mtop.cpp File Reference

#include "gmxpre.h"
#include <array>
#include <initializer_list>
#include <memory>
#include <string>
#include <vector>
#include <gtest/gtest.h>
#include "gromacs/topology/atoms.h"
#include "gromacs/topology/forcefieldparameters.h"
#include "gromacs/topology/idef.h"
#include "gromacs/topology/ifunc.h"
#include "gromacs/topology/mtop_atomloops.h"
#include "gromacs/topology/mtop_util.h"
#include "gromacs/topology/topology.h"
#include "gromacs/utility/basedefinitions.h"
#include "gromacs/utility/range.h"
#include "gromacs/utility/smalloc.h"
#include "testutils/topologyhelpers.h"

Include dependency graph for mtop.cpp:

Description

Implements test of mtop routines.

Author

Mark Abraham mark..nosp@m.j.ab.nosp@m.raham.nosp@m.@gma.nosp@m.il.co.nosp@m.m

Functions
std::vector< gmx::Range< int > >	gmx::test::anonymous_namespace{mtop.cpp}::createTwoResidueTopology (gmx_mtop_t *mtop)
	Creates dummy topology with two differently sized residues. More...
void	gmx::test::anonymous_namespace{mtop.cpp}::addIntermolecularInteractionBonds (gmx_mtop_t *mtop)
	Adds intermolecular bonds, assuming atoms 0 to 5 exist.
void	gmx::test::anonymous_namespace{mtop.cpp}::addEthane (gmx_mtop_t *mtop)
	Add an ethane molecule with uniform charges on all atoms and states.