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replicaexchange_equivalence.cpp File Reference
#include "gmxpre.h"
#include "config.h"
#include <regex>
#include <gtest/gtest.h>
#include "gromacs/mdtypes/md_enums.h"
#include "gromacs/topology/ifunc.h"
#include "gromacs/utility/basenetwork.h"
#include "gromacs/utility/filestream.h"
#include "gromacs/utility/path.h"
#include "gromacs/utility/stringutil.h"
#include "testutils/refdata.h"
#include "testutils/testfilemanager.h"
#include "energycomparison.h"
#include "multisimtest.h"
#include "trajectorycomparison.h"
+ Include dependency graph for replicaexchange_equivalence.cpp:

Description

Equivalence tests for the mdrun replica-exchange functionality.

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

Classes

struct  gmx::test::PrintReplicaExchangeParametersToString
 Helper struct printing custom test name. More...
 

Typedefs

typedef MultiSimTest gmx::test::ReplicaExchangeTest
 Convenience typedef.
 

Functions

static std::string gmx::test::getReplicaExchangeOutputFromLogFile (const std::string &logFileName)
 Return replica exchange related output from logfile. More...