Gromacs  2019-beta2
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Classes | Files
Integration test utilities
+ Collaboration diagram for Integration test utilities:

Description

Functionality for testing mdrun as a whole.

Classes

class  gmx::test::SimulationRunner
 Helper object for running grompp and mdrun in integration tests of mdrun functionality. More...
 
class  gmx::test::MdrunTestFixtureBase
 Declares test fixture base class for integration tests of mdrun functionality. More...
 
class  gmx::test::MdrunTestFixture
 Declares test fixture class for integration tests of mdrun functionality that use a single call of mdrun. More...
 
class  gmx::test::MultiSimTest
 Test fixture for multi-sim functionality. More...
 
class  gmx::test::TerminationHelper
 Help test mdrun termination behaviour. More...
 

Files

file  energyframe.cpp
 Implementions of related classes for tests that want to inspect energies produced by mdrun.
 
file  compressed_x_output.cpp
 Tests for the mdrun -x functionality.
 
file  domain_decomposition.cpp
 Tests special cases in domain decomposition.
 
file  energycomparison.cpp
 Implementions of related classes for tests that want to inspect energies produced by mdrun.
 
file  energycomparison.h
 Declares function for comparing energy frames.
 
file  energyreader.cpp
 Implementions of related classes for tests that want to inspect energies produced by mdrun.
 
file  energyreader.h
 Interfaces of related classes for tests that want to inspect energies produced by mdrun.
 
file  grompp.cpp
 Tests for basic grompp functionality.
 
file  initialconstraints.cpp
 This implements basic initial constrains test (using single-rank mdrun)
 
file  interactiveMD.cpp
 Tests utilities for interactive molecular dynamics (IMD) setups.
 
file  mimic.cpp
 Tests for MiMiC forces computation.
 
file  minimize.cpp
 Tests for the energy minimization functionality.
 
file  moduletest.cpp
 Implements classes in moduletest.h.
 
file  moduletest.h
 Declares test fixtures for general mdrun functionality.
 
file  multisim.cpp
 Tests for the mdrun multi-simulation functionality.
 
file  multisimtest.cpp
 Tests for the mdrun multi-simulation functionality.
 
file  multisimtest.h
 Declares test fixture for the mdrun multi-simulation functionality.
 
file  pmetest.cpp
 This implements basic PME sanity tests. It runs the input system with PME for several steps (on CPU and GPU, if available), and checks the reciprocal and conserved energies. As part of mdrun-test, this will always run single rank PME simulation. As part of mdrun-mpi-test, this will run same as above when a single rank is requested, or a simulation with a single separate PME rank ("-npme 1") when multiple ranks are requested.
 
file  replicaexchange.cpp
 Tests for the mdrun replica-exchange functionality.
 
file  rerun.cpp
 Tests for the mdrun -rerun functionality.
 
file  simulationdatabase.cpp
 Implements declarations from in simulationdatabase.h.
 
file  swapcoords.cpp
 Tests utilities for "Computational Electrophysiology" setups.
 
file  tabulated_bonded_interactions.cpp
 Tests for tabulated bonded interactions.
 
file  termination.cpp
 Tests for the mdrun termination functionality.
 
file  terminationhelper.cpp
 Defines functionality used to test mdrun termination functionality under different conditions.
 
file  terminationhelper.h
 Declares functionality used to test mdrun termination functionality under different conditions.
 
file  tpitest.cpp
 This implements basic TPI sanity test. It runs the input system with TPI for several steps, and checks the log output.
 
file  trajectory_writing.cpp
 Tests for the .mdp nst*out functionality.
 
file  trajectorycomparison.cpp
 Implemention of functions for comparing trajectories produced by mdrun.
 
file  trajectorycomparison.h
 Declares types and functions for comparing trajectories produced by mdrun.
 
file  trajectoryreader.cpp
 Implementions of related classes for tests that want to inspect trajectories produced by mdrun.
 
file  trajectoryreader.h
 Declares interface of a class for tests that want to inspect trajectories produced by mdrun.