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.