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