Searched refs:CartesianToInternal (Results 1 – 14 of 14) sorted by relevance
| /dports/science/openbabel/openbabel-3.1.1/src/formats/ |
| H A D | fhformat.cpp | 84 CartesianToInternal(vic,mol); in WriteMolecule()
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| H A D | gausszmatformat.cpp | 152 CartesianToInternal(vic,mol); in WriteMolecule()
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| H A D | mopacformat.cpp | 979 CartesianToInternal(vic,mol); in WriteMolecule()
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| /dports/science/openbabel/openbabel-3.1.1/include/openbabel/ |
| H A D | mol.h | 711 OBAPI void CartesianToInternal(std::vector<OBInternalCoord*>&,OBMol&);
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| /dports/science/openbabel/openbabel-3.1.1/src/ |
| H A D | obutil.cpp | 548 void CartesianToInternal(std::vector<OBInternalCoord*> &vic,OBMol &mol) in CartesianToInternal() function
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| H A D | mol.cpp | 918 CartesianToInternal(_internals, *this); in GetInternalCoord()
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| /dports/science/openbabel/openbabel-3.1.1/scripts/python/openbabel/ |
| H A D | openbabel.py | 2904 def CartesianToInternal(arg1, arg2): function
2905 return _openbabel.CartesianToInternal(arg1, arg2)
2906 CartesianToInternal = _openbabel.CartesianToInternal variable
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| H A D | openbabel-python.cpp | 30750 … arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); OpenBabel::CartesianToInternal(*arg1,*arg2); in _wrap_CartesianToInternal()
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| /dports/science/openbabel/openbabel-3.1.1/scripts/perl/ |
| H A D | OpenBabel.pm | 90 *CartesianToInternal = *Chemistry::OpenBabelc::CartesianToInternal;
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| H A D | openbabel-perl.cpp | 19799 … arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); OpenBabel::CartesianToInternal(*arg1,*arg2); in XS()
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| /dports/science/openbabel/openbabel-3.1.1/scripts/csharp/ |
| H A D | openbabel-csharp.cpp | 10133 OpenBabel::CartesianToInternal(*arg1,*arg2); } in CSharp_OpenBabel_CartesianToInternal()
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| /dports/science/openbabel/openbabel-3.1.1/scripts/java/ |
| H A D | openbabel-java.cpp | 8226 OpenBabel::CartesianToInternal(*arg1,*arg2); } in Java_org_openbabel_openbabel_1javaJNI_CartesianToInternal()
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| /dports/science/openbabel/openbabel-3.1.1/scripts/R/examples/openbabelR/src/ |
| H A D | openbabel-R.cpp | 18549 …arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); OpenBabel::CartesianToInternal(*arg1,*arg2);… in R_swig_CartesianToInternal()
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| /dports/science/openbabel/openbabel-3.1.1/scripts/ruby/ |
| H A D | openbabel-ruby.cpp | 29724 …arg2 = reinterpret_cast< OpenBabel::OBMol * >(argp2); OpenBabel::CartesianToInternal(*arg1,*arg2);… in _wrap_cartesian_to_internal()
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