bool OESetCIPStereo(OEChem::OEMolBase &mol, OEChem::OEAtomBase *atm, char s); bool OESetCIPStereo(OEChem::OEMolBase &mol, OEChem::OEBondBase *bnd, char s);
These functions set the internal OEChem stereochemistry from the given
CIP stereo descriptor. For the OEAtomBase
form, the descriptor
s
must be either `R' or `S', and for the OEBondBase
form,
the descriptor s
must be either `E' or `Z'. This function 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.