Gromacs
2022.3
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#include "gmxpre.h"
#include "gromacs/topology/mtop_util.h"
#include <gtest/gtest.h>
#include "gromacs/topology/ifunc.h"
Implements test of mtop routines.
Functions | |
void | gmx::anonymous_namespace{mtop.cpp}::addTwoWaterMolecules (gmx_mtop_t *mtop) |
Adds 2 water molecules with settles. | |
std::vector< gmx::Range< int > > | gmx::anonymous_namespace{mtop.cpp}::createTwoResidueTopology (gmx_mtop_t *mtop) |
Creates dummy topology with two differently sized residues. More... | |
void | gmx::anonymous_namespace{mtop.cpp}::addIntermolecularInteractionBonds (gmx_mtop_t *mtop) |
Adds intermolecular bonds, assuming atoms 0 to 5 exist. | |