OEUncolorStrategyΒΆ

The OEUncolorStrategy namespace encodes symbolic constants representing types of actions for molecule uncoloring activities.

See also

This namespace contains the following constants:

Default

The default uncolor action is OEUncolorStrategy::BemisMurcko.

UncolorNone

This mode requests no changes be made to the structure.

ConvertAtomTypeToC

Convert all non-hydrogen atom types to carbon.

ConvertBondTypeToSingle

Convert all bond types to single bonds.

RemoveAtomStereo

Remove any atom stereo parity values as well as any stereo bond marks.

RemoveBondStereo

Remove any cis/tran bond parity values as well as any double either marks.

RemoveAtomProperties

Remove the following properties from the atoms: charge, aromaticity, isotope and map index values.

BemisMurcko

This mode embodies the following actions: OEUncolorStrategy::ConvertAtomTypeToC, OEUncolorStrategy::ConvertBondTypeToSingle, OEUncolorStrategy::RemoveAtomStereo, OEUncolorStrategy::RemoveBondStereo, OEUncolorStrategy::RemoveAtomProperties