OEColorOptions

class OEColorOptions : public OESystem::OEOptions

This class provides an interface to setup options required for OEColorFunc calculations.

The OEColorOptions class defines the following public methods:

GetColorForceField and SetColorForceField
GetMultiplier and SetMultiplier
GetScoreType and SetScoreType

Constructors

OEColorOptions(loadColorFF: bool = True) -> OEColorOptions
OEColorOptions(argOpts: OEColorOptions) -> OEColorOptions

Default and copy constructors.

GetColorForceField

GetColorForceField() -> OEColorForceField

See SetColorForceField method.

GetMultiplier

GetMultiplier() -> float

See SetMultiplier method.

GetScoreType

GetScoreType() -> int

See SetScoreType method.

SetColorForceField

SetColorForceField(value: int) -> bool
SetColorForceField(value: oeistream) -> bool
SetColorForceField(value: str) -> bool
SetColorForceField(value: OEColorForceField) -> bool

Sets the color force field to be used. By default the ImplicitMillsDean color force field is used.

SetMultiplier

SetMultiplier(value: float) -> bool

Sets the multiplier to the color score. THe multiplier only effects the color score and has no effect on the color tanimoto. Default: 1.0

SetScoreType

SetScoreType(value: int) -> bool

Sets the score type to be reported by this function. Possible values are defined in the OEScoreType namespace. Default: OEScoreType_Overlap