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List of all members | Public Member Functions | Static Public Member Functions | Static Public Attributes
gmx::test::anonymous_namespace{pmetest.cpp}::PmeTest Class Reference
+ Inheritance diagram for gmx::test::anonymous_namespace{pmetest.cpp}::PmeTest:
+ Collaboration diagram for gmx::test::anonymous_namespace{pmetest.cpp}::PmeTest:

Description

Test fixture for end-to-end execution of PME.

Public Member Functions

void checkEnergies (bool usePmeTuning) const
 Check the energies against the reference data.
 

Static Public Member Functions

static void SetUpTestSuite ()
 Runs grompp to prepare the tpr files that are reused in the tests.
 
static void TearDownTestSuite ()
 Cleans up the tpr files.
 
static MessageStringCollector getSkipMessagesIfNecessary (const CommandLine &commandLine)
 If the mdrun command line can't run on this build or hardware, we should mark it as skipped and describe why.
 
- 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.
 

Static Public Attributes

static EnumerationArray
< PmeTestFlavor, std::string > 
s_tprFileNames
 Names of tpr files built by grompp in SetUpTestSuite to run in tests.
 
static std::mutex s_mutexForTestFileManager
 Mutex to protect creation of the TestFileManager with thread-MPI.
 
static std::unique_ptr
< TestFileManager
s_testFileManager
 Manager needed in SetUpTestSuite to handle making tpr files.
 
static const std::string s_inputFile = "spc-and-methanol"
 Name of the system from the simulation database to use in SetupTestSuite.
 
- 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...
 

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.
 

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