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.