mshift.cpp File Reference

#include "gmxpre.h"
#include "gromacs/pbcutil/mshift.h"
#include <gtest/gtest.h>
#include "gromacs/pbcutil/pbc.h"
#include "gromacs/topology/topology.h"
#include "testutils/testasserts.h"
#include "testutils/testmatchers.h"

Include dependency graph for mshift.cpp:

Description

Tests for the graph functionality to make molecules whole that are broken over pbc.

Author

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

Functions
gmx_moltype_t	gmx::test::anonymous_namespace{mshift.cpp}::moleculeType ()
	Returns a molectype for generate a graph. More...
std::vector< RVec >	gmx::test::anonymous_namespace{mshift.cpp}::coordinates ()
	Coordinates for moleculeType() broken over PBC. More...
std::vector< RVec >	gmx::test::anonymous_namespace{mshift.cpp}::coordinatesWhole ()
	Coordinates for moleculeType() made whole. More...

Variables
constexpr matrix	gmx::test::anonymous_namespace{mshift.cpp}::c_box = { { 3, 0, 0 }, { 0, 3, 0 }, { 0, 0, 3 } }
	Box to go with coordinates()