gmx::test::anonymous_namespace{expandedensemble.cpp}::ExpandedEnsembleTest Class Reference

Inheritance diagram for gmx::test::anonymous_namespace{expandedensemble.cpp}::ExpandedEnsembleTest:

Collaboration diagram for gmx::test::anonymous_namespace{expandedensemble.cpp}::ExpandedEnsembleTest:

Description

Test fixture for expanded ensemble continuations.

This test ensures mdrun can run an expanded-ensemble simulation, obtaining the histogram count from both .mdp fields or the checkpoint.

Static Public Member Functions
static double	incrementorDoesNotIncrease (const std::string &logFileContents, double lastValue, const int expectedNumMatches)
	Expects that the Wang-Landau incrementor will not increase.
static LambdaInformation	extractLambdaInformation (const std::size_t numLambdas, const std::string &logFileContents, std::size_t pos)
	Extract information from an MC-lambda table in the log file next following pos.
Static Public Member Functions inherited from gmx::test::MdrunTestFixtureBase
static void	SetUpTestSuite ()
	Per-test-case setup for lengthy processes that need run only once.
static void	TearDownTestSuite ()
	Per-test-case tear down.

Additional Inherited Members
Public Attributes inherited from gmx::test::MdrunTestFixture
TestFileManager	fileManager_
	Manages temporary files during the test.
SimulationRunner	runner_
	Helper object to manage the preparation for and call of mdrun.
Static Public Attributes inherited from gmx::test::MdrunTestFixtureBase
static MPI_Comm	s_communicator = MPI_COMM_NULL
	Communicator over which the test fixture works.
static std::unique_ptr < gmx_hw_info_t >	s_hwinfo
	Hardware information object. More...

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The documentation for this class was generated from the following file:

• src/programs/mdrun/tests/expandedensemble.cpp