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.