nnpottopologypreprocessor.cpp File Reference

#include "gmxpre.h"
#include <filesystem>
#include <string>
#include <vector>
#include <gtest/gtest.h>
#include "gromacs/applied_forces/nnpot/nnpot.h"
#include "gromacs/applied_forces/nnpot/nnpotoptions.h"
#include "gromacs/domdec/localatomset.h"
#include "gromacs/fileio/confio.h"
#include "gromacs/fileio/warninp.h"
#include "gromacs/gmxpreprocess/grompp.h"
#include "gromacs/mdtypes/imdpoptionprovider_test_helper.h"
#include "gromacs/pbcutil/pbc.h"
#include "gromacs/selection/indexutil.h"
#include "gromacs/topology/index.h"
#include "gromacs/topology/mtop_lookup.h"
#include "gromacs/topology/mtop_util.h"
#include "gromacs/topology/topology.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/basedefinitions.h"
#include "gromacs/utility/keyvaluetree.h"
#include "gromacs/utility/keyvaluetreebuilder.h"
#include "gromacs/utility/logger.h"
#include "gromacs/utility/loggerbuilder.h"
#include "gromacs/utility/path.h"
#include "gromacs/utility/textwriter.h"
#include "gromacs/utility/vec.h"
#include "gromacs/utility/vectypes.h"
#include "testutils/cmdlinetest.h"
#include "testutils/loggertest.h"
#include "testutils/testasserts.h"
#include "testutils/testfilemanager.h"

Include dependency graph for nnpottopologypreprocessor.cpp:

Description

Tests for functionality of the NNPotTopologyPreprocessor. Adapted from qmmm/tests/qmmmtopologypreprocessor.cpp.

Author

Lukas Müllender lukas.nosp@m..mue.nosp@m.llend.nosp@m.er@g.nosp@m.mail..nosp@m.com

Classes
class	gmx::test::NNPotTopologyPreprocessorTest
	Test fixture for NNPotTopologyPreprocessor tests. More...