densityfit.h File Reference

#include <memory>
#include "gromacs/mdspan/extensions.h"
#include "gromacs/utility/real.h"

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Description

Declares density similarity measures and their derivatives.

Author

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

Classes
class	gmx::ArrayRef< typename >
	STL-like interface to a C array of T (or part of a std container of T). More...
class	gmx::DensitySimilarityMeasure
	Measure similarity and gradient between densities. More...

Enumerations
enum	gmx::DensitySimilarityMeasureMethod : int { gmx::DensitySimilarityMeasureMethod::innerProduct, gmx::DensitySimilarityMeasureMethod::relativeEntropy, gmx::DensitySimilarityMeasureMethod::crossCorrelation, Count }
	The methods that determine how two densities are compared to one another. More...

Functions
void	gmx::normalizeSumPositiveValuesToUnity (ArrayRef< float > data)
	Divide all values of a view by a constant so that the sum of all its positive values is one. More...