OESetCachedSelfColor¶
bool OESetCachedSelfColor(OEChem::OEMCMolBase &mol,
const OEColorForceField &cff)
bool OESetCachedSelfColor(OEChem::OEMolBase &mol,
const OEColorForceField &cff)
Using the passed-in OEColorForceField, calculate and store the self color
on each molecule. For the OEMCMolBase, each conformer gets its own
stored value. To retrieve the value, use OEGetCachedSelfColor
.
OEColorOverlap and OEBestOverlay will use the cached value instead of re-calculating
the self terms.