energycomparison.h File Reference

#include <string>
#include <unordered_map>
#include "testutils/testasserts.h"

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Description

Declares function for comparing energy frames.

Author

Mark Abraham mark..nosp@m.j.ab.nosp@m.raham.nosp@m.@gma.nosp@m.il.co.nosp@m.m

Classes
class	gmx::test::EnergyComparison
	Function object to compare all energy terms of reference with all matching terms from test within the given tolerances. More...

Typedefs
using	gmx::test::EnergyTermsToCompare = std::unordered_map< std::string, FloatingPointTolerance >
	Convenience type.

Functions
void	gmx::test::checkEnergiesAgainstReferenceData (const std::string &energyFilename, const EnergyTermsToCompare &energyTermsToCompare, TestReferenceChecker *checker)
	Check a subset of the energies found in an energy file against reference data. More...