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updategroups.cpp File Reference
#include "gmxpre.h"
#include "gromacs/mdlib/updategroups.h"
#include <gtest/gtest.h>
#include "gromacs/topology/topology.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

Functions

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