Searched refs:SystematicRotorSearchInitialize (Results 1 – 10 of 10) sorted by relevance
1087 … int SystematicRotorSearchInitialize(unsigned int geomSteps = 2500, bool sampleRingBonds = false);
1171 int OBForceField::SystematicRotorSearchInitialize(unsigned int geomSteps, bool sampleRingBonds) in SystematicRotorSearchInitialize() function in OpenBabel::OBForceField1282 if (SystematicRotorSearchInitialize(geomSteps, sampleRingBonds)) in SystematicRotorSearch()
4185 *SystematicRotorSearchInitialize = *Chemistry::OpenBabelc::OBForceField_SystematicRotorSearchInitia…
23795 …arg3 = static_cast< bool >(val3); result = (int)(arg1)->SystematicRotorSearchInitialize(arg2,arg3); in XS()23807 …2 = static_cast< unsigned int >(val2); result = (int)(arg1)->SystematicRotorSearchInitialize(arg2); in XS()23815 …_cast< OpenBabel::OBForceField * >(argp1); result = (int)(arg1)->SystematicRotorSearchInitialize(); in XS()
3481 OBForceField.SystematicRotorSearchInitialize = new_instancemethod(_openbabel.OBForceField_Systemati…
35324 …arg3 = static_cast< bool >(val3); result = (int)(arg1)->SystematicRotorSearchInitialize(arg2,arg3); in _wrap_OBForceField_SystematicRotorSearchInitialize__SWIG_0()35334 …arg2 = static_cast< unsigned int >(val2); result = (int)(arg1)->SystematicRotorSearchInitialize(ar… in _wrap_OBForceField_SystematicRotorSearchInitialize__SWIG_1()35341 …_cast< OpenBabel::OBForceField * >(argp1); result = (int)(arg1)->SystematicRotorSearchInitialize(); in _wrap_OBForceField_SystematicRotorSearchInitialize__SWIG_2()
11535 …result = (int)(arg1)->SystematicRotorSearchInitialize(arg2,arg3); jresult = result; return jresul… in CSharp_OpenBabel_OBForceField_SystematicRotorSearchInitialize__SWIG_0()11539 result = (int)(arg1)->SystematicRotorSearchInitialize(arg2); jresult = result; return jresult; } in CSharp_OpenBabel_OBForceField_SystematicRotorSearchInitialize__SWIG_1()11542 result = (int)(arg1)->SystematicRotorSearchInitialize(); jresult = result; return jresult; } in CSharp_OpenBabel_OBForceField_SystematicRotorSearchInitialize__SWIG_2()
10399 …arg3 = jarg3 ? true : false; result = (int)(arg1)->SystematicRotorSearchInitialize(arg2,arg3); jr… in Java_org_openbabel_openbabel_1javaJNI_OBForceField_1SystematicRotorSearchInitialize_1_1SWIG_10()10404 …result = (int)(arg1)->SystematicRotorSearchInitialize(arg2); jresult = (jint)result; return jresu… in Java_org_openbabel_openbabel_1javaJNI_OBForceField_1SystematicRotorSearchInitialize_1_1SWIG_11()10407 …g1 = *(OpenBabel::OBForceField **)&jarg1; result = (int)(arg1)->SystematicRotorSearchInitialize(); in Java_org_openbabel_openbabel_1javaJNI_OBForceField_1SystematicRotorSearchInitialize_1_1SWIG_12()
34223 …arg3 = static_cast< bool >(val3); result = (int)(arg1)->SystematicRotorSearchInitialize(arg2,arg3); in _wrap_OBForceField_systematic_rotor_search_initialize__SWIG_0()34234 …arg2 = static_cast< unsigned int >(val2); result = (int)(arg1)->SystematicRotorSearchInitialize(ar… in _wrap_OBForceField_systematic_rotor_search_initialize__SWIG_1()34242 …_cast< OpenBabel::OBForceField * >(argp1); result = (int)(arg1)->SystematicRotorSearchInitialize(); in _wrap_OBForceField_systematic_rotor_search_initialize__SWIG_2()
25880 …arg2 = static_cast< unsigned int >(val2); result = (int)(arg1)->SystematicRotorSearchInitialize(ar… in R_swig_OBForceField_SystematicRotorSearchInitialize__SWIG_0()25887 …_cast< OpenBabel::OBForceField * >(argp1); result = (int)(arg1)->SystematicRotorSearchInitialize(); in R_swig_OBForceField_SystematicRotorSearchInitialize__SWIG_1()