Searched refs:cAtomInfoTetrahedral (Results 1 – 5 of 5) sorted by relevance
83 case cAtomInfoTetrahedral: return 3; // C3 Carbon - sp3 in getMacroModelAtomType()92 case cAtomInfoTetrahedral: return 16; // O3 Oxygen - single bond in getMacroModelAtomType()105 case cAtomInfoTetrahedral: in getMacroModelAtomType()121 if (ai->geom == cAtomInfoTetrahedral) { in getMacroModelAtomType()131 case cAtomInfoTetrahedral: return 55; // B3 Boron - sp3 in getMacroModelAtomType()
135 case cAtomInfoTetrahedral: in getMOL2Type()153 case cAtomInfoTetrahedral: in getMOL2Type()163 case cAtomInfoTetrahedral: return "O.3"; in getMOL2Type()174 case cAtomInfoTetrahedral: return "S.3"; in getMOL2Type()
185 case cAtomInfoTetrahedral: in ObjectMoleculeSetMissingNeighborCoords()
3777 case cAtomInfoTetrahedral: in ObjectMoleculeFindOpenValenceVector()3829 case cAtomInfoTetrahedral: in ObjectMoleculeFindOpenValenceVector()3862 case cAtomInfoTetrahedral: in ObjectMoleculeFindOpenValenceVector()4717 result = cAtomInfoTetrahedral; in ObjectMoleculeGetAtomGeometry()4738 result = cAtomInfoTetrahedral; in ObjectMoleculeGetAtomGeometry()5821 carbonVal[cAtomInfoTetrahedral] = 4; in ObjectMoleculeInferChemFromNeighGeom()5851 ai->geom = cAtomInfoTetrahedral; in ObjectMoleculeInferChemFromNeighGeom()5890 ai->geom = cAtomInfoTetrahedral; in ObjectMoleculeInferChemFromNeighGeom()5899 ai->geom = cAtomInfoTetrahedral; in ObjectMoleculeInferChemFromNeighGeom()5903 ai->geom = cAtomInfoTetrahedral; in ObjectMoleculeInferChemFromNeighGeom()[all …]
120 #define cAtomInfoTetrahedral 4 macro