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Searched refs:SetParameterFile (Results 1 – 9 of 9) sorted by relevance

/dports/science/openbabel/openbabel-3.1.1/include/openbabel/
H A Dforcefield.h609 void SetParameterFile(const std::string &filename) in SetParameterFile() function
/dports/science/openbabel/openbabel-3.1.1/scripts/perl/
H A DOpenBabel.pm4125 *SetParameterFile = *Chemistry::OpenBabelc::OBForceField_SetParameterFile;
H A Dopenbabel-perl.cpp22869 … arg2 = ptr; } (arg1)->SetParameterFile((std::string const &)*arg2); ST(argvi) = sv_newmortal(); in XS()
/dports/science/openbabel/openbabel-3.1.1/scripts/python/openbabel/
H A Dopenbabel.py3421 OBForceField.SetParameterFile = new_instancemethod(_openbabel.OBForceField_SetParameterFile, None, …
H A Dopenbabel-python.cpp34534 … arg2 = ptr; } (arg1)->SetParameterFile((std::string const &)*arg2); resultobj = SWIG_Py_Void(); in _wrap_OBForceField_SetParameterFile()
/dports/science/openbabel/openbabel-3.1.1/scripts/csharp/
H A Dopenbabel-csharp.cpp11265 …std::string arg2_str(jarg2); arg2 = &arg2_str; (arg1)->SetParameterFile((std::string const &)*arg… in CSharp_OpenBabel_OBForceField_SetParameterFile()
/dports/science/openbabel/openbabel-3.1.1/scripts/java/
H A Dopenbabel-java.cpp10085 (arg1)->SetParameterFile((std::string const &)*arg2); } in Java_org_openbabel_openbabel_1javaJNI_OBForceField_1SetParameterFile()
/dports/science/openbabel/openbabel-3.1.1/scripts/R/examples/openbabelR/src/
H A Dopenbabel-R.cpp25282 arg2 = ptr; } (arg1)->SetParameterFile((std::string const &)*arg2); r_ans = R_NilValue; in R_swig_OBForceField_SetParameterFile()
/dports/science/openbabel/openbabel-3.1.1/scripts/ruby/
H A Dopenbabel-ruby.cpp33428 …arg2 = ptr; } (arg1)->SetParameterFile((std::string const &)*arg2); if (SWIG_IsNewObj(res2)) dele… in _wrap_OBForceField_set_parameter_file()