OEShapeQueryOptions

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:

  • GetDeduplicationDistance

  • GetRelativeGridContourVal

  • GetMaxNumGaussians

  • GetShapeGaussianRadius

  • GetColorGaussianRadius

  • GetScoreType

  • SetDeduplicationDistance

  • SetRelativeGridContourVal

  • SetMaxNumGaussians

  • SetShapeGaussianRadius

  • SetColorGaussianRadius

  • SetScoreType

    Constructors

    OEShapeQueryOptions()
OEShapeQueryOptions(const OEShapeQueryOptions&)

    Default and copy constructors.

    operator=

    OEShapeQueryOptions &operator=(const OEShapeQueryOptions &)

    The assignment operator.

    GetDeduplicationDistance

    double GetDeduplicationDistance() const

    Gets the deduplication distance that is used in the post processing of grid to Gaussians fit.

    GetRelativeGridContourVal

    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.

    GetMaxNumGaussians

    unsigned int GetMaxNumGaussians() const

    Returns the maximum number of Gaussians allowed in the grid to Gaussians fit.

    GetShapeGaussianRadius

    double GetShapeGaussianRadius() const

    Returns the radius of shape Gaussians used in the grid to Gaussians fit. Number 1.70 would be the default for Carbon radius.

    GetColorGaussianRadius

    double GetColorGaussianRadius() const

    Returns the radius of color Gaussians used in the grid to Gaussians fit. Number 1.08 would correspond to color Gaussian radius, and is the default.

    GetScoreType

    unsigned GetScoreType() const

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

    SetDeduplicationDistance

    bool SetDeduplicationDistance(double)

    Sets the deduplication distance that is used in the post processing of grid to Gaussians fit.

    SetRelativeGridContourVal

    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.

    SetMaxNumGaussians

    bool SetMaxNumGaussians()

    Sets the maximum number of Gaussians allowed in the grid to Gaussians fit.

    SetShapeGaussianRadius

    bool SetShapeGaussianRadius(double)

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

    SetColorGaussianRadius

    bool SetColorGaussianRadius(double)

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

    SetScoreType

    bool SetScoreType(unsigned)

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