8.9.4 OEOFlavor::MDL

This namespace controls the processing performed when writing OEFormat::MDL format files using the OEWriteMDLFile function.

The OEOFlavor::MDL::PMask set of bits controls the processing of the MDL stereo parity bit field of each atom. The default behaviour, with just the OEOFlavor::MDL::MDLParity flag set, is to call the function OEMDLPerceiveParity if the function OEMDLHasParity returns false. This determines the parity bit from OEChem's perceived stereochemistry if the MDL parity bits haven't already been set. Alternatively, the OEOFlavor::MDL::NoParity flag, instructs the high level writer to clear the MDL stereo parity field of every atom to zero. Finally, OEOFlavor::MDL::CurrentParity (or neither MDLParity nor NoParity) instructs the high-level writer to leave the MDL parity bits alone.