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.