diff --git a/unittest/formats/CMakeLists.txt b/unittest/formats/CMakeLists.txt index 848fc0b6c7..96b3abee62 100644 --- a/unittest/formats/CMakeLists.txt +++ b/unittest/formats/CMakeLists.txt @@ -1,8 +1,13 @@ + add_executable(test_potential_file_reader test_potential_file_reader.cpp) target_link_libraries(test_potential_file_reader PRIVATE lammps GTest::GMock GTest::GTest) add_test(NAME PotentialFileReader COMMAND test_potential_file_reader WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) set_tests_properties(PotentialFileReader PROPERTIES ENVIRONMENT "LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS_DIR}") +add_executable(test_atom_styles test_atom_styles.cpp) +target_link_libraries(test_atom_styles PRIVATE lammps GTest::GMock GTest::GTest) +add_test(NAME AtomStyles COMMAND test_atom_styles WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) + if (PKG_MANYBODY) add_executable(test_eim_potential_file_reader test_eim_potential_file_reader.cpp) target_link_libraries(test_eim_potential_file_reader PRIVATE lammps GTest::GMock GTest::GTest) diff --git a/unittest/formats/test_atom_styles.cpp b/unittest/formats/test_atom_styles.cpp new file mode 100644 index 0000000000..f927e336a4 --- /dev/null +++ b/unittest/formats/test_atom_styles.cpp @@ -0,0 +1,113 @@ +/* ---------------------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + http://lammps.sandia.gov, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. +------------------------------------------------------------------------- */ + +#include "atom.h" +#include "input.h" +#include "lammps.h" +#include "utils.h" +#include "gmock/gmock.h" +#include "gtest/gtest.h" + +#include +#include +#include + +// whether to print verbose output (i.e. not capturing LAMMPS screen output). +bool verbose = false; + +namespace LAMMPS_NS { +using ::testing::Eq; + +class AtomStyleTest : public ::testing::Test { +protected: + LAMMPS *lmp; + + void SetUp() override + { + const char *args[] = {"SimpleCommandsTest", "-log", "none", "-echo", "screen", "-nocite"}; + char **argv = (char **)args; + int argc = sizeof(args) / sizeof(char *); + if (!verbose) ::testing::internal::CaptureStdout(); + lmp = new LAMMPS(argc, argv, MPI_COMM_WORLD); + if (!verbose) ::testing::internal::GetCapturedStdout(); + } + + void TearDown() override + { + if (!verbose) ::testing::internal::CaptureStdout(); + delete lmp; + if (!verbose) ::testing::internal::GetCapturedStdout(); + } +}; + +TEST_F(AtomStyleTest, atomic) +{ + ASSERT_THAT(std::string(lmp->atom->atom_style), Eq("atomic")); + ASSERT_NE(lmp->atom->avec, nullptr); + ASSERT_EQ(lmp->atom->natoms, 0); + ASSERT_EQ(lmp->atom->nlocal, 0); + ASSERT_EQ(lmp->atom->nghost, 0); + ASSERT_EQ(lmp->atom->nmax, 1); + ASSERT_EQ(lmp->atom->tag_enable, 1); + ASSERT_EQ(lmp->atom->molecular, 0); + ASSERT_EQ(lmp->atom->nellipsoids, 0); + ASSERT_EQ(lmp->atom->nlines, 0); + ASSERT_EQ(lmp->atom->ntris, 0); + ASSERT_EQ(lmp->atom->nbodies, 0); + ASSERT_EQ(lmp->atom->nbonds, 0); + ASSERT_EQ(lmp->atom->nangles, 0); + ASSERT_EQ(lmp->atom->ndihedrals, 0); + ASSERT_EQ(lmp->atom->nimpropers, 0); + ASSERT_EQ(lmp->atom->ntypes, 0); + ASSERT_EQ(lmp->atom->nbondtypes, 0); + ASSERT_EQ(lmp->atom->nangletypes, 0); + ASSERT_EQ(lmp->atom->ndihedraltypes, 0); + ASSERT_EQ(lmp->atom->nimpropertypes, 0); + ASSERT_EQ(lmp->atom->bond_per_atom, 0); + ASSERT_EQ(lmp->atom->angle_per_atom, 0); + ASSERT_EQ(lmp->atom->dihedral_per_atom, 0); + ASSERT_EQ(lmp->atom->improper_per_atom, 0); + ASSERT_EQ(lmp->atom->extra_bond_per_atom, 0); + ASSERT_EQ(lmp->atom->extra_angle_per_atom, 0); + ASSERT_EQ(lmp->atom->extra_dihedral_per_atom, 0); + ASSERT_EQ(lmp->atom->extra_improper_per_atom, 0); + + ASSERT_EQ(lmp->atom->tag, nullptr); + ASSERT_EQ(lmp->atom->type, nullptr); + ASSERT_EQ(lmp->atom->mask, nullptr); + ASSERT_EQ(lmp->atom->image, nullptr); + ASSERT_EQ(lmp->atom->x, nullptr); + ASSERT_EQ(lmp->atom->v, nullptr); + ASSERT_EQ(lmp->atom->f, nullptr); + ASSERT_EQ(lmp->atom->rmass, nullptr); + ASSERT_EQ(lmp->atom->q, nullptr); + ASSERT_EQ(lmp->atom->mu, nullptr); + // ASSERT_NE(lmp->atom->,nullptr); + // ASSERT_EQ(lmp->atom->firstgroup, -1); + // ASSERT_EQ(lmp->atom->firstgroupname, nullptr); + + if (!verbose) ::testing::internal::CaptureStdout(); + lmp->input->one("atom_style charge"); + lmp->input->one("atom_style atomic"); + if (!verbose) ::testing::internal::GetCapturedStdout(); +} + +} // namespace LAMMPS_NS + +int main(int argc, char **argv) +{ + MPI_Init(&argc, &argv); + ::testing::InitGoogleMock(&argc, argv); + if ((argc > 1) && (strcmp(argv[1], "-v") == 0)) verbose = true; + return RUN_ALL_TESTS(); +}