#include <gromacs/math/include/gromacs/math/densityfit.h>

Description

Measure similarity and gradient between densities.

Public Types
using	density = basic_mdspan< const float, dynamicExtents3D >
	a three-dimensional const view into density data

Public Member Functions
	DensitySimilarityMeasure (DensitySimilarityMeasureMethod method, density referenceDensity)
	Chose comparison method and set reference density. More...

	DensitySimilarityMeasure (const DensitySimilarityMeasure &other)
	Copy constructor.

DensitySimilarityMeasure &	operator= (const DensitySimilarityMeasure &other)
	Copy assignment.

	DensitySimilarityMeasure (DensitySimilarityMeasure &&other) noexcept
	Move constructor.

DensitySimilarityMeasure &	operator= (DensitySimilarityMeasure &&other) noexcept
	Move assignment.

density	gradient (density comparedDensity)
	Derivative of the density similarity measure at all voxels. More...

real	similarity (density comparedDensity)
	Similarity between reference and compared density. More...

Constructor & Destructor Documentation

gmx::DensitySimilarityMeasure::DensitySimilarityMeasure	(	DensitySimilarityMeasureMethod	method,
		density	referenceDensity
	)

Chose comparison method and set reference density.

Parameters

[in]	method	defines how densities are compared to one another
[in]	referenceDensity

Exceptions

NotImplementedError if method is not known

DensitySimilarityMeasure::density gmx::DensitySimilarityMeasure::gradient ( density comparedDensity )

Derivative of the density similarity measure at all voxels.

Parameters

[in] comparedDensity the variable density

real gmx::DensitySimilarityMeasure::similarity ( density comparedDensity )

Similarity between reference and compared density.

Parameters

[in] comparedDensity the variable density

The documentation for this class was generated from the following files: