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(const OEShapeQueryOptions&)

Default and copy constructors.

OEShapeQueryOptions &operator=(const OEShapeQueryOptions &)

The assignment operator.

double GetRelativeGridContourVal() const

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

double GetShapeGaussianRadius() const

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

double GetColorGaussianRadius() const

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.

unsigned GetScoreType() const

Returns the grid score type via the namespace OEGridScoreType, with possible values OEGridScoreType.CosAngle and OEGridScoreType.Tanimoto.

bool SetRelativeGridContourVal(double)

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

bool SetShapeGaussianRadius(double)

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

bool SetColorGaussianRadius(double)

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

bool SetScoreType(unsigned)

Sets the grid score type via the namespace OEGridScoreType, with possible values OEGridScoreType.CosAngle and OEGridScoreType.Tanimoto.