OEUncolorMolΒΆ

bool OEUncolorMol(OEChem::OEMolBase &uncoloredcmol, const OEChem::OEMolBase &inputmol,
                  unsigned uncolortype=OEUncolorStrategy::Default)
bool OEUncolorMol(OEChem::OEMCMolBase &uncoloredcmol, const OEChem::OEMCMolBase &inputmol,
                  unsigned uncolortype=OEUncolorStrategy::Default)
bool OEUncolorMol(OEChem::OEMolBase &moltouncolor,
                  unsigned uncolortype=OEUncolorStrategy::Default)
bool OEUncolorMol(OEChem::OEMCMolBase &moltouncolor,
                  unsigned uncolortype=OEUncolorStrategy::Default)

The OEUncolorMol function will remove chemical features from the output structure according to the OEUncolorStrategy. The default strategy is OEUncolorStrategy.RemoveDimension and OEUncolorStrategy.BemisMurcko.

For the function overloads that operate directly on the input molecule, the function returns true if uncoloring modifications were applied to the structure and false otherwise.