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Searched refs:OB_TSPIN_MOL (Results 1 – 4 of 4) sorted by relevance

/dports/science/openbabel/openbabel-3.1.1/include/openbabel/
H A Dmol.h96 #define OB_TSPIN_MOL (1<<17) macro
/dports/science/openbabel/openbabel-3.1.1/src/
H A Dmol.cpp1173 SetFlag(OB_TSPIN_MOL); in SetTotalSpinMultiplicity()
1203 if (HasFlag(OB_TSPIN_MOL)) in GetTotalSpinMultiplicity()
1268 if (src.HasFlag(OB_TSPIN_MOL)) in operator =()
1269 this->SetFlag(OB_TSPIN_MOL); in operator =()
/dports/science/openbabel/openbabel-3.1.1/scripts/perl/
H A DOpenBabel.pm6373 *OB_TSPIN_MOL = *Chemistry::OpenBabelc::OB_TSPIN_MOL;
/dports/science/openbabel/openbabel-3.1.1/scripts/python/openbabel/
H A Dopenbabel.py2720 OB_TSPIN_MOL = _openbabel.OB_TSPIN_MOL variable