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

/dports/science/openbabel/openbabel-3.1.1/include/openbabel/
H A Dmol.h84 #define OB_HYBRID_MOL (1<<8) macro
388 void SetHybridizationPerceived(bool value = true) { SET_OR_UNSET_FLAG(OB_HYBRID_MOL); }
584 bool HasHybridizationPerceived() { return(HasFlag(OB_HYBRID_MOL)); } in HasHybridizationPerceived()
/dports/science/openbabel/openbabel-3.1.1/src/
H A Dmol.cpp1276 if (src.HasFlag(OB_HYBRID_MOL)) in operator =()
1277 this->SetFlag(OB_HYBRID_MOL); in operator =()
2279 _flags &= (~(OB_PCHARGE_MOL|OB_ATOMTYPES_MOL|OB_SSSR_MOL|OB_AROMATIC_MOL|OB_HYBRID_MOL)); in AddNewHydrogens()
3539 _flags &= (~(OB_HYBRID_MOL)); in PerceiveBondOrders()
/dports/science/openbabel/openbabel-3.1.1/scripts/perl/
H A DOpenBabel.pm6367 *OB_HYBRID_MOL = *Chemistry::OpenBabelc::OB_HYBRID_MOL;
/dports/science/openbabel/openbabel-3.1.1/scripts/python/openbabel/
H A Dopenbabel.py2714 OB_HYBRID_MOL = _openbabel.OB_HYBRID_MOL variable