gmx::test::TerminationHelper Class Reference

#include <programs/mdrun/tests/terminationhelper.h>

Collaboration diagram for gmx::test::TerminationHelper:

Description

Help test mdrun termination behaviour.

This helper class provides re-usable code to ensure that some termination behaviour of mdrun works. It runs a simulation that stops after a very short -maxh time, writes a checkpoint, checks that the checkpoint exists, and then restarts with it (probably doing no MD steps in the restart).

Todo:

This approach is not very elegant, but "stuff doesn't segfault or give a fatal error" is a useful result. We can improve it when we can mock out more do_md() functionality. Before that, we'd probably prefer not to run this test case in per-patchset verification, but this is the best we can do for now.

Public Member Functions
	TerminationHelper (TestFileManager *fileManager, CommandLine *mdrunCaller, SimulationRunner *runner)
	Constructor.
void	runFirstMdrun (const std::string &expectedCptFileName)
	Do a short simulation, likely terminated by -maxh. More...
void	runSecondMdrun ()
	Check that the restart works, but don't do any more MD steps.

Protected Attributes
CommandLine *	mdrunCaller_
	Object to help call mdrun.
SimulationRunner *	runner_
	Object to coordinate running a simulation.

Member Function Documentation

void gmx::test::TerminationHelper::runFirstMdrun

(

const std::string &

expectedCptFileName

)

Do a short simulation, likely terminated by -maxh.

Parameters

[in]

expectedCptFileName

The name of the checkpoint file that mdrun will write (which has to be customizable, if we are testing a multi-simulation).

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

• src/programs/mdrun/tests/terminationhelper.h
• src/programs/mdrun/tests/terminationhelper.cpp