Gromacs
2019-rc1
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Test fixture for bonded interactions.
Public Member Functions | |
void | setupGrompp (const char *interaction) |
Execute the trajectory writing test. | |
CommandLine | setupMdrun () |
Prepare an mdrun caller. | |
void | checkMdrun () |
Check the output of mdrun. | |
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. | |