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()

__call__(s1: OEBestOverlayScore, s2: OEBestOverlayScore) -> bool

CreateCopy

CreateCopy() -> OEHighestChargeTanimoto