OEEonPBResults

Attention

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

class OEEonPBResults

This class stores results of electrostatics PB potential overlap computation between a reference and a fit molecule.

The OEEonPBResults class defines the following public methods:

• GetTanimoto

• GetOverlap

• GetRefSelfOverlap

• GetFitSelfOverlap

Constructors

OEEonPBResults() -> OEEonPBResults
OEEonPBResults(arg2: OEEonPBResults) -> OEEonPBResults

Default and copy constructors.

Destructor

~OEEonPBResults()

GetTanimoto

GetTanimoto() -> float

This method returns the electrostatics potential similarity Tanimoto.

GetOverlap

GetOverlap() -> float

This method returns electrostatics potential overlap.

GetRefSelfOverlap

GetRefSelfOverlap() -> float

This method returns electrostatics potential reference molecule self overlap.

GetFitSelfOverlap

GetFitSelfOverlap() -> float

This method returns electrostatics potential fit molecule self overlap.