msd.cpp File Reference

#include "gmxpre.h"
#include "gromacs/trajectoryanalysis/modules/msd.h"
#include <filesystem>
#include <memory>
#include <regex>
#include <string>
#include <utility>
#include <vector>
#include <gromacs/commandline/cmdlineoptionsmodule.h>
#include <gromacs/trajectoryanalysis/cmdlinerunner.h>
#include <gtest/gtest.h>
#include "gromacs/gmxpreprocess/grompp.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/exceptions.h"
#include "gromacs/utility/path.h"
#include "gromacs/utility/stringutil.h"
#include "gromacs/utility/textstream.h"
#include "gromacs/utility/textwriter.h"
#include "testutils/cmdlinetest.h"
#include "testutils/refdata.h"
#include "testutils/testasserts.h"
#include "testutils/testfilemanager.h"
#include "testutils/textblockmatchers.h"
#include "moduletest.h"

Include dependency graph for msd.cpp:

Description

Tests for functionality of the "msd" trajectory analysis module.

Author

Kevin Boyd kevin.nosp@m.44bo.nosp@m.yd@gm.nosp@m.ail..nosp@m.com

Classes
class	gmx::test::anonymous_namespace{msd.cpp}::MsdMatcher
	MsdMatcher is effectively an extension of XvgMatcher for gmx msd results. More...

Functions
bool	gmx::test::anonymous_namespace{msd.cpp}::isRelevantXvgHeader (const std::string &line)
	Returns whether or not we care about a header line in an xvg file, for matching purposes. More...
void	gmx::test::anonymous_namespace{msd.cpp}::checkXvgDataPoint (TestReferenceChecker *checker, const std::string &value)
	Helper function to check a single xvg value in a sequence.
void	gmx::test::anonymous_namespace{msd.cpp}::checkDiffusionCoefficientDataPoint (TestReferenceChecker *checker, const std::string &value)