/* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator https://www.lammps.org/, Sandia National Laboratories LAMMPS Development team: developers@lammps.org 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 "../testing/core.h" #include "../testing/systems/melt.h" #include "../testing/utils.h" #include "fmt/format.h" #include "utils.h" #include "gmock/gmock.h" #include "gtest/gtest.h" using ::testing::Eq; bool verbose = false; namespace LAMMPS_NS { class DumpCfgTest : public MeltTest { std::string dump_style = "cfg"; public: void generate_dump(const std::string &dump_file, const std::string &fields, const std::string &dump_modify_options, int ntimesteps) { BEGIN_HIDE_OUTPUT(); command(fmt::format("dump id all {} 1 {} {}", dump_style, dump_file, fields)); if (!dump_modify_options.empty()) { command(fmt::format("dump_modify id {}", dump_modify_options)); } command(fmt::format("run {}", ntimesteps)); END_HIDE_OUTPUT(); } }; TEST_F(DumpCfgTest, invalid_options) { TEST_FAILURE(".*Dump cfg arguments must start with 'mass type xs ys zs'.*", command("dump id all cfg 1 dump.cfg id type proc procp1 mass x y z");); } TEST_F(DumpCfgTest, require_multifile) { auto dump_file = "dump.melt.cfg_run.cfg"; auto fields = "mass type xs ys zs id proc procp1 x y z ix iy iz xu yu zu xsu ysu zsu vx vy vz fx fy fz"; BEGIN_HIDE_OUTPUT(); command(fmt::format("dump id all cfg 1 {} {}", dump_file, fields)); END_HIDE_OUTPUT(); TEST_FAILURE(".*Dump cfg requires one snapshot per file.*", command("run 0");); } TEST_F(DumpCfgTest, run0) { auto dump_file = "dump_cfg_run*.melt.cfg"; auto fields = "mass type xs ys zs id proc procp1 x y z ix iy iz vx vy vz fx fy fz"; generate_dump(dump_file, fields, "", 0); ASSERT_FILE_EXISTS("dump_cfg_run0.melt.cfg"); auto lines = read_lines("dump_cfg_run0.melt.cfg"); ASSERT_EQ(lines.size(), 124); ASSERT_THAT(lines[0], Eq("Number of particles = 32")); delete_file("dump_cfg_run0.melt.cfg"); } TEST_F(DumpCfgTest, write_dump) { auto dump_file = "dump_cfg_run*.melt.cfg"; auto fields = "mass type xs ys zs id proc procp1 x y z ix iy iz vx vy vz fx fy fz"; BEGIN_HIDE_OUTPUT(); command("run 0 post no"); command(std::string("write_dump all cfg dump_cfg.melt.cfg ") + fields); command(std::string("write_dump all cfg dump_cfg*.melt.cfg ") + fields); END_HIDE_OUTPUT(); ASSERT_FILE_EXISTS("dump_cfg.melt.cfg"); auto lines = read_lines("dump_cfg.melt.cfg"); ASSERT_EQ(lines.size(), 124); ASSERT_THAT(lines[0], Eq("Number of particles = 32")); delete_file("dump_cfg.melt.cfg"); ASSERT_FILE_EXISTS("dump_cfg0.melt.cfg"); lines = read_lines("dump_cfg0.melt.cfg"); ASSERT_EQ(lines.size(), 124); ASSERT_THAT(lines[0], Eq("Number of particles = 32")); delete_file("dump_cfg0.melt.cfg"); TEST_FAILURE(".*ERROR: Unrecognized dump style 'xxx'.*", command("write_dump all xxx test.xxx");); } TEST_F(DumpCfgTest, unwrap_run0) { auto dump_file = "dump_cfg_unwrap_run*.melt.cfg"; auto fields = "mass type xsu ysu zsu id proc procp1 x y z ix iy iz vx vy vz fx fy fz"; generate_dump(dump_file, fields, "", 0); ASSERT_FILE_EXISTS("dump_cfg_unwrap_run0.melt.cfg"); auto lines = read_lines("dump_cfg_unwrap_run0.melt.cfg"); ASSERT_EQ(lines.size(), 124); ASSERT_THAT(lines[0], Eq("Number of particles = 32")); delete_file("dump_cfg_unwrap_run0.melt.cfg"); } TEST_F(DumpCfgTest, no_buffer_run0) { auto dump_file = "dump_cfg_no_buffer_run*.melt.cfg"; auto fields = "mass type xsu ysu zsu id proc procp1 x y z ix iy iz vx vy vz fx fy fz"; generate_dump(dump_file, fields, "buffer no", 0); ASSERT_FILE_EXISTS("dump_cfg_no_buffer_run0.melt.cfg"); auto lines = read_lines("dump_cfg_no_buffer_run0.melt.cfg"); ASSERT_EQ(lines.size(), 124); ASSERT_THAT(lines[0], Eq("Number of particles = 32")); delete_file("dump_cfg_no_buffer_run0.melt.cfg"); } TEST_F(DumpCfgTest, no_unwrap_no_buffer_run0) { auto dump_file = "dump_cfg_no_unwrap_no_buffer_run*.melt.cfg"; auto fields = "mass type xs ys zs id proc procp1 x y z ix iy iz vx vy vz fx fy fz"; generate_dump(dump_file, fields, "buffer no", 0); ASSERT_FILE_EXISTS("dump_cfg_no_unwrap_no_buffer_run0.melt.cfg"); auto lines = read_lines("dump_cfg_no_unwrap_no_buffer_run0.melt.cfg"); ASSERT_EQ(lines.size(), 124); ASSERT_THAT(lines[0], Eq("Number of particles = 32")); delete_file("dump_cfg_no_unwrap_no_buffer_run0.melt.cfg"); } } // 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 = LAMMPS_NS::utils::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; }