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 (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.
void	runSecondMdrunWithNoAppend ()
	Check that the restart works without appending, 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