periodicactions.h File Reference

#include "gmxpre.h"
#include "config.h"
#include <tuple>
#include "gromacs/trajectory/energyframe.h"
#include "gromacs/utility/strconvert.h"
#include "gromacs/utility/stringutil.h"
#include "testutils/simulationdatabase.h"
#include "testutils/testasserts.h"
#include "energycomparison.h"
#include "energyreader.h"
#include "moduletest.h"

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Description

Interfaces of related classes for tests to verify that a simulator that only does some actions periodically produces the expected results.

Author

Mark Abraham mark..nosp@m.j.ab.nosp@m.raham.nosp@m.@gma.nosp@m.il.co.nosp@m.m

Classes
struct	gmx::test::ReferenceFileNames
	Helper type of output file names for the reference mdrun call. More...
class	gmx::test::PeriodicActionsTest
	Test fixture base for comparing a simulator with one that does everything every step. More...

Functions
std::vector < PeriodicOutputParameters >	gmx::test::outputParameters ()
	Return vector of mdp parameter sets to test. More...
std::vector < PropagationParameters >	gmx::test::simplePropagationParameters ()
	Returns sets of simple simulation propagators.
std::vector < PropagationParameters >	gmx::test::propagationParametersWithCoupling ()
	Returns sets of simulation propagators including coupling. More...
std::vector < PropagationParameters >	gmx::test::propagationParametersWithConstraints ()
	Returns sets of simulation propagators including coupling. More...