// unit tests for utils:: functions requiring a LAMMPS #include "error.h" #include "input.h" #include "lammps.h" #include "memory.h" #include "utils.h" #include "../testing/core.h" #include "gmock/gmock.h" #include "gtest/gtest.h" #include // whether to print verbose output (i.e. not capturing LAMMPS screen output). bool verbose = false; namespace LAMMPS_NS { class Advanced_utils : public LAMMPSTest { protected: Error *error; void SetUp() override { testbinary = "AdvancedUtils"; LAMMPSTest::SetUp(); error = lmp->error; } void atomic_system() { BEGIN_HIDE_OUTPUT(); command("units real"); command("lattice sc 1.0 origin 0.125 0.125 0.125"); command("region box block -2 2 -2 2 -2 2"); command("create_box 8 box"); command("create_atoms 1 box"); command("pair_style zero 3.5"); command("pair_coeff * *"); command("mass * 1.0"); command("region left block -2.0 -1.0 INF INF INF INF"); command("region right block 0.5 2.0 INF INF INF INF"); command("region top block INF INF -2.0 -1.0 INF INF"); command("set region left type 2"); command("set region right type 3"); END_HIDE_OUTPUT(); } }; TEST_F(Advanced_utils, missing_cmd_args) { auto output = CAPTURE_OUTPUT([&] { utils::missing_cmd_args(FLERR, "dummy", nullptr); }); EXPECT_EQ(output, ""); TEST_FAILURE("ERROR: Illegal dummy command: missing argument", utils::missing_cmd_args(FLERR, "dummy", error);); }; TEST_F(Advanced_utils, logmesg) { auto output = CAPTURE_OUTPUT([&] { utils::logmesg(lmp, "test message"); }); EXPECT_EQ(output, "test message"); output = CAPTURE_OUTPUT([&] { utils::logmesg(lmp, "test message from test {}", testbinary); }); EXPECT_EQ(output, "test message from test " + testbinary); }; // death tests only. the other cases are tested in the basic utils unit tester TEST_F(Advanced_utils, bounds_int_fail) { int nlo, nhi; TEST_FAILURE("ERROR: Invalid range string: 1x ", utils::bounds(FLERR, "1x", 1, 10, nlo, nhi, error);); TEST_FAILURE("ERROR: Invalid range string: -1 ", utils::bounds(FLERR, "-1", 1, 10, nlo, nhi, error);); TEST_FAILURE("ERROR: Invalid range string: \\+1 ", utils::bounds(FLERR, "+1", 1, 10, nlo, nhi, error);); TEST_FAILURE("ERROR: Invalid range string: 1:3 ", utils::bounds(FLERR, "1:3", 1, 10, nlo, nhi, error);); TEST_FAILURE("ERROR: Invalid range string: \\? ", utils::bounds(FLERR, "?", -10, 5, nlo, nhi, error);); TEST_FAILURE("ERROR: Invalid range string: 3\\*:2 ", utils::bounds(FLERR, "3*:2", -10, 5, nlo, nhi, error);); } TEST_F(Advanced_utils, bounds_bigint_fail) { bigint nlo, nhi; TEST_FAILURE("ERROR: Invalid range string: 1x ", utils::bounds(FLERR, "1x", 1, 10, nlo, nhi, error);); TEST_FAILURE("ERROR: Invalid range string: -1 ", utils::bounds(FLERR, "-1", 1, 10, nlo, nhi, error);); TEST_FAILURE("ERROR: Invalid range string: \\+1 ", utils::bounds(FLERR, "+1", 1, 10, nlo, nhi, error);); TEST_FAILURE("ERROR: Invalid range string: 1:3 ", utils::bounds(FLERR, "1:3", 1, 10, nlo, nhi, error);); TEST_FAILURE("ERROR: Invalid range string: \\? ", utils::bounds(FLERR, "?", -10, 5, nlo, nhi, error);); TEST_FAILURE("ERROR: Invalid range string: 3\\*:2 ", utils::bounds(FLERR, "3*:2", -10, 5, nlo, nhi, error);); } TEST_F(Advanced_utils, expand_args) { atomic_system(); BEGIN_CAPTURE_OUTPUT(); try { command("compute temp all temp"); command("variable temp vector c_temp"); command("variable step equal step"); command("variable pe equal pe"); command("variable pe equal pe"); command("variable epair equal epair"); command("compute gofr all rdf 20 1 1 1 2"); command("fix 1 all ave/time 1 1 1 v_step v_pe v_epair"); command("fix 2 all nve"); command("run 1 post no"); } catch (LAMMPSAbortException &ae) { fprintf(stderr, "LAMMPS Error: %s\n", ae.what()); exit(2); } catch (LAMMPSException &e) { fprintf(stderr, "LAMMPS Error: %s\n", e.what()); exit(3); } catch (fmt::format_error &fe) { fprintf(stderr, "fmt::format_error: %s\n", fe.what()); exit(4); } catch (std::exception &e) { fprintf(stderr, "General exception: %s\n", e.what()); exit(5); } auto output = END_CAPTURE_OUTPUT(); if (verbose) std::cout << output << std::endl; char **args, **earg; constexpr int oarg = 9; args = new char *[oarg]; args[0] = utils::strdup("v_step"); args[1] = utils::strdup("c_temp"); args[2] = utils::strdup("f_1[*]"); args[3] = utils::strdup("c_temp[2*4]"); args[4] = utils::strdup("v_temp[*4]"); args[5] = utils::strdup("c_gofr[3*]"); args[6] = utils::strdup("c_gofr[1][*]"); args[7] = utils::strdup("c_gofr[*2][2]"); args[8] = utils::strdup("c_gofr[*][*]"); // disable use of input->command and input->arg which point to the last run command right now lmp->input->command = nullptr; lmp->input->arg = nullptr; auto narg = utils::expand_args(FLERR, oarg, args, 0, earg, lmp); EXPECT_EQ(narg, 16); EXPECT_STREQ(earg[0], "v_step"); EXPECT_STREQ(earg[1], "c_temp"); EXPECT_STREQ(earg[2], "f_1[1]"); EXPECT_STREQ(earg[3], "f_1[2]"); EXPECT_STREQ(earg[4], "f_1[3]"); EXPECT_STREQ(earg[5], "c_temp[2]"); EXPECT_STREQ(earg[6], "c_temp[3]"); EXPECT_STREQ(earg[7], "c_temp[4]"); EXPECT_STREQ(earg[8], "v_temp[1]"); EXPECT_STREQ(earg[9], "v_temp[2]"); EXPECT_STREQ(earg[10], "v_temp[3]"); EXPECT_STREQ(earg[11], "v_temp[4]"); EXPECT_STREQ(earg[12], "c_gofr[3*]"); EXPECT_STREQ(earg[13], "c_gofr[1][*]"); EXPECT_STREQ(earg[14], "c_gofr[*2][2]"); EXPECT_STREQ(earg[15], "c_gofr[*][*]"); for (int i = 0; i < narg; ++i) delete[] earg[i]; lmp->memory->sfree(earg); narg = utils::expand_args(FLERR, oarg, args, 1, earg, lmp); EXPECT_EQ(narg, 16); EXPECT_NE(args, earg); EXPECT_STREQ(earg[0], "v_step"); EXPECT_STREQ(earg[1], "c_temp"); EXPECT_STREQ(earg[2], "f_1[*]"); EXPECT_STREQ(earg[3], "c_temp[2*4]"); EXPECT_STREQ(earg[4], "v_temp[*4]"); EXPECT_STREQ(earg[5], "c_gofr[3]"); EXPECT_STREQ(earg[6], "c_gofr[4]"); EXPECT_STREQ(earg[7], "c_gofr[5]"); EXPECT_STREQ(earg[8], "c_gofr[1][*]"); EXPECT_STREQ(earg[9], "c_gofr[1][2]"); EXPECT_STREQ(earg[10], "c_gofr[2][2]"); EXPECT_STREQ(earg[11], "c_gofr[1][*]"); EXPECT_STREQ(earg[12], "c_gofr[2][*]"); EXPECT_STREQ(earg[13], "c_gofr[3][*]"); EXPECT_STREQ(earg[14], "c_gofr[4][*]"); EXPECT_STREQ(earg[15], "c_gofr[5][*]"); for (int i = 0; i < narg; ++i) delete[] earg[i]; lmp->memory->sfree(earg); args[3][9] = '9'; TEST_FAILURE("ERROR: Numeric index 9 is out of bounds \\(1-6\\).*", utils::expand_args(FLERR, oarg, args, 0, earg, lmp);); args[3][9] = '4'; args[5][7] = '9'; TEST_FAILURE("ERROR: Numeric index 9 is out of bounds \\(1-5\\).*", utils::expand_args(FLERR, oarg, args, 1, earg, lmp);); args[5][7] = '3'; delete[] args[4]; args[4] = utils::strdup("v_temp[2*]"); TEST_FAILURE("ERROR: Upper bound required to expand vector style variable temp.*", utils::expand_args(FLERR, oarg, args, 0, earg, lmp);); delete[] args[4]; args[4] = utils::strdup("v_temp[*2]"); narg = utils::expand_args(FLERR, oarg, args, 0, earg, lmp); EXPECT_EQ(narg, 14); EXPECT_STREQ(earg[0], "v_step"); EXPECT_STREQ(earg[1], "c_temp"); EXPECT_STREQ(earg[2], "f_1[1]"); EXPECT_STREQ(earg[3], "f_1[2]"); EXPECT_STREQ(earg[4], "f_1[3]"); EXPECT_STREQ(earg[5], "c_temp[2]"); EXPECT_STREQ(earg[6], "c_temp[3]"); EXPECT_STREQ(earg[7], "c_temp[4]"); EXPECT_STREQ(earg[8], "v_temp[1]"); EXPECT_STREQ(earg[9], "v_temp[2]"); EXPECT_STREQ(earg[10], "c_gofr[3*]"); EXPECT_STREQ(earg[11], "c_gofr[1][*]"); EXPECT_STREQ(earg[12], "c_gofr[*2][2]"); EXPECT_STREQ(earg[13], "c_gofr[*][*]"); for (int i = 0; i < narg; ++i) delete[] earg[i]; lmp->memory->sfree(earg); for (int i = 0; i < oarg; ++i) delete[] args[i]; delete[] args; } } // 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; }