OEUncolorStrategy

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

See also

• OEUncolorMol function

This namespace contains the following constants:

Default

The default uncolor action is OEUncolorStrategy::RemoveDimension and 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, also implies RemoveGroupStereo.

RemoveBondStereo

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

RemoveGroupStereo

Removes all MDL stereogroups (‘’abs’’, ‘’or’’, and ‘’and’’ groups).

RemoveAtomProperties

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

RemoveDimension

Clears the coordinates, resets stereo perception flags and sets the coordinate dimension to 0.

BemisMurcko

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