OEPerceiveCIPStereoΒΆ

unsigned int OEPerceiveCIPStereo(const OEMolBase& mol, const OEAtomBase* atom);

Perceives the Cahn-Ingold-Prelog descriptor for the given atom. The return value is taken from the OECIPAtomStereo namespace.

For a chiral atom center the function returns

For a non-chiral atom, the function always returns OECIPAtomStereo_NotStereo.

See also

unsigned int OEPerceiveCIPStereo(const OEMolBase& mol, const OEBondBase* bond);

Perceives the Cahn-Ingold-Prelog descriptor for the given bond stereo center. The return value is taken from the OECIPBondStereo namespace.

For a double bond, the function returns

For a non-chiral bond, the function always returns OECIPBondStereo_NotStereo.

See also