/* ---------------------------------------------------------------------- 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 "fmt/format.h" #include "info.h" #include "input.h" #include "lammps.h" #include "modify.h" #include "utils.h" #include "gmock/gmock.h" #include "gtest/gtest.h" #include #include // whether to print verbose output (i.e. not capturing LAMMPS screen output). bool verbose = false; using LAMMPS_NS::utils::split_words; namespace LAMMPS_NS { using ::testing::ExitedWithCode; using ::testing::MatchesRegex; using ::testing::StrEq; #define TEST_FAILURE(...) \ if (Info::has_exceptions()) { \ ASSERT_ANY_THROW({__VA_ARGS__}); \ } else { \ ASSERT_DEATH({__VA_ARGS__}, ""); \ } class KimCommandsTest : public ::testing::Test { protected: LAMMPS *lmp; void SetUp() override { const char *args[] = {"KimCommandsTest", "-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(KimCommandsTest, kim_init) { if (!LAMMPS::is_installed_pkg("KIM")) GTEST_SKIP(); ::testing::internal::CaptureStdout(); lmp->input->one("kim_init LennardJones_Ar real"); ::testing::internal::GetCapturedStdout(); int ifix = lmp->modify->find_fix("KIM_MODEL_STORE"); ASSERT_GE(ifix, 0); ::testing::internal::CaptureStdout(); TEST_FAILURE(lmp->input->one("kim_init");); auto mesg = ::testing::internal::GetCapturedStdout(); ASSERT_THAT(mesg, MatchesRegex(".*ERROR: Illegal kim_init command.*")); ::testing::internal::CaptureStdout(); TEST_FAILURE(lmp->input->one("kim_init Unknown_Model real");); mesg = ::testing::internal::GetCapturedStdout(); ASSERT_THAT(mesg, MatchesRegex(".*ERROR: KIM Model name not found.*")); } TEST_F(KimCommandsTest, kim_interactions_ar) { if (!LAMMPS::is_installed_pkg("KIM")) GTEST_SKIP(); ::testing::internal::CaptureStdout(); lmp->input->one("kim_init LennardJones_Ar real"); lmp->input->one("lattice fcc 4.4300"); lmp->input->one("region box block 0 10 0 10 0 10"); lmp->input->one("create_box 1 box"); lmp->input->one("create_atoms 1 box"); lmp->input->one("kim_interactions Ar"); lmp->input->one("mass 1 39.95"); ::testing::internal::GetCapturedStdout(); int ifix = lmp->modify->find_fix("KIM_MODEL_STORE"); ASSERT_GE(ifix, 0); } } // namespace LAMMPS_NS int main(int argc, char **argv) { MPI_Init(&argc, &argv); ::testing::InitGoogleMock(&argc, argv); // handle arguments passed via environment variable if (const char *var = getenv("TEST_ARGS")) { std::vector env = split_words(var); for (auto arg : env) { if (arg == "-v") { verbose = true; } } } if ((argc > 1) && (strcmp(argv[1], "-v") == 0)) verbose = true; int rv = RUN_ALL_TESTS(); MPI_Finalize(); return rv; }