OEColorOverlap

class OEColorOverlap

Note

This deprecated class will not be developed further. It is being replaced by derivatives of OEColorFunc which provides more control and greater expandability.

Calculates chemical feature color overlap between a reference and a fit molecule.

Constructors

OEColorOverlap() -> OEColorOverlap
OEColorOverlap(rhs: OEColorOverlap) -> OEColorOverlap

Default and copy constructors.

ColorScore

ColorScore(res: OEColorResults) -> bool
ColorScore(fitmol: Union[OEGraphMol,OEMol,OEQMol],
           res: OEColorResults) -> bool

GetAllColor

GetAllColor() -> bool

GetSelfColor

GetSelfColor() -> float

SetAllColor

SetAllColor(arg2: bool) -> None

SetColorForceField

SetColorForceField(cffType: int) -> bool
SetColorForceField(ifs: oeistream) -> bool
SetColorForceField(filename: str) -> bool
SetColorForceField(cff: OEColorForceField) -> bool

SetFitMol

SetFitMol(fitmol: Union[OEGraphMol,OEMol,OEQMol]) -> bool

SetRefMol

SetRefMol(refmol: Union[OEGraphMol,OEMol,OEQMol]) -> bool