OEAtomSetMDLParityΒΆ

bool OEAtomSetMDLParity(OEAtomBase *atm, unsigned int)

This function may be used to set the ‘MDL parity’ value associated with an atom. The interpretation of this unsigned integer is described in the MDL file format documentation, and will appear in the appropriate atom parity column of the atom connection tables in MDL file formats. This value may be retrieved using the OEAtomGetMDLParity function.

Typically, these values is either read from MDL connection tables or set by OEChem via the OEMDLPerceiveParity and OEMDLClearParity functions.