updategroups.cpp File Reference

#include "gmxpre.h"
#include "gromacs/mdlib/updategroups.h"
#include <string>
#include <utility>
#include <variant>
#include <vector>
#include <gtest/gtest.h>
#include "gromacs/topology/block.h"
#include "gromacs/topology/forcefieldparameters.h"
#include "gromacs/topology/idef.h"
#include "gromacs/topology/ifunc.h"
#include "gromacs/topology/topology.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/logger.h"
#include "gromacs/utility/real.h"
#include "testutils/loggertest.h"
#include "testutils/testasserts.h"

Include dependency graph for updategroups.cpp:

Description

Tests for the update groups functionality.

Author

berk Hess hess@.nosp@m.kth..nosp@m.se

Classes
class	gmx::test::anonymous_namespace{updategroups.cpp}::UpdateGroupsTest
	Test fixture class. More...

Functions
gmx_moltype_t	gmx::test::anonymous_namespace{updategroups.cpp}::flexibleEthaneUA ()
	Returns a flexible ethane united-atom molecule.
gmx_moltype_t	gmx::test::anonymous_namespace{updategroups.cpp}::ethaneUA ()
	Returns an ethane united-atom molecule.
gmx_moltype_t	gmx::test::anonymous_namespace{updategroups.cpp}::methane ()
	Returns a methane molecule.
gmx_moltype_t	gmx::test::anonymous_namespace{updategroups.cpp}::ethane ()
	Returns an ethane molecule.
gmx_moltype_t	gmx::test::anonymous_namespace{updategroups.cpp}::butaneUA ()
	Returns a butane fully-constrained united-atom molecule.
gmx_moltype_t	gmx::test::anonymous_namespace{updategroups.cpp}::waterThreeSite ()
	Returns a three-site water molecule.
gmx_moltype_t	gmx::test::anonymous_namespace{updategroups.cpp}::waterFourSite ()
	Returns a four-site water molecule with virtual site.
gmx_moltype_t	gmx::test::anonymous_namespace{updategroups.cpp}::waterFlexAngle ()
	Returns a water molecule with flexible angle.