OESetCIPStereo¶
bool OESetCIPStereo(OEChem::OEMolBase &mol,
OEChem::OEAtomBase *atm, char s)
bool OESetCIPStereo(OEChem::OEMolBase &mol,
OEChem::OEBondBase *bnd, char s)
Set the internal OEChem stereochemistry from the given CIP stereo
descriptor. For OEAtomBase the descriptor must be
either ‘R’ or ‘S’, and for OEBondBase the descriptor
must be either ‘E’ or ‘Z’. Returns true
if the stereochemistry was
successfully set, and false
otherwise: i.e. the descriptor was
invalid or the specified atom or bond was not a CIP stereo center.