Searched refs:AddTorsionConstraint (Results 1 – 10 of 10) sorted by relevance
| /dports/science/openbabel/openbabel-3.1.1/include/openbabel/ |
| H A D | forcefield.h | 339 void AddTorsionConstraint(int a, int b, int c, int d, double torsion);
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| /dports/science/openbabel/openbabel-3.1.1/src/ |
| H A D | forcefield.cpp | 650 void OBFFConstraints::AddTorsionConstraint(int a, int b, int c, int d, double torsion) in AddTorsionConstraint() function in OpenBabel::OBFFConstraints
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| /dports/science/openbabel/openbabel-3.1.1/scripts/perl/ |
| H A D | OpenBabel.pm | 4073 *AddTorsionConstraint = *Chemistry::OpenBabelc::OBFFConstraints_AddTorsionConstraint;
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| H A D | openbabel-perl.cpp | 22632 …arg6 = static_cast< double >(val6); (arg1)->AddTorsionConstraint(arg2,arg3,arg4,arg5,arg6); ST(arg… in XS()
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| /dports/science/openbabel/openbabel-3.1.1/scripts/python/openbabel/ |
| H A D | openbabel.py | 3367 OBFFConstraints.AddTorsionConstraint = new_instancemethod(_openbabel.OBFFConstraints_AddTorsionCons…
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| H A D | openbabel-python.cpp | 34290 …arg6 = static_cast< double >(val6); (arg1)->AddTorsionConstraint(arg2,arg3,arg4,arg5,arg6); result… in _wrap_OBFFConstraints_AddTorsionConstraint()
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| /dports/science/openbabel/openbabel-3.1.1/scripts/csharp/ |
| H A D | openbabel-csharp.cpp | 11181 …arg5 = (int)jarg5; arg6 = (double)jarg6; (arg1)->AddTorsionConstraint(arg2,arg3,arg4,arg5,arg6);… in CSharp_OpenBabel_OBFFConstraints_AddTorsionConstraint()
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| /dports/science/openbabel/openbabel-3.1.1/scripts/java/ |
| H A D | openbabel-java.cpp | 9989 (arg1)->AddTorsionConstraint(arg2,arg3,arg4,arg5,arg6); } in Java_org_openbabel_openbabel_1javaJNI_OBFFConstraints_1AddTorsionConstraint()
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| /dports/science/openbabel/openbabel-3.1.1/scripts/R/examples/openbabelR/src/ |
| H A D | openbabel-R.cpp | 25097 …arg6 = static_cast< double >(REAL(torsion)[0]); (arg1)->AddTorsionConstraint(arg2,arg3,arg4,arg5,a… in R_swig_OBFFConstraints_AddTorsionConstraint()
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| /dports/science/openbabel/openbabel-3.1.1/scripts/ruby/ |
| H A D | openbabel-ruby.cpp | 33192 …arg6 = static_cast< double >(val6); (arg1)->AddTorsionConstraint(arg2,arg3,arg4,arg5,arg6); return… in _wrap_OBFFConstraints_add_torsion_constraint()
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