bool OEMDLGetParity(const OEMolBase &mol)
bool OEMDLGetParity(const OEMCMolBase &mol)

Returns the MDL ‘chiral’ flag status for a molecule. After reading from an MDL connection table this value is true if the chiral flag was ‘on’ in the header, indicating absolute stereochemistry for marked stereocenters. This value is false if the chiral flag setting was ‘off’ in the header, indicating relative stereochemistry for marked stereocenters. After calling the OEMDLPerceiveParity function this value is forced to true if any non-zero atom stereo parity values have been assigned. The function OEMDLHasParity returns whether the ‘chiral’ flag status is available, which may indicate the structure originated from an MDL structure file. If OEMDLHasParity is false, this function will also return false by default.

The OEMCMolBase overload of this function returns the ‘chiral’ flag status of the active conformer in the multi-conformer molecule.

See also