OEShapeQueryOptions

Attention

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

class OEShapeQueryOptions : public OESystem::OEOptions

This class provides an interface to setup options required for OEShapeQuery class.

The OEShapeQueryOptions class defines the following public methods:

Constructors

OEShapeQueryOptions() -> OEShapeQueryOptions
OEShapeQueryOptions(arg2: OEShapeQueryOptions) -> OEShapeQueryOptions

Default and copy constructors.

Assignment operator.

GetRelativeGridContourVal() -> float

Returns the maximum relative (to maximum grid value of the input grid) grid contour value allowed for the Gaussians in the final result.

GetShapeGaussianRadius() -> float

Returns the radius of shape Gaussians used in the grid-to-Gaussians fit. The number 1.70 is the default for the carbon radius.

GetColorGaussianRadius() -> float

Returns the radius of color Gaussians used in the grid-to-Gaussians fit. The number 1.08 corresponds to the color Gaussian radius and is the default.

GetScoreType() -> int

Returns the grid score type via the namespace OEGridScoreType, with possible values OEGridScoreType_CosAngle and OEGridScoreType_Tanimoto.

SetRelativeGridContourVal(value: float) -> bool

Sets the maximum relative (to maximum grid value of the input grid) grid contour value allowed for the Gaussians in the final result.

SetShapeGaussianRadius(value: float) -> bool

Sets the radius of shape Gaussians used in the grid-to-Gaussians fit.

SetColorGaussianRadius(value: float) -> bool

Sets the radius of color Gaussians used in the grid-to-Gaussians fit.

SetScoreType(value: int) -> bool

Sets the grid score type via the namespace OEGridScoreType, with possible values OEGridScoreType_CosAngle and OEGridScoreType_Tanimoto.