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

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Description

Declares types and functions for comparing trajectories produced by mdrun.

Author: Mark Abraham mark..nosp@m.j.ab.nosp@m.raham.nosp@m.@gma.nosp@m.il.co.nosp@m.m; Pascal Merz pasca.nosp@m.l.me.nosp@m.rz@me.nosp@m..com

Classes
struct	gmx::test::TrajectoryTolerances
	Helper struct for testing different trajectory components with different tolerances. More...

struct	gmx::test::TrajectoryFrameMatchSettings
	Helper struct to specify the expected behaviour of compareFrames(). More...

class	gmx::test::TrajectoryComparison
	Function object to compare the fields of two frames vs each others or one frame vs reference data for equality given the `matchSettings_` and `tolerances_`. More...

Enumerations
enum	gmx::test::ComparisonConditions : int { CompareIfBothFound, NoComparison, MustCompare, CompareIfReferenceFound, CompareIfTestFound, Count }
	Enumeration controlling how data within trajectory frames are compared.

Functions

void	gmx::test::checkTrajectoryAgainstReferenceData (const std::string &trajectoryFilename, const TrajectoryComparison &trajectoryComparison, TestReferenceChecker *checker)
	Helper function comparing a trajectory to reference. More...

void	gmx::test::checkTrajectoryAgainstReferenceData (const std::string &trajectoryFilename, const TrajectoryComparison &trajectoryComparison, TestReferenceChecker *checker, MaxNumFrames maxNumFrames)

Classes