OEUncolorMol¶
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.