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.