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b2085f56d6478552110fcdcc5f16921b30a885b4
lammps/unittest/commands/test_simple_commands.cpp

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/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://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 "lammps.h"
#include "citeme.h"
#include "force.h"
#include "info.h"
#include "input.h"
#include "output.h"
#include "update.h"
#include "utils.h"
#include "fmt/format.h"
#include "gmock/gmock.h"
#include "gtest/gtest.h"
#include <cstdio>
#include <cstring>
#include <fstream>
#include <iostream>
#include <mpi.h>
// whether to print verbose output (i.e. not capturing LAMMPS screen output).
bool verbose = false;
#if defined(OMPI_MAJOR_VERSION)
const bool have_openmpi = true;
#else
const bool have_openmpi = false;
#endif
using LAMMPS_NS::utils::split_words;
namespace LAMMPS_NS {
using ::testing::ExitedWithCode;
using ::testing::MatchesRegex;
using ::testing::StrEq;
#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 (!have_openmpi) { \
::testing::internal::CaptureStdout(); \
ASSERT_DEATH({__VA_ARGS__}, ""); \
auto mesg = ::testing::internal::GetCapturedStdout(); \
ASSERT_THAT(mesg, MatchesRegex(errmsg)); \
} \
}
class SimpleCommandsTest : public ::testing::Test {
protected:
LAMMPS *lmp;
void SetUp() override
{
const char *args[] = {"SimpleCommandsTest", "-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);
if (!verbose) ::testing::internal::GetCapturedStdout();
}
void TearDown() override
{
if (!verbose) ::testing::internal::CaptureStdout();
delete lmp;
if (!verbose) ::testing::internal::GetCapturedStdout();
}
};
TEST_F(SimpleCommandsTest, UnknownCommand)
{
TEST_FAILURE(".*ERROR: Unknown command.*", lmp->input->one("XXX one two"););
}
TEST_F(SimpleCommandsTest, Echo)
{
ASSERT_EQ(lmp->input->echo_screen, 1);
ASSERT_EQ(lmp->input->echo_log, 0);
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("echo none");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_EQ(lmp->input->echo_screen, 0);
ASSERT_EQ(lmp->input->echo_log, 0);
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("echo both");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_EQ(lmp->input->echo_screen, 1);
ASSERT_EQ(lmp->input->echo_log, 1);
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("echo screen");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_EQ(lmp->input->echo_screen, 1);
ASSERT_EQ(lmp->input->echo_log, 0);
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("echo log");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_EQ(lmp->input->echo_screen, 0);
ASSERT_EQ(lmp->input->echo_log, 1);
TEST_FAILURE(".*ERROR: Illegal echo command.*", lmp->input->one("echo"););
TEST_FAILURE(".*ERROR: Illegal echo command.*", lmp->input->one("echo xxx"););
}
TEST_F(SimpleCommandsTest, Log)
{
ASSERT_EQ(lmp->logfile, nullptr);
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("log simple_command_test.log");
lmp->input->one("print 'test1'");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_NE(lmp->logfile, nullptr);
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("log none");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_EQ(lmp->logfile, nullptr);
std::string text;
std::ifstream in;
in.open("simple_command_test.log");
in >> text;
in.close();
ASSERT_THAT(text, StrEq("test1"));
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("log simple_command_test.log append");
lmp->input->one("print 'test2'");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_NE(lmp->logfile, nullptr);
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("log none");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_EQ(lmp->logfile, nullptr);
in.open("simple_command_test.log");
in >> text;
ASSERT_THAT(text, StrEq("test1"));
in >> text;
ASSERT_THAT(text, StrEq("test2"));
in.close();
remove("simple_command_test.log");
TEST_FAILURE(".*ERROR: Illegal log command.*", lmp->input->one("log"););
}
TEST_F(SimpleCommandsTest, Newton)
{
// default setting is "on" for both
ASSERT_EQ(lmp->force->newton_pair, 1);
ASSERT_EQ(lmp->force->newton_bond, 1);
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("newton off");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_EQ(lmp->force->newton_pair, 0);
ASSERT_EQ(lmp->force->newton_bond, 0);
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("newton on off");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_EQ(lmp->force->newton_pair, 1);
ASSERT_EQ(lmp->force->newton_bond, 0);
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("newton off on");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_EQ(lmp->force->newton_pair, 0);
ASSERT_EQ(lmp->force->newton_bond, 1);
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("newton on");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_EQ(lmp->force->newton_pair, 1);
ASSERT_EQ(lmp->force->newton_bond, 1);
}
TEST_F(SimpleCommandsTest, Quit)
{
::testing::internal::CaptureStdout();
lmp->input->one("echo none");
::testing::internal::GetCapturedStdout();
TEST_FAILURE(".*ERROR: Expected integer .*", lmp->input->one("quit xxx"););
// the following tests must be skipped with OpenMPI due to using threads
if (have_openmpi) GTEST_SKIP();
ASSERT_EXIT(lmp->input->one("quit"), ExitedWithCode(0), "");
ASSERT_EXIT(lmp->input->one("quit 9"), ExitedWithCode(9), "");
}
TEST_F(SimpleCommandsTest, ResetTimestep)
{
ASSERT_EQ(lmp->update->ntimestep, 0);
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("reset_timestep 10");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_EQ(lmp->update->ntimestep, 10);
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("reset_timestep 0");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_EQ(lmp->update->ntimestep, 0);
TEST_FAILURE(".*ERROR: Timestep must be >= 0.*", lmp->input->one("reset_timestep -10"););
TEST_FAILURE(".*ERROR: Illegal reset_timestep .*", lmp->input->one("reset_timestep"););
TEST_FAILURE(".*ERROR: Illegal reset_timestep .*", lmp->input->one("reset_timestep 10 10"););
TEST_FAILURE(".*ERROR: Expected integer .*", lmp->input->one("reset_timestep xxx"););
}
TEST_F(SimpleCommandsTest, Suffix)
{
ASSERT_EQ(lmp->suffix_enable, 0);
ASSERT_EQ(lmp->suffix, nullptr);
ASSERT_EQ(lmp->suffix2, nullptr);
TEST_FAILURE(".*ERROR: May only enable suffixes after defining one.*",
lmp->input->one("suffix on"););
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("suffix one");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_THAT(lmp->suffix, StrEq("one"));
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("suffix hybrid two three");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_THAT(lmp->suffix, StrEq("two"));
ASSERT_THAT(lmp->suffix2, StrEq("three"));
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("suffix four");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_THAT(lmp->suffix, StrEq("four"));
ASSERT_EQ(lmp->suffix2, nullptr);
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("suffix off");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_EQ(lmp->suffix_enable, 0);
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("suffix on");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_EQ(lmp->suffix_enable, 1);
TEST_FAILURE(".*ERROR: Illegal suffix command.*", lmp->input->one("suffix"););
TEST_FAILURE(".*ERROR: Illegal suffix command.*", lmp->input->one("suffix hybrid"););
TEST_FAILURE(".*ERROR: Illegal suffix command.*", lmp->input->one("suffix hybrid one"););
}
TEST_F(SimpleCommandsTest, Thermo)
{
ASSERT_EQ(lmp->output->thermo_every, 0);
ASSERT_EQ(lmp->output->var_thermo, nullptr);
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("thermo 2");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_EQ(lmp->output->thermo_every, 2);
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("variable step equal logfreq(10,3,10)");
lmp->input->one("thermo v_step");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_THAT(lmp->output->var_thermo, StrEq("step"));
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("thermo 10");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_EQ(lmp->output->thermo_every, 10);
ASSERT_EQ(lmp->output->var_thermo, nullptr);
TEST_FAILURE(".*ERROR: Illegal thermo command.*", lmp->input->one("thermo"););
TEST_FAILURE(".*ERROR: Illegal thermo command.*", lmp->input->one("thermo -1"););
TEST_FAILURE(".*ERROR: Expected integer.*", lmp->input->one("thermo xxx"););
}
TEST_F(SimpleCommandsTest, TimeStep)
{
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("timestep 1");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_EQ(lmp->update->dt, 1.0);
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("timestep 0.1");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_EQ(lmp->update->dt, 0.1);
// zero timestep is legal and works (atoms don't move)
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("timestep 0.0");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_EQ(lmp->update->dt, 0.0);
// negative timestep also creates a viable MD.
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("timestep -0.1");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_EQ(lmp->update->dt, -0.1);
TEST_FAILURE(".*ERROR: Illegal timestep command.*", lmp->input->one("timestep"););
TEST_FAILURE(".*ERROR: Expected floating point.*", lmp->input->one("timestep xxx"););
}
TEST_F(SimpleCommandsTest, Units)
{
const char *names[] = {"lj", "real", "metal", "si", "cgs", "electron", "micro", "nano"};
const double dt[] = {0.005, 1.0, 0.001, 1.0e-8, 1.0e-8, 0.001, 2.0, 0.00045};
std::size_t num = sizeof(names) / sizeof(const char *);
ASSERT_EQ(num, sizeof(dt) / sizeof(double));
ASSERT_THAT(lmp->update->unit_style, StrEq("lj"));
for (std::size_t i = 0; i < num; ++i) {
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one(fmt::format("units {}", names[i]));
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_THAT(lmp->update->unit_style, StrEq(names[i]));
ASSERT_EQ(lmp->update->dt, dt[i]);
}
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("clear");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_THAT(lmp->update->unit_style, StrEq("lj"));
TEST_FAILURE(".*ERROR: Illegal units command.*", lmp->input->one("units unknown"););
}
TEST_F(SimpleCommandsTest, Plugin)
{
#if defined(__APPLE__)
std::string loadfmt("plugin load {}plugin.dylib");
#else
std::string loadfmt("plugin load {}plugin.so");
#endif
::testing::internal::CaptureStdout();
lmp->input->one(fmt::format(loadfmt, "hello"));
auto text = ::testing::internal::GetCapturedStdout();
if (verbose) std::cout << text;
ASSERT_THAT(text, MatchesRegex(".*Loading plugin: Hello world command.*"));
::testing::internal::CaptureStdout();
lmp->input->one(fmt::format(loadfmt, "xxx"));
text = ::testing::internal::GetCapturedStdout();
if (verbose) std::cout << text;
ASSERT_THAT(text, MatchesRegex(".*Open of file xxx.* failed.*"));
::testing::internal::CaptureStdout();
lmp->input->one(fmt::format(loadfmt, "nve2"));
text = ::testing::internal::GetCapturedStdout();
if (verbose) std::cout << text;
ASSERT_THAT(text, MatchesRegex(".*Loading plugin: NVE2 variant fix style.*"));
::testing::internal::CaptureStdout();
lmp->input->one("plugin list");
text = ::testing::internal::GetCapturedStdout();
if (verbose) std::cout << text;
ASSERT_THAT(text, MatchesRegex(".*1: command style plugin hello"
".*2: fix style plugin nve2.*"));
::testing::internal::CaptureStdout();
lmp->input->one(fmt::format(loadfmt, "hello"));
text = ::testing::internal::GetCapturedStdout();
if (verbose) std::cout << text;
ASSERT_THAT(text, MatchesRegex(".*Ignoring load of command style hello: "
"must unload existing hello plugin.*"));
::testing::internal::CaptureStdout();
lmp->input->one("plugin unload command hello");
text = ::testing::internal::GetCapturedStdout();
if (verbose) std::cout << text;
ASSERT_THAT(text, MatchesRegex(".*Unloading command style hello.*"));
::testing::internal::CaptureStdout();
lmp->input->one("plugin unload pair nve2");
text = ::testing::internal::GetCapturedStdout();
if (verbose) std::cout << text;
ASSERT_THAT(text, MatchesRegex(".*Ignoring unload of pair style nve2: "
"not loaded from a plugin.*"));
::testing::internal::CaptureStdout();
lmp->input->one("plugin unload fix nve2");
text = ::testing::internal::GetCapturedStdout();
if (verbose) std::cout << text;
ASSERT_THAT(text, MatchesRegex(".*Unloading fix style nve2.*"));
::testing::internal::CaptureStdout();
lmp->input->one("plugin unload fix nve");
text = ::testing::internal::GetCapturedStdout();
if (verbose) std::cout << text;
ASSERT_THAT(text, MatchesRegex(".*Ignoring unload of fix style nve: "
"not loaded from a plugin.*"));
::testing::internal::CaptureStdout();
lmp->input->one("plugin list");
text = ::testing::internal::GetCapturedStdout();
if (verbose) std::cout << text;
ASSERT_THAT(text, MatchesRegex(".*Currently loaded plugins.*"));
}
TEST_F(SimpleCommandsTest, Shell)
{
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("shell putenv TEST_VARIABLE=simpletest");
if (!verbose) ::testing::internal::GetCapturedStdout();
char *test_var = getenv("TEST_VARIABLE");
ASSERT_NE(test_var, nullptr);
ASSERT_THAT(test_var, StrEq("simpletest"));
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("shell putenv TEST_VARIABLE=simpletest");
lmp->input->one("shell putenv TEST_VARIABLE2=simpletest2 OTHER_VARIABLE=2");
if (!verbose) ::testing::internal::GetCapturedStdout();
char *test_var2 = getenv("TEST_VARIABLE2");
char *other_var = getenv("OTHER_VARIABLE");
ASSERT_NE(test_var2, nullptr);
ASSERT_THAT(test_var2, StrEq("simpletest2"));
ASSERT_NE(other_var, nullptr);
ASSERT_THAT(other_var, StrEq("2"));
}
TEST_F(SimpleCommandsTest, CiteMe)
{
ASSERT_EQ(lmp->citeme, nullptr);
lmp->citeme = new LAMMPS_NS::CiteMe(lmp, CiteMe::TERSE, CiteMe::TERSE, nullptr);
::testing::internal::CaptureStdout();
lmp->citeme->add("test citation one:\n 1\n");
lmp->citeme->add("test citation two:\n 2\n");
lmp->citeme->add("test citation one:\n 1\n");
lmp->citeme->flush();
std::string text = ::testing::internal::GetCapturedStdout();
if (verbose) std::cout << text;
// find the two unique citations, but not the third
ASSERT_THAT(text, MatchesRegex(".*one.*two.*"));
ASSERT_THAT(text, Not(MatchesRegex(".*one.*two.*one.*")));
::testing::internal::CaptureStdout();
lmp->citeme->add("test citation one:\n 0\n");
lmp->citeme->add("test citation two:\n 2\n");
lmp->citeme->add("test citation three:\n 3\n");
lmp->citeme->flush();
text = ::testing::internal::GetCapturedStdout();
if (verbose) std::cout << text;
// find the forth (only differs in long citation) and sixth added citation
ASSERT_THAT(text, MatchesRegex(".*one.*three.*"));
ASSERT_THAT(text, Not(MatchesRegex(".*two.*")));
::testing::internal::CaptureStdout();
lmp->citeme->add("test citation one:\n 1\n");
lmp->citeme->add("test citation two:\n 2\n");
lmp->citeme->add("test citation one:\n 0\n");
lmp->citeme->add("test citation two:\n 2\n");
lmp->citeme->add("test citation three:\n 3\n");
lmp->citeme->flush();
text = ::testing::internal::GetCapturedStdout();
if (verbose) std::cout << text;
// no new citation. no CITE-CITE-CITE- lines
ASSERT_THAT(text, Not(MatchesRegex(".*CITE-CITE-CITE-CITE.*")));
}
} // namespace LAMMPS_NS
int main(int argc, char **argv)
{
MPI_Init(&argc, &argv);
::testing::InitGoogleMock(&argc, argv);
if (have_openmpi && !LAMMPS_NS::Info::has_exceptions())
std::cout << "Warning: using OpenMPI without exceptions. "
"Death tests will be skipped\n";
// handle arguments passed via environment variable
if (const char *var = getenv("TEST_ARGS")) {
std::vector<std::string> env = 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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