenBabel_OBRotor_SetDihedralAtoms__SWIG_0()12097 (arg1)->SetDihedralAtoms(arg2); } in CSharp_OpenBabel_OBRotor_SetDihedralAtoms__SWIG_1()
11953 (arg1)->SetDihedralAtoms(*arg2); } in Java_org_openbabel_openbabel_1javaJNI_OBRotor_1SetDihedralAtoms_1_1SWIG_10()11956 arg1 = *(OpenBabel::OBRotor **)&jarg1; arg2 = *(int **)&jarg2; (arg1)->SetDihedralAtoms(arg2); } in Java_org_openbabel_openbabel_1javaJNI_OBRotor_1SetDihedralAtoms_1_1SWIG_11()
23082 …terpret_cast< std::vector< int,std::allocator< int > > * >(argp2); (arg1)->SetDihedralAtoms(*arg2); in R_swig_OBRotor_SetDihedralAtoms__SWIG_0()23091 …arg2[_rswigi] = INTEGER(ref)[_rswigi]; } } } (arg1)->SetDihedralAtoms(arg2); r_ans = R_NilValue… in R_swig_OBRotor_SetDihedralAtoms__SWIG_1()
36087 …_cast< std::vector< int,std::allocator< int > > * >(argp2); (arg1)->SetDihedralAtoms(*arg2); retur… in _wrap_OBRotor_set_dihedral_atoms__SWIG_0()36097 …arg2 = reinterpret_cast< int * >(argp2); (arg1)->SetDihedralAtoms(arg2); return Qnil; fail: return… in _wrap_OBRotor_set_dihedral_atoms__SWIG_1()