/* ---------------------------------------------------------------------- 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 "info.h" #include "input.h" #include "lammps.h" #include "utils.h" #include "gmock/gmock.h" #include "gtest/gtest.h" #include "fmt/format.h" #include "potential_file_reader.h" #include #include #include #include using namespace LAMMPS_NS; using ::testing::MatchesRegex; #define TEST_FAILURE(errmsg, ...) \ if (Info::has_exceptions()) { \ ::testing::internal::CaptureStdout(); \ ASSERT_ANY_THROW({__VA_ARGS__}); \ auto mesg = ::testing::internal::GetCapturedStdout(); \ ASSERT_THAT(mesg, MatchesRegex(errmsg)); \ } else { \ if (Info::get_mpi_vendor() != "Open MPI") { \ ::testing::internal::CaptureStdout(); \ ASSERT_DEATH({__VA_ARGS__}, ""); \ auto mesg = ::testing::internal::GetCapturedStdout(); \ ASSERT_THAT(mesg, MatchesRegex(errmsg)); \ } \ } // whether to print verbose output (i.e. not capturing LAMMPS screen output). bool verbose = false; char * BINARY2TXT_BINARY = nullptr; static void delete_file(const std::string &filename) { remove(filename.c_str()); } static size_t count_lines(const std::string &filename) { std::ifstream infile(filename); std::string line; size_t nlines = 0; while (std::getline(infile, line)) ++nlines; return nlines; } static bool equal_lines(const std::string &fileA, const std::string &fileB) { std::ifstream afile(fileA); std::ifstream bfile(fileB); std::string lineA, lineB; while (std::getline(afile, lineA)) { if(!std::getline(bfile, lineB)) return false; if(lineA != lineB) return false; } return true; } static std::vector read_lines(const std::string &filename) { std::vector lines; std::ifstream infile(filename); std::string line; while (std::getline(infile, line)) lines.push_back(line); return lines; } static bool file_exists(const std::string &filename) { struct stat result; return stat(filename.c_str(), &result) == 0; } #define ASSERT_FILE_EXISTS(NAME) ASSERT_TRUE(file_exists(NAME)) #define ASSERT_FILE_EQUAL(FILE_A, FILE_B) ASSERT_TRUE(equal_lines(FILE_A, FILE_B)) class LAMMPSTest : public ::testing::Test { public: void command(const std::string &line) { lmp->input->one(line.c_str()); } protected: const char * testbinary = "LAMMPSTest"; LAMMPS *lmp; void SetUp() override { const char *args[] = { testbinary, "-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); InitSystem(); if (!verbose) ::testing::internal::GetCapturedStdout(); } virtual void InitSystem() { } void TearDown() override { if (!verbose) ::testing::internal::CaptureStdout(); delete lmp; if (!verbose) ::testing::internal::GetCapturedStdout(); } }; class MeltTest : public LAMMPSTest { protected: virtual void InitSystem() override { command("units lj"); command("atom_style atomic"); command("lattice fcc 0.8442"); command("region box block 0 2 0 2 0 2"); command("create_box 1 box"); command("create_atoms 1 box"); command("mass 1 1.0"); command("velocity all create 3.0 87287"); command("pair_style lj/cut 2.5"); command("pair_coeff 1 1 1.0 1.0 2.5"); command("neighbor 0.3 bin"); command("neigh_modify every 20 delay 0 check no"); } }; class DumpCustomTest : public MeltTest { }; TEST_F(DumpCustomTest, run0) { auto dump_file = "dump_custom_run0.melt"; if (!verbose) ::testing::internal::CaptureStdout(); command(fmt::format("dump id all custom 1 {} id type x y vx fx", dump_file)); command("run 0"); if (!verbose) ::testing::internal::GetCapturedStdout(); ASSERT_FILE_EXISTS(dump_file); auto lines = read_lines(dump_file); ASSERT_EQ(lines.size(), 41); ASSERT_STREQ(lines[4].c_str(), "ITEM: BOX BOUNDS pp pp pp"); ASSERT_EQ(utils::split_words(lines[5]).size(), 2); ASSERT_STREQ(lines[8].c_str(), "ITEM: ATOMS id type x y vx fx"); ASSERT_EQ(utils::split_words(lines[9]).size(), 6); delete_file(dump_file); } TEST_F(DumpCustomTest, triclinic_run0) { auto dump_file = "dump_custom_tri_run0.melt"; if (!verbose) ::testing::internal::CaptureStdout(); command("change_box all triclinic"); command(fmt::format("dump id all custom 1 {} id type x y vx fx", dump_file)); command("run 0"); if (!verbose) ::testing::internal::GetCapturedStdout(); ASSERT_FILE_EXISTS(dump_file); auto lines = read_lines(dump_file); ASSERT_STREQ(lines[4].c_str(), "ITEM: BOX BOUNDS xy xz yz pp pp pp"); ASSERT_EQ(utils::split_words(lines[5]).size(), 3); ASSERT_EQ(lines.size(), 41); 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; }