OESetCIPStereoΒΆ

bool OESetCIPStereo(OEMolBase &mol, OEAtomBase* atom, unsigned int cipstereo);

Sets the internal OEChem stereochemistry from the given CIP atom stereo descriptor. The descriptor must be either OECIPAtomStereo_R or OECIPAtomStereo_S. This function returns true if the stereochemistry was successfully set, and false otherwise: i.e. the descriptor was invalid or the specified atom was not a CIP atom stereo center.

See also

bool OESetCIPStereo(OEMolBase &mol, OEBondBase* bond, unsigned int cipstereo);

Sets the internal OEChem stereochemistry from the given CIP atom stereo descriptor. The descriptor must be either OECIPBondStereo_E or OECIPBondStereo_Z. This function returns true if the stereochemistry was successfully set, and false otherwise: i.e. the descriptor was invalid or the specified bond was not a CIP bond stereo center.

See also