com.cpp File Reference

#include "gmxpre.h"
#include "gromacs/pbcutil/com.h"
#include <vector>
#include <gtest/gtest.h>
#include "gromacs/math/vectypes.h"
#include "gromacs/pbcutil/pbc.h"
#include "gromacs/topology/mtop_util.h"
#include "gromacs/topology/topology.h"
#include "testutils/refdata.h"
#include "testutils/testasserts.h"

Include dependency graph for com.cpp:

Description

Tests COM handling code.

Author

Paul Bauer paul..nosp@m.baue.nosp@m.r.q@g.nosp@m.mail.nosp@m..com

Classes
class	gmx::test::anonymous_namespace{com.cpp}::COMInPlaceTest
	Test fixture for checking correct molecule COM treatment. More...

Typedefs
using	gmx::test::anonymous_namespace{com.cpp}::COMInPlaceTestParams = std::tuple< UnitCellType, CenteringType, PbcType >

Functions
void	gmx::test::anonymous_namespace{com.cpp}::populateMoleculeType (gmx_moltype_t *moltype)
	Populates a molectype for generate a graph. More...
std::vector< RVec >	gmx::test::anonymous_namespace{com.cpp}::initialCoordinates ()
	Set up initial coordinates.