OEMDLPerceiveParityΒΆ

void OEMDLPerceiveParity(OEMolBase &mol)

This function sets the MDL stereo parity information for each atom from the OEChem stereochemistry. Any atom that has tetrahedral stereo specified, has the appropriate value, one or two, placed in its ‘MDLParity’ generic data, with type unsigned int. This MDL stereo parity is relative to the current order of atoms returned by an iterator of atoms across a molecule. All other atoms, non-chiral or without stereo specified, have their MDL stereo parity set to zero.

OEMDLPerceiveParity internally calls the OEPerceiveChiral function, so there’s no need to explicitly call OEPerceiveChiral on a molecule prior to calling OEMDLPerceiveParity.

This function is the opposite of the OEMDLStereoFromParity function.