OEEonOverlapScore

Attention

This is a preliminary API and may be improved based on user feedback. It is currently available in C++ and Python.

class OEEonOverlapScore : public OEShape::OEOverlapResults

This class stores shape and electrostatics overlap results.

The OEEonOverlapScore class defines the following public methods:

GetTanimoto
GetETTanimoto
GetTanimotoCombo
GetETOverlap
GetRefSelfET
GetFitSelfET

The following methods are publicly inherited from OEOverlapResults.

Constructors

Default, constructor from parent class object, and copy constructors.
OEEonOverlapScore() -> OEEonOverlapScore
OEEonOverlapScore(arg2: OEOverlapResults) -> OEEonOverlapScore
OEEonOverlapScore(arg2: OEEonOverlapScore) -> OEEonOverlapScore
Destructor
~OEEonOverlapScore()
GetTanimoto
GetTanimoto() -> float
This method returns the shape Tanimoto.
GetETTanimoto
GetETTanimoto() -> float
This method returns the electrostatic Tanimoto.
GetTanimotoCombo
GetTanimotoCombo() -> float
This method returns shape and electrostatics Tanimoto Combo.
GetETOverlap
GetETOverlap() -> float
This method returns the electrostatic overlap.
GetRefSelfET
GetRefSelfET() -> float
This method returns the electrostatic reference self overlap.
GetFitSelfET
GetFitSelfET() -> float
This method returns the electrostatic fit self overlap.