constr.cpp File Reference

#include "gmxpre.h"
#include "config.h"
#include <assert.h>
#include <unordered_map>
#include <vector>
#include <gtest/gtest.h>
#include "gromacs/math/vec.h"
#include "gromacs/math/vectypes.h"
#include "gromacs/pbcutil/pbc.h"
#include "gromacs/utility/stringutil.h"
#include "testutils/testasserts.h"
#include "constrtestdata.h"
#include "constrtestrunners.h"

Include dependency graph for constr.cpp:

Description

SHAKE and LINCS tests.

Todo:

Better tests for virial are needed.

Tests for bigger systems to test threads synchronization, reduction, etc. on the GPU.

Tests for algorithms for derivatives.

Free-energy perturbation tests

Author

Artem Zhmurov zhmur.nosp@m.ov@g.nosp@m.mail..nosp@m.com

Classes
class	gmx::test::anonymous_namespace{constr.cpp}::ConstraintsTest
	Test fixture for constraints. More...

Typedefs
typedef std::tuple < std::string, std::string >	gmx::test::anonymous_namespace{constr.cpp}::ConstraintsTestParameters
	The two-dimensional parameter space for test. More...

Functions
std::vector< std::string >	gmx::test::anonymous_namespace{constr.cpp}::getRunnersNames ()
	Method that fills and returns runnersNames to the test macros.

Variables
std::vector< std::string >	gmx::test::anonymous_namespace{constr.cpp}::runnersNames
	Names of all availible runners.