OEHighestChargeTanimoto
struct OEHighestChargeTanimoto : public OEShape::OEHighestColorTanimoto{};
This predicate compares two OEBestOverlayScore
objects and returns true if s1 scores better than s2 based on
electrostatic charge-density Tanimoto coefficient (range 0–1). Higher values
indicate better charge-distribution overlap between molecules. Used to sort or
select results from OEEonOverlay calculations.
operator()
bool operator()(const OEBestOverlayScore& s1, const OEBestOverlayScore& s2) const
CreateCopy
OESystem::OEBinaryFunction<OEBestOverlayScore , OEBestOverlayScore , bool>* CreateCopy() const