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// 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 <string>
// 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*]");
narg = utils::expand_args(FLERR, oarg, args, 0, earg, lmp);
EXPECT_EQ(narg, 13);
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[2*]");
EXPECT_STREQ(earg[9], "c_gofr[3*]");
EXPECT_STREQ(earg[10], "c_gofr[1][*]");
EXPECT_STREQ(earg[11], "c_gofr[*2][2]");
EXPECT_STREQ(earg[12], "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<std::string> 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;
}
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