/* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator https://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 "../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; char *BINARY2TXT_BINARY = nullptr; class DumpCustomTest : public MeltTest { std::string dump_style = "custom"; public: void enable_triclinic() { if (!verbose) ::testing::internal::CaptureStdout(); command("change_box all triclinic"); if (!verbose) ::testing::internal::GetCapturedStdout(); } void generate_dump(std::string dump_file, std::string fields, std::string dump_modify_options, int ntimesteps) { if (!verbose) ::testing::internal::CaptureStdout(); 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)); if (!verbose) ::testing::internal::GetCapturedStdout(); } void generate_text_and_binary_dump(std::string text_file, std::string binary_file, std::string fields, std::string dump_modify_options, int ntimesteps) { if (!verbose) ::testing::internal::CaptureStdout(); command(fmt::format("dump id0 all {} 1 {} {}", dump_style, text_file, fields)); command(fmt::format("dump id1 all {} 1 {} {}", dump_style, binary_file, fields)); if (!dump_modify_options.empty()) { command(fmt::format("dump_modify id0 {}", dump_modify_options)); command(fmt::format("dump_modify id1 {}", dump_modify_options)); } command(fmt::format("run {}", ntimesteps)); if (!verbose) ::testing::internal::GetCapturedStdout(); } std::string convert_binary_to_text(std::string binary_file) { if (!verbose) ::testing::internal::CaptureStdout(); std::string cmdline = fmt::format("{} {}", BINARY2TXT_BINARY, binary_file); system(cmdline.c_str()); if (!verbose) ::testing::internal::GetCapturedStdout(); return fmt::format("{}.txt", binary_file); } }; TEST_F(DumpCustomTest, run1) { auto dump_file = "dump_custom_run1.melt"; auto fields = "id type proc procp1 mass x y z ix iy iz xs ys zs xu yu zu xsu ysu zsu vx vy vz fx fy fz"; generate_dump(dump_file, fields, "units yes", 1); ASSERT_FILE_EXISTS(dump_file); auto lines = read_lines(dump_file); ASSERT_EQ(lines.size(), 84); ASSERT_THAT(lines[6], Eq("ITEM: BOX BOUNDS pp pp pp")); ASSERT_EQ(utils::split_words(lines[7]).size(), 2); ASSERT_THAT(lines[10], Eq(fmt::format("ITEM: ATOMS {}", fields))); ASSERT_EQ(utils::split_words(lines[11]).size(), 26); delete_file(dump_file); } TEST_F(DumpCustomTest, thresh_run0) { auto dump_file = "dump_custom_thresh_run0.melt"; auto fields = "id type x y z"; generate_dump(dump_file, fields, "units yes thresh x < 1 thresh y < 1 thresh z < 1", 0); ASSERT_FILE_EXISTS(dump_file); auto lines = read_lines(dump_file); ASSERT_EQ(lines.size(), 15); ASSERT_THAT(lines[6], Eq("ITEM: BOX BOUNDS pp pp pp")); ASSERT_EQ(utils::split_words(lines[7]).size(), 2); ASSERT_THAT(lines[10], Eq(fmt::format("ITEM: ATOMS {}", fields))); ASSERT_EQ(utils::split_words(lines[11]).size(), 5); delete_file(dump_file); } TEST_F(DumpCustomTest, compute_run0) { if (!verbose) ::testing::internal::CaptureStdout(); command("compute comp all property/atom x y z"); if (!verbose) ::testing::internal::GetCapturedStdout(); auto dump_file = "dump_custom_compute_run0.melt"; auto fields = "id type x y z c_comp[1] c_comp[2] c_comp[3]"; generate_dump(dump_file, fields, "units yes", 0); ASSERT_FILE_EXISTS(dump_file); auto lines = read_lines(dump_file); ASSERT_EQ(lines.size(), 43); ASSERT_THAT(lines[6], Eq("ITEM: BOX BOUNDS pp pp pp")); ASSERT_EQ(utils::split_words(lines[7]).size(), 2); ASSERT_THAT(lines[10], Eq(fmt::format("ITEM: ATOMS {}", fields))); ASSERT_EQ(utils::split_words(lines[11]).size(), 8); delete_file(dump_file); } TEST_F(DumpCustomTest, fix_run0) { if (!verbose) ::testing::internal::CaptureStdout(); command("fix numdiff all numdiff 1 0.0001"); if (!verbose) ::testing::internal::GetCapturedStdout(); auto dump_file = "dump_custom_compute_run0.melt"; auto fields = "id x y z f_numdiff[1] f_numdiff[2] f_numdiff[3]"; generate_dump(dump_file, fields, "units yes", 0); ASSERT_FILE_EXISTS(dump_file); auto lines = read_lines(dump_file); ASSERT_EQ(lines.size(), 43); ASSERT_THAT(lines[6], Eq("ITEM: BOX BOUNDS pp pp pp")); ASSERT_EQ(utils::split_words(lines[7]).size(), 2); ASSERT_THAT(lines[10], Eq(fmt::format("ITEM: ATOMS {}", fields))); ASSERT_EQ(utils::split_words(lines[11]).size(), 7); delete_file(dump_file); } TEST_F(DumpCustomTest, custom_run0) { if (!verbose) ::testing::internal::CaptureStdout(); command("fix prop all property/atom i_flag1 d_flag2"); command("compute 1 all property/atom i_flag1 d_flag2"); if (!verbose) ::testing::internal::GetCapturedStdout(); auto dump_file = "dump_custom_custom_run0.melt"; auto fields = "id x y z i_flag1 d_flag2"; generate_dump(dump_file, fields, "units yes", 0); ASSERT_FILE_EXISTS(dump_file); auto lines = read_lines(dump_file); ASSERT_EQ(lines.size(), 43); ASSERT_THAT(lines[6], Eq("ITEM: BOX BOUNDS pp pp pp")); ASSERT_EQ(utils::split_words(lines[7]).size(), 2); ASSERT_THAT(lines[10], Eq(fmt::format("ITEM: ATOMS {}", fields))); ASSERT_EQ(utils::split_words(lines[11]).size(), 6); delete_file(dump_file); } TEST_F(DumpCustomTest, binary_run1) { if (!BINARY2TXT_BINARY) GTEST_SKIP(); auto text_file = "dump_custom_text_run1.melt"; auto binary_file = "dump_custom_binary_run1.melt.bin"; auto fields = "id type proc x y z ix iy iz xs ys zs xu yu zu xsu ysu zsu vx vy vz fx fy fz"; generate_text_and_binary_dump(text_file, binary_file, fields, "units yes", 1); ASSERT_FILE_EXISTS(text_file); ASSERT_FILE_EXISTS(binary_file); auto converted_file = convert_binary_to_text(binary_file); ASSERT_FILE_EXISTS(converted_file); ASSERT_FILE_EQUAL(text_file, converted_file); delete_file(text_file); delete_file(binary_file); delete_file(converted_file); } TEST_F(DumpCustomTest, triclinic_run1) { auto dump_file = "dump_custom_tri_run1.melt"; auto fields = "id type proc x y z ix iy iz xs ys zs xu yu zu xsu ysu zsu vx vy vz fx fy fz"; enable_triclinic(); generate_dump(dump_file, fields, "units yes", 1); ASSERT_FILE_EXISTS(dump_file); auto lines = read_lines(dump_file); ASSERT_THAT(lines[6], Eq("ITEM: BOX BOUNDS xy xz yz pp pp pp")); ASSERT_EQ(utils::split_words(lines[7]).size(), 3); ASSERT_EQ(lines.size(), 84); delete_file(dump_file); } TEST_F(DumpCustomTest, binary_triclinic_run1) { if (!BINARY2TXT_BINARY) GTEST_SKIP(); auto text_file = "dump_custom_tri_text_run1.melt"; auto binary_file = "dump_custom_tri_binary_run1.melt.bin"; auto fields = "id type proc x y z xs ys zs xsu ysu zsu vx vy vz fx fy fz"; enable_triclinic(); generate_text_and_binary_dump(text_file, binary_file, fields, "units yes", 1); ASSERT_FILE_EXISTS(text_file); ASSERT_FILE_EXISTS(binary_file); auto converted_file = convert_binary_to_text(binary_file); ASSERT_FILE_EXISTS(converted_file); ASSERT_FILE_EQUAL(text_file, converted_file); delete_file(text_file); delete_file(binary_file); delete_file(converted_file); } TEST_F(DumpCustomTest, with_variable_run1) { if (!verbose) ::testing::internal::CaptureStdout(); command("compute 1 all property/atom proc"); command("variable p atom (c_1%10)+1"); if (!verbose) ::testing::internal::GetCapturedStdout(); auto dump_file = "dump_custom_with_variable_run1.melt"; auto fields = "id type x y z v_p"; generate_dump(dump_file, fields, "units yes", 1); ASSERT_FILE_EXISTS(dump_file); auto lines = read_lines(dump_file); ASSERT_EQ(lines.size(), 84); ASSERT_THAT(lines[6], Eq("ITEM: BOX BOUNDS pp pp pp")); ASSERT_EQ(utils::split_words(lines[7]).size(), 2); ASSERT_THAT(lines[10], Eq("ITEM: ATOMS id type x y z v_p")); ASSERT_EQ(utils::split_words(lines[11]).size(), 6); delete_file(dump_file); } 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 = utils::split_words(var); for (auto arg : env) { if (arg == "-v") { verbose = true; } } } BINARY2TXT_BINARY = getenv("BINARY2TXT_BINARY"); if ((argc > 1) && (strcmp(argv[1], "-v") == 0)) verbose = true; int rv = RUN_ALL_TESTS(); MPI_Finalize(); return rv; }