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