Gromacs  2020.4
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densityfit.cpp File Reference
#include "gmxpre.h"
#include "densityfit.h"
#include <algorithm>
#include <numeric>
#include "gromacs/math/multidimarray.h"
#include "gromacs/math/vec.h"
#include "gromacs/utility/exceptions.h"
+ Include dependency graph for densityfit.cpp:

Description

Implements density similarity measures and their derivatives.

Author
Christian Blau blau@.nosp@m.kth..nosp@m.se

Classes

class  gmx::anonymous_namespace{densityfit.cpp}::DensitySimilarityInnerProduct
 Implementation for DensitySimilarityInnerProduct. More...
 
class  gmx::anonymous_namespace{densityfit.cpp}::DensitySimilarityRelativeEntropy
 Implementation for DensitySimilarityRelativeEntropy. More...
 
struct  gmx::anonymous_namespace{densityfit.cpp}::CrossCorrelationEvaluationHelperValues
 Helper values for evaluating the cross correlation. More...
 
class  gmx::anonymous_namespace{densityfit.cpp}::CrossCorrelationGradientAtVoxel
 Calculate a single cross correlation gradient entry at a voxel. More...
 
class  gmx::anonymous_namespace{densityfit.cpp}::DensitySimilarityCrossCorrelation
 Implementation for DensitySimilarityCrossCorrelation. More...
 

Functions

real gmx::anonymous_namespace{densityfit.cpp}::relativeEntropyAtVoxel (real reference, real comparison)
 Calculate a single summand in the relative entropy sum.
 
real gmx::anonymous_namespace{densityfit.cpp}::relativeEntropyGradientAtVoxel (real reference, real comparison)
 Calculate a single relative entropy gradient entry at a voxel.
 
CrossCorrelationEvaluationHelperValues gmx::anonymous_namespace{densityfit.cpp}::evaluateHelperValues (DensitySimilarityMeasure::density reference, DensitySimilarityMeasure::density compared)
 Calculate helper values for the cross-correlation. More...