| /dports/science/openbabel/openbabel-3.1.1/include/openbabel/ |
| H A D | forcefield.h | 1685 static double VectorTorsion(double *i, double *j, double *k, double *l);
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| /dports/science/openbabel/openbabel-3.1.1/src/forcefields/ |
| H A D | forcefieldgaff.cpp | 194 tor = OBForceField::VectorTorsion(pos_a, pos_b, pos_c, pos_d); in Compute()
296 tor = OBForceField::VectorTorsion(pos_a, pos_b, pos_c, pos_d); in Compute()
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| H A D | forcefieldghemical.cpp | 195 tor = DEG_TO_RAD * OBForceField::VectorTorsion(pos_a, pos_b, pos_c, pos_d); in Compute()
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| H A D | forcefieldmmff94.cpp | 480 tor = OBForceField::VectorTorsion(pos_a, pos_b, pos_c, pos_d); in Compute()
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| /dports/science/openbabel/openbabel-3.1.1/scripts/ |
| H A D | openbabel-csharp.i | 712 %template (VectorTorsion) std::vector<OpenBabel::OBTorsion>;
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| /dports/science/openbabel/openbabel-3.1.1/src/ |
| H A D | forcefield.cpp | 4277 double OBForceField::VectorTorsion(double *pos_i, double *pos_j, double *pos_k, double *pos_l) in VectorTorsion() function in OpenBabel::OBForceField
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| /dports/science/openbabel/openbabel-3.1.1/scripts/perl/ |
| H A D | OpenBabel.pm | 4235 *VectorTorsion = *Chemistry::OpenBabelc::OBForceField_VectorTorsion;
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| H A D | openbabel-perl.cpp | 25245 …et_cast< double * >(argp4); result = (double)OpenBabel::OBForceField::VectorTorsion(arg1,arg2,arg3… in XS()
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| /dports/science/openbabel/openbabel-3.1.1/scripts/python/openbabel/ |
| H A D | openbabel.py | 3414 VectorTorsion = staticmethod(_openbabel.OBForceField_VectorTorsion) variable in OBForceField
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| H A D | openbabel-python.cpp | 36562 …et_cast< double * >(argp4); result = (double)OpenBabel::OBForceField::VectorTorsion(arg1,arg2,arg3… in _wrap_OBForceField_VectorTorsion()
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| /dports/science/openbabel/openbabel-3.1.1/scripts/csharp/ |
| H A D | openbabel-csharp.cpp | 11861 …arg4 = (double *)jarg4; result = (double)OpenBabel::OBForceField::VectorTorsion(arg1,arg2,arg3,ar… in CSharp_OpenBabel_OBForceField_VectorTorsion()
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| /dports/science/openbabel/openbabel-3.1.1/scripts/java/ |
| H A D | openbabel-java.cpp | 10768 …result = (double)OpenBabel::OBForceField::VectorTorsion(arg1,arg2,arg3,arg4); jresult = (jdouble)r… in Java_org_openbabel_openbabel_1javaJNI_OBForceField_1VectorTorsion()
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| /dports/science/openbabel/openbabel-3.1.1/scripts/R/examples/openbabelR/src/ |
| H A D | openbabel-R.cpp | 26701 result = (double)OpenBabel::OBForceField::VectorTorsion(arg1,arg2,arg3,arg4); in R_swig_OBForceField_VectorTorsion()
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| /dports/science/openbabel/openbabel-3.1.1/scripts/ruby/ |
| H A D | openbabel-ruby.cpp | 35344 …et_cast< double * >(argp4); result = (double)OpenBabel::OBForceField::VectorTorsion(arg1,arg2,arg3… in _wrap_OBForceField_vector_torsion()
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