Gromacs  2020.4
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Groups Pages
List of all members | Public Types | Public Member Functions
gmx::DensitySimilarityMeasure Class Reference

#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.
 
DensitySimilarityMeasureoperator= (const DensitySimilarityMeasure &other)
 Copy assignment.
 
 DensitySimilarityMeasure (DensitySimilarityMeasure &&other) noexcept
 Move constructor.
 
DensitySimilarityMeasureoperator= (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]methoddefines how densities are compared to one another
[in]referenceDensity
Exceptions
NotImplementedErrorif method is not known

Member Function Documentation

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

Derivative of the density similarity measure at all voxels.

Parameters
[in]comparedDensitythe variable density
Returns
density similarity measure derivative
real gmx::DensitySimilarityMeasure::similarity ( density  comparedDensity)

Similarity between reference and compared density.

Parameters
[in]comparedDensitythe variable density
Returns
density similarity

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