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mtop.cpp File Reference
#include "gmxpre.h"
#include <gtest/gtest.h>
#include "gromacs/topology/ifunc.h"
#include "gromacs/topology/mtop_atomloops.h"
#include "gromacs/topology/mtop_util.h"
#include "gromacs/topology/topology.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.