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energycomparison.h File Reference
#include <string>
#include <unordered_map>
#include "testutils/testasserts.h"
#include "comparison_helpers.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, MaxNumFrames maxNumEnergyFrames)
 Check a subset of the energies found in an energy file against reference data. More...
 
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...