// unit tests for checking LAMMPS configuration settings through the library interface #include "lammps.h" #include "library.h" #include "timer.h" #include #include "gmock/gmock.h" #include "gtest/gtest.h" #include "test_main.h" #define STRINGIFY(val) XSTR(val) #define XSTR(val) #val using ::testing::HasSubstr; using ::testing::StartsWith; using ::testing::StrEq; class LibraryConfig : public ::testing::Test { protected: void *lmp; std::string INPUT_DIR = STRINGIFY(TEST_INPUT_FOLDER); LibraryConfig(){}; ~LibraryConfig() override{}; void SetUp() override { const char *args[] = {"LAMMPS_test", "-log", "none", "-echo", "screen", "-nocite", "-var", "input_dir", STRINGIFY(TEST_INPUT_FOLDER)}; char **argv = (char **)args; int argc = sizeof(args) / sizeof(char *); ::testing::internal::CaptureStdout(); lmp = lammps_open_no_mpi(argc, argv, NULL); lammps_command(lmp, "fix charge all property/atom q ghost yes"); lammps_command(lmp, "region box block 0 1 0 1 0 1"); lammps_command(lmp, "create_box 1 box"); lammps_command(lmp, "group none empty"); std::string output = ::testing::internal::GetCapturedStdout(); if (verbose) std::cout << output; EXPECT_THAT(output, StartsWith("LAMMPS (")); } void TearDown() override { ::testing::internal::CaptureStdout(); lammps_close(lmp); std::string output = ::testing::internal::GetCapturedStdout(); EXPECT_THAT(output, HasSubstr("Total wall time:")); if (verbose) std::cout << output; lmp = nullptr; } }; TEST(LAMMPSConfig, package_count) { EXPECT_EQ(lammps_config_package_count(), NUM_LAMMPS_PACKAGES); }; TEST(LAMMPSConfig, has_package) { EXPECT_EQ(lammps_config_has_package("MANYBODY"), LAMMPS_HAS_MANYBODY); }; TEST(LAMMPSConfig, package_name) { char buf[128]; int numpkgs = lammps_config_package_count(); if (numpkgs > 0) { EXPECT_EQ(lammps_config_package_name(0, buf, 128), 1); EXPECT_EQ(lammps_config_package_name(numpkgs + 10, buf, 128), 0); EXPECT_THAT(buf, StrEq("")); } else { EXPECT_EQ(lammps_config_package_name(0, buf, 128), 1); EXPECT_THAT(buf, StrEq("")); } }; TEST_F(LibraryConfig, has_style) { EXPECT_EQ(lammps_has_style(lmp, "atom", "atomic"), 1); EXPECT_EQ(lammps_has_style(lmp, "compute", "temp"), 1); EXPECT_EQ(lammps_has_style(lmp, "fix", "nve"), 1); EXPECT_EQ(lammps_has_style(lmp, "pair", "lj/cut"), 1); EXPECT_EQ(lammps_has_style(lmp, "bond", "zero"), 1); EXPECT_EQ(lammps_has_style(lmp, "dump", "custom"), 1); EXPECT_EQ(lammps_has_style(lmp, "region", "sphere"), 1); EXPECT_EQ(lammps_has_style(lmp, "xxxxx", "lj/cut"), 0); EXPECT_EQ(lammps_has_style(lmp, "pair", "xxxxxx"), 0); #if LAMMPS_HAS_MANYBODY EXPECT_EQ(lammps_has_style(lmp, "pair", "sw"), 1); #else EXPECT_EQ(lammps_has_style(lmp, "pair", "sw"), 0); #endif }; TEST_F(LibraryConfig, style_count) { EXPECT_GT(lammps_style_count(lmp, "atom"), 1); EXPECT_GT(lammps_style_count(lmp, "bond"), 1); EXPECT_GT(lammps_style_count(lmp, "angle"), 1); EXPECT_GT(lammps_style_count(lmp, "dihedral"), 1); EXPECT_GT(lammps_style_count(lmp, "improper"), 1); EXPECT_GT(lammps_style_count(lmp, "pair"), 1); EXPECT_GE(lammps_style_count(lmp, "kspace"), 0); EXPECT_GT(lammps_style_count(lmp, "compute"), 1); EXPECT_GT(lammps_style_count(lmp, "fix"), 1); EXPECT_GT(lammps_style_count(lmp, "region"), 1); EXPECT_GT(lammps_style_count(lmp, "dump"), 1); EXPECT_GT(lammps_style_count(lmp, "integrate"), 1); EXPECT_GT(lammps_style_count(lmp, "minimize"), 1); }; TEST_F(LibraryConfig, style_name) { char buf[128]; int numstyles = lammps_style_count(lmp, "atom"); EXPECT_EQ(lammps_style_name(lmp, "atom", 0, buf, 128), 1); EXPECT_EQ(lammps_style_name(lmp, "atom", numstyles + 10, buf, 128), 0); EXPECT_THAT(buf, StrEq("")); }; TEST_F(LibraryConfig, has_id) { EXPECT_EQ(lammps_has_id(lmp, "compute", "thermo_temp"), 1); EXPECT_EQ(lammps_has_id(lmp, "compute", "thermo_press"), 1); EXPECT_EQ(lammps_has_id(lmp, "compute", "thermo_pe"), 1); EXPECT_EQ(lammps_has_id(lmp, "dump", "xxx"), 0); EXPECT_EQ(lammps_has_id(lmp, "fix", "charge"), 1); EXPECT_EQ(lammps_has_id(lmp, "fix", "xxx"), 0); EXPECT_EQ(lammps_has_id(lmp, "group", "all"), 1); EXPECT_EQ(lammps_has_id(lmp, "group", "none"), 1); EXPECT_EQ(lammps_has_id(lmp, "group", "xxx"), 0); EXPECT_EQ(lammps_has_id(lmp, "molecule", "xxx"), 0); EXPECT_EQ(lammps_has_id(lmp, "region", "box"), 1); EXPECT_EQ(lammps_has_id(lmp, "region", "xxx"), 0); EXPECT_EQ(lammps_has_id(lmp, "variable", "input_dir"), 1); EXPECT_EQ(lammps_has_id(lmp, "variable", "xxx"), 0); }; TEST_F(LibraryConfig, id_count) { EXPECT_EQ(lammps_id_count(lmp, "compute"), 3); EXPECT_EQ(lammps_id_count(lmp, "dump"), 0); EXPECT_EQ(lammps_id_count(lmp, "fix"), 1); EXPECT_EQ(lammps_id_count(lmp, "group"), 2); EXPECT_EQ(lammps_id_count(lmp, "molecule"), 0); EXPECT_EQ(lammps_id_count(lmp, "region"), 1); EXPECT_EQ(lammps_id_count(lmp, "variable"), 1); }; TEST_F(LibraryConfig, id_name) { const int bufsize = 128; char buf[bufsize]; EXPECT_EQ(lammps_id_name(lmp, "compute", 2, buf, bufsize), 1); EXPECT_THAT(buf, StrEq("thermo_pe")); EXPECT_EQ(lammps_id_name(lmp, "compute", 10, buf, bufsize), 0); EXPECT_THAT(buf, StrEq("")); EXPECT_EQ(lammps_id_name(lmp, "fix", 0, buf, bufsize), 1); EXPECT_THAT(buf, StrEq("charge")); EXPECT_EQ(lammps_id_name(lmp, "fix", 10, buf, bufsize), 0); EXPECT_THAT(buf, StrEq("")); EXPECT_EQ(lammps_id_name(lmp, "group", 0, buf, bufsize), 1); EXPECT_THAT(buf, StrEq("all")); EXPECT_EQ(lammps_id_name(lmp, "group", 1, buf, bufsize), 1); EXPECT_THAT(buf, StrEq("none")); EXPECT_EQ(lammps_id_name(lmp, "group", 10, buf, bufsize), 0); EXPECT_THAT(buf, StrEq("")); EXPECT_EQ(lammps_id_name(lmp, "region", 0, buf, bufsize), 1); EXPECT_THAT(buf, StrEq("box")); EXPECT_EQ(lammps_id_name(lmp, "region", 10, buf, bufsize), 0); EXPECT_THAT(buf, StrEq("")); EXPECT_EQ(lammps_id_name(lmp, "variable", 0, buf, bufsize), 1); EXPECT_THAT(buf, StrEq("input_dir")); EXPECT_EQ(lammps_id_name(lmp, "variable", 10, buf, bufsize), 0); EXPECT_THAT(buf, StrEq("")); }; TEST_F(LibraryConfig, is_running) { EXPECT_EQ(lammps_is_running(lmp), 0); } TEST_F(LibraryConfig, force_timeout) { LAMMPS_NS::Timer *timer = ((LAMMPS_NS::LAMMPS *)lmp)->timer; EXPECT_EQ(timer->is_timeout(), false); lammps_force_timeout(lmp); EXPECT_EQ(timer->is_timeout(), true); } TEST(LAMMPSConfig, exceptions) { EXPECT_EQ(lammps_config_has_exceptions(), LAMMPS_HAS_EXCEPTIONS); }; TEST(LAMMPSConfig, mpi_support) { EXPECT_EQ(lammps_config_has_mpi_support(), LAMMPS_HAS_MPI); }; TEST(LAMMPSConfig, png_support) { EXPECT_EQ(lammps_config_has_png_support(), LAMMPS_HAS_PNG); }; TEST(LAMMPSConfig, jpeg_support) { EXPECT_EQ(lammps_config_has_jpeg_support(), LAMMPS_HAS_JPEG); }; TEST(LAMMPSConfig, gzip_support) { EXPECT_EQ(lammps_config_has_gzip_support(), LAMMPS_HAS_GZIP); }; TEST(LAMMPSConfig, ffmpeg_support) { EXPECT_EQ(lammps_config_has_ffmpeg_support(), LAMMPS_HAS_FFMPEG); };