Contains classes and functions related to molecular shape representation and processing. More...

Namespaces
	AlignmentResultSelectionMode
	Provides constants for selecting which alignment results are kept by alignment routines.

	SymmetryClass
	Provides constants for the rotational symmetry class of a Gaussian shape.

Classes
class	AlignmentResult
	Result of a Gaussian-shape alignment between a reference and an aligned shape. More...

class	ExactGaussianShapeOverlapFunction
	Shape::GaussianShapeOverlapFunction implementation that evaluates the overlap analytically using the full Gaussian-product expansion (no approximations). More...

class	FastGaussianShapeAlignment
	High-level driver for the fast alignment of Gaussian shapes against a set of reference shapes. More...

class	FastGaussianShapeOverlapFunction
	Shape::GaussianShapeOverlapFunction implementation that uses two approximation techniques to trade some accuracy for a substantial speedup compared to Shape::ExactGaussianShapeOverlapFunction. More...

class	GaussianShape
	Data type for the descripton of arbitrary shapes composed of spheres approximated by gaussian functions. More...

class	GaussianShapeAlignment
	High-level driver for the alignment of Gaussian shapes against a set of reference shapes. More...

class	GaussianShapeAlignmentStartGenerator
	Abstract base class for generators of starting transformations used to seed Gaussian-shape overlap optimization. More...

class	GaussianShapeFunction
	Function representation of a Gaussian shape, used to evaluate the shape's density, volume, surface area and related quantities at arbitrary 3D positions. More...

class	GaussianShapeFunctionAlignment
	Driver for the alignment of one Shape::GaussianShapeFunction (the aligned shape) against a fixed reference Shape::GaussianShapeFunction. More...

class	GaussianShapeGenerator
	Generates Shape::GaussianShape instances from molecular graphs. More...

class	GaussianShapeOverlapFunction
	Abstract base class for functions evaluating the overlap between two Gaussian shape functions. More...

class	GaussianShapeSet
	Data structure storing a set of (shared) Gaussian shapes. More...

class	PrincipalAxesAlignmentStartGenerator
	Generator that produces alignment starting transformations by aligning the principal axes of the aligned shape to those of the reference shape. More...

class	TotalOverlapTanimotoScore
	Functor wrapping Shape::calcTotalOverlapTanimotoScore(). More...

class	ShapeTanimotoScore
	Functor wrapping Shape::calcShapeTanimotoScore(). More...

class	ColorTanimotoScore
	Functor wrapping Shape::calcColorTanimotoScore(). More...

class	TanimotoComboScore
	Functor wrapping Shape::calcTanimotoComboScore(). More...

class	TotalOverlapTverskyScore
	Functor wrapping Shape::calcTotalOverlapTverskyScore(). More...

class	ShapeTverskyScore
	Functor wrapping Shape::calcShapeTverskyScore(). More...

class	ColorTverskyScore
	Functor wrapping Shape::calcColorTverskyScore(). More...

class	TverskyComboScore
	Functor wrapping Shape::calcTverskyComboScore(). More...

class	ReferenceTotalOverlapTverskyScore
	Functor wrapping Shape::calcReferenceTotalOverlapTverskyScore(). More...

class	ReferenceShapeTverskyScore
	Functor wrapping Shape::calcReferenceShapeTverskyScore(). More...

class	ReferenceColorTverskyScore
	Functor wrapping Shape::calcReferenceColorTverskyScore(). More...

class	ReferenceTverskyComboScore
	Functor wrapping Shape::calcReferenceTverskyComboScore(). More...

class	AlignedTotalOverlapTverskyScore
	Functor wrapping Shape::calcAlignedTotalOverlapTverskyScore(). More...

class	AlignedShapeTverskyScore
	Functor wrapping Shape::calcAlignedShapeTverskyScore(). More...

class	AlignedColorTverskyScore
	Functor wrapping Shape::calcAlignedColorTverskyScore(). More...

class	AlignedTverskyComboScore
	Functor wrapping Shape::calcAlignedTverskyComboScore(). More...

class	ScreeningProcessor
	High-level driver for shape-based virtual screening of molecular databases. More...

class	ScreeningSettings
	Bundle of configuration parameters for Shape::ScreeningProcessor. More...

Typedefs
typedef Math::Vector7D	QuaternionTransformation
	Bounded 7 element vector specifying a quaternion-based rotation plus translation. More...

Functions
CDPL_SHAPE_API void	generateGaussianShape (const Chem::AtomContainer &atoms, GaussianShape &shape, bool append=false, double radius=-1.0, bool inc_h=false, double p=2.7)
	Builds a Gaussian shape from the atoms of atoms (using the default atom 3D coordinates accessor). More...

CDPL_SHAPE_API void	generateGaussianShape (const Chem::AtomContainer &atoms, GaussianShape &shape, const Chem::Atom3DCoordinatesFunction &coords_func, bool append=false, double radius=-1.0, bool inc_h=false, double p=2.7)
	Builds a Gaussian shape from the atoms of atoms using coords_func to retrieve atom positions. More...

CDPL_SHAPE_API void	generateGaussianShape (const Pharm::FeatureContainer &features, GaussianShape &shape, bool append=false, double radius=-1.0, bool inc_xv=false, double p=5.0)
	Builds a Gaussian shape from the pharmacophore features of features. More...

CDPL_SHAPE_API void	transform (GaussianShape &shape, const Math::Matrix4D &xform)
	Applies an affine transformation to the element positions of shape. More...

CDPL_SHAPE_API unsigned int	centerAndAlignPrincipalAxes (GaussianShape &shape, const GaussianShapeFunction &func, Math::Matrix4D &back_xform, double mom_eq_thresh=0.15)
	Centers shape at its centroid and aligns its principal axes with the coordinate axes. More...

CDPL_SHAPE_API double	calcTotalOverlapTanimotoScore (const AlignmentResult &res)
	Returns the (shape + color) total-overlap Tanimoto similarity score of res. More...

CDPL_SHAPE_API double	calcShapeTanimotoScore (const AlignmentResult &res)
	Returns the shape-only Tanimoto similarity score of res. More...

CDPL_SHAPE_API double	calcColorTanimotoScore (const AlignmentResult &res)
	Returns the color (pharmacophore) Tanimoto similarity score of res. More...

CDPL_SHAPE_API double	calcTanimotoComboScore (const AlignmentResult &res)
	Returns the combined shape + color Tanimoto score of res. More...

CDPL_SHAPE_API double	calcTotalOverlapTverskyScore (const AlignmentResult &res, double alpha=0.95, double beta=0.05)
	Returns the (shape + color) total-overlap symmetric Tversky similarity score of res. More...

CDPL_SHAPE_API double	calcShapeTverskyScore (const AlignmentResult &res, double alpha=0.95, double beta=0.05)
	Returns the shape-only symmetric Tversky similarity score of res. More...

CDPL_SHAPE_API double	calcColorTverskyScore (const AlignmentResult &res, double alpha=0.95, double beta=0.05)
	Returns the color (pharmacophore) symmetric Tversky similarity score of res. More...

CDPL_SHAPE_API double	calcTverskyComboScore (const AlignmentResult &res, double alpha=0.95, double beta=0.05)
	Returns the combined shape + color symmetric Tversky score of res. More...

CDPL_SHAPE_API double	calcReferenceTotalOverlapTverskyScore (const AlignmentResult &res, double alpha=0.95)
	Returns the (shape + color) total-overlap reference-normalized Tversky similarity score of res. More...

CDPL_SHAPE_API double	calcReferenceShapeTverskyScore (const AlignmentResult &res, double alpha=0.95)
	Returns the shape-only reference-normalized Tversky similarity score of res. More...

CDPL_SHAPE_API double	calcReferenceColorTverskyScore (const AlignmentResult &res, double alpha=0.95)
	Returns the color (pharmacophore) reference-normalized Tversky similarity score of res. More...

CDPL_SHAPE_API double	calcReferenceTverskyComboScore (const AlignmentResult &res, double alpha=0.95)
	Returns the combined shape + color reference-normalized Tversky score of res. More...

CDPL_SHAPE_API double	calcAlignedTotalOverlapTverskyScore (const AlignmentResult &res, double beta=0.95)
	Returns the (shape + color) total-overlap aligned-normalized Tversky similarity score of res. More...

CDPL_SHAPE_API double	calcAlignedShapeTverskyScore (const AlignmentResult &res, double beta=0.95)
	Returns the shape-only aligned-normalized Tversky similarity score of res. More...

CDPL_SHAPE_API double	calcAlignedColorTverskyScore (const AlignmentResult &res, double beta=0.95)
	Returns the color (pharmacophore) aligned-normalized Tversky similarity score of res. More...

CDPL_SHAPE_API double	calcAlignedTverskyComboScore (const AlignmentResult &res, double beta=0.95)
	Returns the combined shape + color aligned-normalized Tversky score of res. More...

CDPL_SHAPE_API void	calcQuadrupoleTensorEigenDecomposition (const Math::Matrix3D &quad_tensor, Math::Matrix3D &eigen_vecs, Math::Vector3D &eigen_vals)
	Calculates the eigen-decomposition of a 3x3 quadrupole tensor. More...

CDPL_SHAPE_API void	calcPrincipalAxes (const Math::Matrix3D &quad_tensor, Math::Vector3D &x_axis, Math::Vector3D &y_axis, Math::Vector3D &z_axis, Math::Vector3D &moments)
	Calculates the principal axes and principal moments of a quadrupole tensor. More...

CDPL_SHAPE_API unsigned int	perceiveSymmetryClass (const Math::Vector3D &moments, double eq_thresh=0.15)
	Classifies the rotational symmetry of a shape from its principal moments (see namespace Shape::SymmetryClass). More...

CDPL_SHAPE_API unsigned int	calcCenterAlignmentTransforms (const Shape::GaussianShapeFunction &func, Math::Matrix4D &to_ctr_xform, Math::Matrix4D &from_ctr_xform, double mom_eq_thresh=0.15)
	Calculates the affine transformations that align a Gaussian shape to its center of mass and back. More...

CDPL_SHAPE_API void	matrixToQuaternion (const Math::Matrix4D &mtx, QuaternionTransformation &quat)
	Converts an affine 4x4 transformation matrix to a quaternion-plus-translation representation. More...

CDPL_SHAPE_API void	quaternionToMatrix (const QuaternionTransformation &quat, Math::Matrix4D &mtx)
	Converts a quaternion-plus-translation representation back to an affine 4x4 transformation matrix. More...

Detailed Description

Contains classes and functions related to molecular shape representation and processing.

Typedef Documentation

◆ QuaternionTransformation

typedef Math::Vector7D CDPL::Shape::QuaternionTransformation

Bounded 7 element vector specifying a quaternion-based rotation plus translation.

Function Documentation

◆ generateGaussianShape() [1/3]

CDPL_SHAPE_API void CDPL::Shape::generateGaussianShape	(	const Chem::AtomContainer &	atoms,
		GaussianShape &	shape,
		bool	append = `false`,
		double	radius = `-1.0`,
		bool	inc_h = `false`,
		double	p = `2.7`
	)

Builds a Gaussian shape from the atoms of atoms (using the default atom 3D coordinates accessor).

Parameters

atoms	The atom container.
shape	The output Gaussian shape.
append	If `true`, the new elements are appended to shape; otherwise shape is cleared first.
radius	The sphere radius to use for all atoms, or a negative value to use atom-specific Van der Waals radii.
inc_h	If `true`, hydrogen atoms are also included in the shape.
p	The Gaussian hardness used for all generated spheres.

◆ generateGaussianShape() [2/3]

CDPL_SHAPE_API void CDPL::Shape::generateGaussianShape	(	const Chem::AtomContainer &	atoms,
		GaussianShape &	shape,
		const Chem::Atom3DCoordinatesFunction &	coords_func,
		bool	append = `false`,
		double	radius = `-1.0`,
		bool	inc_h = `false`,
		double	p = `2.7`
	)

Builds a Gaussian shape from the atoms of atoms using coords_func to retrieve atom positions.

Parameters

atoms	The atom container.
shape	The output Gaussian shape.
coords_func	The function used to retrieve atom 3D-coordinates.
append	If `true`, the new elements are appended to shape; otherwise shape is cleared first.
radius	The sphere radius to use for all atoms, or a negative value to use atom-specific Van der Waals radii.
inc_h	If `true`, hydrogen atoms are also included in the shape.
p	The Gaussian hardness used for all generated spheres.

◆ generateGaussianShape() [3/3]

CDPL_SHAPE_API void CDPL::Shape::generateGaussianShape	(	const Pharm::FeatureContainer &	features,
		GaussianShape &	shape,
		bool	append = `false`,
		double	radius = `-1.0`,
		bool	inc_xv = `false`,
		double	p = `5.0`
	)

Builds a Gaussian shape from the pharmacophore features of features.

Parameters

features	The feature container.
shape	The output Gaussian shape.
append	If `true`, the new elements are appended to shape; otherwise shape is cleared first.
radius	The sphere radius to use for all features, or a negative value to use feature-specific tolerances.
inc_xv	If `true`, exclusion-volume features are also included in the shape.
p	The Gaussian hardness used for all generated spheres.

◆ transform()

CDPL_SHAPE_API void CDPL::Shape::transform	(	GaussianShape &	shape,
		const Math::Matrix4D &	xform
	)

Applies an affine transformation to the element positions of shape.

Parameters

shape	The Gaussian shape to transform (modified in place).
xform	The 4x4 transformation matrix.

◆ centerAndAlignPrincipalAxes()

CDPL_SHAPE_API unsigned int CDPL::Shape::centerAndAlignPrincipalAxes	(	GaussianShape &	shape,
		const GaussianShapeFunction &	func,
		Math::Matrix4D &	back_xform,
		double	mom_eq_thresh = `0.15`
	)

Centers shape at its centroid and aligns its principal axes with the coordinate axes.

Parameters

shape	The Gaussian shape to align (modified in place).
func	The associated Shape::GaussianShapeFunction used to compute the principal axes.
back_xform	The output transformation that maps the aligned shape back to its original frame.
mom_eq_thresh	The relative threshold below which two principal moments are considered equal.

Returns: The perceived symmetry class of the shape (see namespace Shape::SymmetryClass).

◆ calcTotalOverlapTanimotoScore()

CDPL_SHAPE_API double CDPL::Shape::calcTotalOverlapTanimotoScore ( const AlignmentResult & res )

Returns the (shape + color) total-overlap Tanimoto similarity score of res.

Parameters

res	The alignment result.

Returns: The total-overlap Tanimoto similarity score.

◆ calcShapeTanimotoScore()

CDPL_SHAPE_API double CDPL::Shape::calcShapeTanimotoScore ( const AlignmentResult & res )

Returns the shape-only Tanimoto similarity score of res.

Parameters

res	The alignment result.

Returns: The shape-only Tanimoto similarity score.

◆ calcColorTanimotoScore()

CDPL_SHAPE_API double CDPL::Shape::calcColorTanimotoScore ( const AlignmentResult & res )

Returns the color (pharmacophore) Tanimoto similarity score of res.

Parameters

res	The alignment result.

Returns: The color Tanimoto similarity score.

◆ calcTanimotoComboScore()

CDPL_SHAPE_API double CDPL::Shape::calcTanimotoComboScore ( const AlignmentResult & res )

Returns the combined shape + color Tanimoto score of res.

Parameters

res	The alignment result.

Returns: The Tanimoto combo score (sum of shape and color Tanimoto scores).

◆ calcTotalOverlapTverskyScore()

CDPL_SHAPE_API double CDPL::Shape::calcTotalOverlapTverskyScore	(	const AlignmentResult &	res,
		double	alpha = `0.95`,
		double	beta = `0.05`
	)

Returns the (shape + color) total-overlap symmetric Tversky similarity score of res.

Parameters

res	The alignment result.
alpha	The weight of the reference self-overlap contribution.
beta	The weight of the aligned self-overlap contribution.

Returns: The total-overlap symmetric Tversky similarity score.

◆ calcShapeTverskyScore()

CDPL_SHAPE_API double CDPL::Shape::calcShapeTverskyScore	(	const AlignmentResult &	res,
		double	alpha = `0.95`,
		double	beta = `0.05`
	)

Returns the shape-only symmetric Tversky similarity score of res.

Parameters

res	The alignment result.
alpha	The weight of the reference self-overlap contribution.
beta	The weight of the aligned self-overlap contribution.

Returns: The shape-only symmetric Tversky similarity score.

◆ calcColorTverskyScore()

CDPL_SHAPE_API double CDPL::Shape::calcColorTverskyScore	(	const AlignmentResult &	res,
		double	alpha = `0.95`,
		double	beta = `0.05`
	)

Returns the color (pharmacophore) symmetric Tversky similarity score of res.

Parameters

res	The alignment result.
alpha	The weight of the reference self-overlap contribution.
beta	The weight of the aligned self-overlap contribution.

Returns: The color symmetric Tversky similarity score.

◆ calcTverskyComboScore()

CDPL_SHAPE_API double CDPL::Shape::calcTverskyComboScore	(	const AlignmentResult &	res,
		double	alpha = `0.95`,
		double	beta = `0.05`
	)

Returns the combined shape + color symmetric Tversky score of res.

Parameters

res	The alignment result.
alpha	The weight of the reference self-overlap contribution.
beta	The weight of the aligned self-overlap contribution.

Returns: The symmetric Tversky combo score (sum of shape and color Tversky scores).

◆ calcReferenceTotalOverlapTverskyScore()

CDPL_SHAPE_API double CDPL::Shape::calcReferenceTotalOverlapTverskyScore	(	const AlignmentResult &	res,
		double	alpha = `0.95`
	)

Returns the (shape + color) total-overlap reference-normalized Tversky similarity score of res.

Parameters

res	The alignment result.
alpha	The reference-side Tversky weighting factor.

Returns: The total-overlap reference-normalized Tversky similarity score.

◆ calcReferenceShapeTverskyScore()

CDPL_SHAPE_API double CDPL::Shape::calcReferenceShapeTverskyScore	(	const AlignmentResult &	res,
		double	alpha = `0.95`
	)

Returns the shape-only reference-normalized Tversky similarity score of res.

Parameters

res	The alignment result.
alpha	The reference-side Tversky weighting factor.

Returns: The shape-only reference-normalized Tversky similarity score.

◆ calcReferenceColorTverskyScore()

CDPL_SHAPE_API double CDPL::Shape::calcReferenceColorTverskyScore	(	const AlignmentResult &	res,
		double	alpha = `0.95`
	)

Returns the color (pharmacophore) reference-normalized Tversky similarity score of res.

Parameters

res	The alignment result.
alpha	The reference-side Tversky weighting factor.

Returns: The color reference-normalized Tversky similarity score.

◆ calcReferenceTverskyComboScore()

CDPL_SHAPE_API double CDPL::Shape::calcReferenceTverskyComboScore	(	const AlignmentResult &	res,
		double	alpha = `0.95`
	)

Returns the combined shape + color reference-normalized Tversky score of res.

Parameters

res	The alignment result.
alpha	The reference-side Tversky weighting factor.

Returns: The reference-normalized Tversky combo score (sum of shape and color reference-Tversky scores).

◆ calcAlignedTotalOverlapTverskyScore()

CDPL_SHAPE_API double CDPL::Shape::calcAlignedTotalOverlapTverskyScore	(	const AlignmentResult &	res,
		double	beta = `0.95`
	)

Returns the (shape + color) total-overlap aligned-normalized Tversky similarity score of res.

Parameters

res	The alignment result.
beta	The aligned-side Tversky weighting factor.

Returns: The total-overlap aligned-normalized Tversky similarity score.

◆ calcAlignedShapeTverskyScore()

CDPL_SHAPE_API double CDPL::Shape::calcAlignedShapeTverskyScore	(	const AlignmentResult &	res,
		double	beta = `0.95`
	)

Returns the shape-only aligned-normalized Tversky similarity score of res.

Parameters

res	The alignment result.
beta	The aligned-side Tversky weighting factor.

Returns: The shape-only aligned-normalized Tversky similarity score.

◆ calcAlignedColorTverskyScore()

CDPL_SHAPE_API double CDPL::Shape::calcAlignedColorTverskyScore	(	const AlignmentResult &	res,
		double	beta = `0.95`
	)

Returns the color (pharmacophore) aligned-normalized Tversky similarity score of res.

Parameters

res	The alignment result.
beta	The aligned-side Tversky weighting factor.

Returns: The color aligned-normalized Tversky similarity score.

◆ calcAlignedTverskyComboScore()

CDPL_SHAPE_API double CDPL::Shape::calcAlignedTverskyComboScore	(	const AlignmentResult &	res,
		double	beta = `0.95`
	)

Returns the combined shape + color aligned-normalized Tversky score of res.

Parameters

res	The alignment result.
beta	The aligned-side Tversky weighting factor.

Returns: The aligned-normalized Tversky combo score (sum of shape and color aligned-Tversky scores).

◆ calcQuadrupoleTensorEigenDecomposition()

CDPL_SHAPE_API void CDPL::Shape::calcQuadrupoleTensorEigenDecomposition	(	const Math::Matrix3D &	quad_tensor,
		Math::Matrix3D &	eigen_vecs,
		Math::Vector3D &	eigen_vals
	)

Calculates the eigen-decomposition of a 3x3 quadrupole tensor.

Parameters

quad_tensor	The input symmetric quadrupole tensor.
eigen_vecs	The output eigenvector matrix (columns are eigenvectors).
eigen_vals	The output eigenvalues.

◆ calcPrincipalAxes()

CDPL_SHAPE_API void CDPL::Shape::calcPrincipalAxes	(	const Math::Matrix3D &	quad_tensor,
		Math::Vector3D &	x_axis,
		Math::Vector3D &	y_axis,
		Math::Vector3D &	z_axis,
		Math::Vector3D &	moments
	)

Calculates the principal axes and principal moments of a quadrupole tensor.

Parameters

quad_tensor	The input symmetric quadrupole tensor.
x_axis	The output principal x-axis.
y_axis	The output principal y-axis.
z_axis	The output principal z-axis.
moments	The output principal moments.

◆ perceiveSymmetryClass()

CDPL_SHAPE_API unsigned int CDPL::Shape::perceiveSymmetryClass	(	const Math::Vector3D &	moments,
		double	eq_thresh = `0.15`
	)

Classifies the rotational symmetry of a shape from its principal moments (see namespace Shape::SymmetryClass).

Parameters

moments	The principal moments.
eq_thresh	The relative threshold below which two moments are considered equal.

Returns: The perceived symmetry class.

◆ calcCenterAlignmentTransforms()

CDPL_SHAPE_API unsigned int CDPL::Shape::calcCenterAlignmentTransforms	(	const Shape::GaussianShapeFunction &	func,
		Math::Matrix4D &	to_ctr_xform,
		Math::Matrix4D &	from_ctr_xform,
		double	mom_eq_thresh = `0.15`
	)

Calculates the affine transformations that align a Gaussian shape to its center of mass and back.

Parameters

func	The Gaussian shape function.
to_ctr_xform	The output transformation that places the shape at its center of mass with principal axes aligned to the coordinate axes.
from_ctr_xform	The output inverse transformation.
mom_eq_thresh	The relative threshold below which two principal moments are considered equal.

Returns: The perceived symmetry class of the shape (see namespace Shape::SymmetryClass).

◆ matrixToQuaternion()

CDPL_SHAPE_API void CDPL::Shape::matrixToQuaternion	(	const Math::Matrix4D &	mtx,
		QuaternionTransformation &	quat
	)

Converts an affine 4x4 transformation matrix to a quaternion-plus-translation representation.

Parameters

mtx	The input transformation matrix.
quat	The output Shape::QuaternionTransformation (4 quaternion + 3 translation components).

◆ quaternionToMatrix()

CDPL_SHAPE_API void CDPL::Shape::quaternionToMatrix	(	const QuaternionTransformation &	quat,
		Math::Matrix4D &	mtx
	)

Converts a quaternion-plus-translation representation back to an affine 4x4 transformation matrix.

Parameters

quat	The input Shape::QuaternionTransformation (4 quaternion + 3 translation components).
mtx	The output transformation matrix.

Namespaces

Classes

Typedefs

Functions

Detailed Description

Typedef Documentation

◆ QuaternionTransformation

Function Documentation

◆ generateGaussianShape() [1/3]

◆ generateGaussianShape() [2/3]

◆ generateGaussianShape() [3/3]

◆ transform()

◆ centerAndAlignPrincipalAxes()

◆ calcTotalOverlapTanimotoScore()

◆ calcShapeTanimotoScore()

◆ calcColorTanimotoScore()

◆ calcTanimotoComboScore()

◆ calcTotalOverlapTverskyScore()

◆ calcShapeTverskyScore()

◆ calcColorTverskyScore()

◆ calcTverskyComboScore()

◆ calcReferenceTotalOverlapTverskyScore()

◆ calcReferenceShapeTverskyScore()

◆ calcReferenceColorTverskyScore()

◆ calcReferenceTverskyComboScore()

◆ calcAlignedTotalOverlapTverskyScore()

◆ calcAlignedShapeTverskyScore()

◆ calcAlignedColorTverskyScore()

◆ calcAlignedTverskyComboScore()

◆ calcQuadrupoleTensorEigenDecomposition()

◆ calcPrincipalAxes()

◆ perceiveSymmetryClass()

◆ calcCenterAlignmentTransforms()

◆ matrixToQuaternion()

◆ quaternionToMatrix()