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periodicactions.cpp 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"
+ Include dependency graph for periodicactions.cpp:

Description

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

Typedefs

using gmx::test::anonymous_namespace{periodicactions.cpp}::PropagationParameters = MdpFieldValues
 Mdp parameters that determine the manner of simulation propagation.
 
using gmx::test::anonymous_namespace{periodicactions.cpp}::PeriodicOutputParameters = MdpFieldValues
 Mdp parameters that should only affect the observations, not the simulation propagation.
 
using gmx::test::anonymous_namespace{periodicactions.cpp}::OutputParameterGeneratorFunction ) = std::vector< PeriodicOutputParameters >(*)(
 Function type to produce sets of .mdp parameters for testing periodic output.
 

Functions

template<typename Reader , typename Comparator >
bool gmx::test::anonymous_namespace{periodicactions.cpp}::compareFrames (Reader referenceFrameReader, Reader testFrameReader, const Comparator &comparator)
 Compare the next frame returned by testFrameReader with the matching frame from referenceTestReader using comparator. More...
 
std::vector
< PeriodicOutputParameters > 
gmx::test::anonymous_namespace{periodicactions.cpp}::outputParameters ()
 Return vector of mdp parameter sets to test. More...
 
std::vector
< PropagationParameters > 
gmx::test::anonymous_namespace{periodicactions.cpp}::simplePropagationParameters ()
 Returns sets of simple simulation propagators.
 
std::vector
< PropagationParameters > 
gmx::test::anonymous_namespace{periodicactions.cpp}::propagationParametersWithCoupling ()
 Returns sets of simulation propagators including coupling. More...
 
std::vector
< PropagationParameters > 
gmx::test::anonymous_namespace{periodicactions.cpp}::propagationParametersWithConstraints ()
 Returns sets of simulation propagators including coupling. More...
 

Variables

PeriodicOutputParameters gmx::test::anonymous_namespace{periodicactions.cpp}::g_basicPeriodicOutputParameters
 Some common choices of periodic output mdp parameters to simplify defining values for the combinations under test. More...