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Gromacs
2025.4
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#include "gmxpre.h"#include "periodicactions.h"#include "config.h"#include <initializer_list>#include <map>#include <utility>#include <gtest/gtest.h>#include "testutils/cmdlinetest.h"#include "programs/mdrun/tests/energycomparison.h"#include "programs/mdrun/tests/energyreader.h"#include "programs/mdrun/tests/moduletest.h"
Include dependency graph for periodicactions.cpp:Utility functions for tests to verify that a simulator that only does some actions periodically produces the expected results.
Typedefs | |
| using | gmx::test::PropagationParameters = MdpFieldValues |
| Mdp parameters that determine the manner of simulation propagation. | |
| using | gmx::test::PeriodicOutputParameters = MdpFieldValues |
| Mdp parameters that should only affect the observations, not the simulation propagation. | |
| using | gmx::test::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::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::outputParameters () |
| Return vector of mdp parameter sets to test. More... | |
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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... | |
Variables | |
| static PeriodicOutputParameters | gmx::test::g_basicPeriodicOutputParameters |
| Some common choices of periodic output mdp parameters to simplify defining values for the combinations under test. More... | |
1.8.5