515 lines
19 KiB
C++
515 lines
19 KiB
C++
/* ----------------------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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https://lammps.sandia.gov/, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#include "lammps.h"
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#include "citeme.h"
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#include "force.h"
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#include "info.h"
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#include "input.h"
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#include "output.h"
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#include "update.h"
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#include "utils.h"
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#include "fmt/format.h"
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#include "gmock/gmock.h"
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#include "gtest/gtest.h"
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#include <cstdio>
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#include <cstring>
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#include <fstream>
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#include <iostream>
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#include <mpi.h>
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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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#if defined(OMPI_MAJOR_VERSION)
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const bool have_openmpi = true;
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#else
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const bool have_openmpi = false;
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#endif
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using LAMMPS_NS::utils::split_words;
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namespace LAMMPS_NS {
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using ::testing::ExitedWithCode;
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using ::testing::MatchesRegex;
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using ::testing::StrEq;
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#define TEST_FAILURE(errmsg, ...) \
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if (Info::has_exceptions()) { \
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::testing::internal::CaptureStdout(); \
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ASSERT_ANY_THROW({__VA_ARGS__}); \
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auto mesg = ::testing::internal::GetCapturedStdout(); \
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ASSERT_THAT(mesg, MatchesRegex(errmsg)); \
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} else { \
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if (!have_openmpi) { \
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::testing::internal::CaptureStdout(); \
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ASSERT_DEATH({__VA_ARGS__}, ""); \
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auto mesg = ::testing::internal::GetCapturedStdout(); \
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ASSERT_THAT(mesg, MatchesRegex(errmsg)); \
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} \
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}
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class SimpleCommandsTest : public ::testing::Test {
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protected:
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LAMMPS *lmp;
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void SetUp() override
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{
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const char *args[] = {"SimpleCommandsTest", "-log", "none", "-echo", "screen", "-nocite"};
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char **argv = (char **)args;
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int argc = sizeof(args) / sizeof(char *);
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if (!verbose) ::testing::internal::CaptureStdout();
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lmp = new LAMMPS(argc, argv, MPI_COMM_WORLD);
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if (!verbose) ::testing::internal::GetCapturedStdout();
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}
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void TearDown() override
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{
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if (!verbose) ::testing::internal::CaptureStdout();
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delete lmp;
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if (!verbose) ::testing::internal::GetCapturedStdout();
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}
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};
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TEST_F(SimpleCommandsTest, UnknownCommand)
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{
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TEST_FAILURE(".*ERROR: Unknown command.*", lmp->input->one("XXX one two"););
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}
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TEST_F(SimpleCommandsTest, Echo)
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{
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ASSERT_EQ(lmp->input->echo_screen, 1);
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ASSERT_EQ(lmp->input->echo_log, 0);
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if (!verbose) ::testing::internal::CaptureStdout();
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lmp->input->one("echo none");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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ASSERT_EQ(lmp->input->echo_screen, 0);
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ASSERT_EQ(lmp->input->echo_log, 0);
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if (!verbose) ::testing::internal::CaptureStdout();
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lmp->input->one("echo both");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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ASSERT_EQ(lmp->input->echo_screen, 1);
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ASSERT_EQ(lmp->input->echo_log, 1);
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if (!verbose) ::testing::internal::CaptureStdout();
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lmp->input->one("echo screen");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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ASSERT_EQ(lmp->input->echo_screen, 1);
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ASSERT_EQ(lmp->input->echo_log, 0);
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if (!verbose) ::testing::internal::CaptureStdout();
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lmp->input->one("echo log");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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ASSERT_EQ(lmp->input->echo_screen, 0);
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ASSERT_EQ(lmp->input->echo_log, 1);
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TEST_FAILURE(".*ERROR: Illegal echo command.*", lmp->input->one("echo"););
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TEST_FAILURE(".*ERROR: Illegal echo command.*", lmp->input->one("echo xxx"););
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}
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TEST_F(SimpleCommandsTest, Log)
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{
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ASSERT_EQ(lmp->logfile, nullptr);
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if (!verbose) ::testing::internal::CaptureStdout();
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lmp->input->one("log simple_command_test.log");
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lmp->input->one("print 'test1'");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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ASSERT_NE(lmp->logfile, nullptr);
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if (!verbose) ::testing::internal::CaptureStdout();
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lmp->input->one("log none");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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ASSERT_EQ(lmp->logfile, nullptr);
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std::string text;
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std::ifstream in;
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in.open("simple_command_test.log");
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in >> text;
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in.close();
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ASSERT_THAT(text, StrEq("test1"));
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if (!verbose) ::testing::internal::CaptureStdout();
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lmp->input->one("log simple_command_test.log append");
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lmp->input->one("print 'test2'");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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ASSERT_NE(lmp->logfile, nullptr);
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if (!verbose) ::testing::internal::CaptureStdout();
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lmp->input->one("log none");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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ASSERT_EQ(lmp->logfile, nullptr);
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in.open("simple_command_test.log");
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in >> text;
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ASSERT_THAT(text, StrEq("test1"));
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in >> text;
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ASSERT_THAT(text, StrEq("test2"));
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in.close();
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remove("simple_command_test.log");
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TEST_FAILURE(".*ERROR: Illegal log command.*", lmp->input->one("log"););
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}
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TEST_F(SimpleCommandsTest, Newton)
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{
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// default setting is "on" for both
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ASSERT_EQ(lmp->force->newton_pair, 1);
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ASSERT_EQ(lmp->force->newton_bond, 1);
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if (!verbose) ::testing::internal::CaptureStdout();
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lmp->input->one("newton off");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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ASSERT_EQ(lmp->force->newton_pair, 0);
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ASSERT_EQ(lmp->force->newton_bond, 0);
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if (!verbose) ::testing::internal::CaptureStdout();
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lmp->input->one("newton on off");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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ASSERT_EQ(lmp->force->newton_pair, 1);
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ASSERT_EQ(lmp->force->newton_bond, 0);
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if (!verbose) ::testing::internal::CaptureStdout();
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lmp->input->one("newton off on");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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ASSERT_EQ(lmp->force->newton_pair, 0);
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ASSERT_EQ(lmp->force->newton_bond, 1);
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if (!verbose) ::testing::internal::CaptureStdout();
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lmp->input->one("newton on");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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ASSERT_EQ(lmp->force->newton_pair, 1);
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ASSERT_EQ(lmp->force->newton_bond, 1);
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}
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TEST_F(SimpleCommandsTest, Quit)
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{
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::testing::internal::CaptureStdout();
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lmp->input->one("echo none");
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::testing::internal::GetCapturedStdout();
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TEST_FAILURE(".*ERROR: Expected integer .*", lmp->input->one("quit xxx"););
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// the following tests must be skipped with OpenMPI due to using threads
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if (have_openmpi) GTEST_SKIP();
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ASSERT_EXIT(lmp->input->one("quit"), ExitedWithCode(0), "");
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ASSERT_EXIT(lmp->input->one("quit 9"), ExitedWithCode(9), "");
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}
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TEST_F(SimpleCommandsTest, ResetTimestep)
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{
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ASSERT_EQ(lmp->update->ntimestep, 0);
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if (!verbose) ::testing::internal::CaptureStdout();
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lmp->input->one("reset_timestep 10");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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ASSERT_EQ(lmp->update->ntimestep, 10);
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if (!verbose) ::testing::internal::CaptureStdout();
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lmp->input->one("reset_timestep 0");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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ASSERT_EQ(lmp->update->ntimestep, 0);
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TEST_FAILURE(".*ERROR: Timestep must be >= 0.*", lmp->input->one("reset_timestep -10"););
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TEST_FAILURE(".*ERROR: Illegal reset_timestep .*", lmp->input->one("reset_timestep"););
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TEST_FAILURE(".*ERROR: Illegal reset_timestep .*", lmp->input->one("reset_timestep 10 10"););
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TEST_FAILURE(".*ERROR: Expected integer .*", lmp->input->one("reset_timestep xxx"););
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}
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TEST_F(SimpleCommandsTest, Suffix)
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{
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ASSERT_EQ(lmp->suffix_enable, 0);
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ASSERT_EQ(lmp->suffix, nullptr);
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ASSERT_EQ(lmp->suffix2, nullptr);
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TEST_FAILURE(".*ERROR: May only enable suffixes after defining one.*",
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lmp->input->one("suffix on"););
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if (!verbose) ::testing::internal::CaptureStdout();
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lmp->input->one("suffix one");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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ASSERT_THAT(lmp->suffix, StrEq("one"));
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if (!verbose) ::testing::internal::CaptureStdout();
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lmp->input->one("suffix hybrid two three");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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ASSERT_THAT(lmp->suffix, StrEq("two"));
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ASSERT_THAT(lmp->suffix2, StrEq("three"));
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if (!verbose) ::testing::internal::CaptureStdout();
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lmp->input->one("suffix four");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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ASSERT_THAT(lmp->suffix, StrEq("four"));
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ASSERT_EQ(lmp->suffix2, nullptr);
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if (!verbose) ::testing::internal::CaptureStdout();
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lmp->input->one("suffix off");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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ASSERT_EQ(lmp->suffix_enable, 0);
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if (!verbose) ::testing::internal::CaptureStdout();
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lmp->input->one("suffix on");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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ASSERT_EQ(lmp->suffix_enable, 1);
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TEST_FAILURE(".*ERROR: Illegal suffix command.*", lmp->input->one("suffix"););
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TEST_FAILURE(".*ERROR: Illegal suffix command.*", lmp->input->one("suffix hybrid"););
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TEST_FAILURE(".*ERROR: Illegal suffix command.*", lmp->input->one("suffix hybrid one"););
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}
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TEST_F(SimpleCommandsTest, Thermo)
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{
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ASSERT_EQ(lmp->output->thermo_every, 0);
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ASSERT_EQ(lmp->output->var_thermo, nullptr);
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if (!verbose) ::testing::internal::CaptureStdout();
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lmp->input->one("thermo 2");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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ASSERT_EQ(lmp->output->thermo_every, 2);
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if (!verbose) ::testing::internal::CaptureStdout();
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lmp->input->one("variable step equal logfreq(10,3,10)");
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lmp->input->one("thermo v_step");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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ASSERT_THAT(lmp->output->var_thermo, StrEq("step"));
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if (!verbose) ::testing::internal::CaptureStdout();
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lmp->input->one("thermo 10");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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ASSERT_EQ(lmp->output->thermo_every, 10);
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ASSERT_EQ(lmp->output->var_thermo, nullptr);
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TEST_FAILURE(".*ERROR: Illegal thermo command.*", lmp->input->one("thermo"););
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TEST_FAILURE(".*ERROR: Illegal thermo command.*", lmp->input->one("thermo -1"););
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TEST_FAILURE(".*ERROR: Expected integer.*", lmp->input->one("thermo xxx"););
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}
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TEST_F(SimpleCommandsTest, TimeStep)
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{
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if (!verbose) ::testing::internal::CaptureStdout();
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lmp->input->one("timestep 1");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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ASSERT_EQ(lmp->update->dt, 1.0);
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if (!verbose) ::testing::internal::CaptureStdout();
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lmp->input->one("timestep 0.1");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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ASSERT_EQ(lmp->update->dt, 0.1);
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// zero timestep is legal and works (atoms don't move)
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if (!verbose) ::testing::internal::CaptureStdout();
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lmp->input->one("timestep 0.0");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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ASSERT_EQ(lmp->update->dt, 0.0);
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// negative timestep also creates a viable MD.
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if (!verbose) ::testing::internal::CaptureStdout();
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lmp->input->one("timestep -0.1");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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ASSERT_EQ(lmp->update->dt, -0.1);
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TEST_FAILURE(".*ERROR: Illegal timestep command.*", lmp->input->one("timestep"););
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TEST_FAILURE(".*ERROR: Expected floating point.*", lmp->input->one("timestep xxx"););
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}
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TEST_F(SimpleCommandsTest, Units)
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{
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const char *names[] = {"lj", "real", "metal", "si", "cgs", "electron", "micro", "nano"};
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const double dt[] = {0.005, 1.0, 0.001, 1.0e-8, 1.0e-8, 0.001, 2.0, 0.00045};
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std::size_t num = sizeof(names) / sizeof(const char *);
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ASSERT_EQ(num, sizeof(dt) / sizeof(double));
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ASSERT_THAT(lmp->update->unit_style, StrEq("lj"));
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for (std::size_t i = 0; i < num; ++i) {
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if (!verbose) ::testing::internal::CaptureStdout();
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lmp->input->one(fmt::format("units {}", names[i]));
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if (!verbose) ::testing::internal::GetCapturedStdout();
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ASSERT_THAT(lmp->update->unit_style, StrEq(names[i]));
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ASSERT_EQ(lmp->update->dt, dt[i]);
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}
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if (!verbose) ::testing::internal::CaptureStdout();
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lmp->input->one("clear");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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ASSERT_THAT(lmp->update->unit_style, StrEq("lj"));
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TEST_FAILURE(".*ERROR: Illegal units command.*", lmp->input->one("units unknown"););
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}
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TEST_F(SimpleCommandsTest, Plugin)
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{
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#if defined(__APPLE__)
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std::string loadfmt("plugin load plugins/{}plugin.dylib");
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#else
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std::string loadfmt("plugin load plugins/{}plugin.so");
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#endif
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::testing::internal::CaptureStdout();
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lmp->input->one(fmt::format(loadfmt, "hello"));
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auto text = ::testing::internal::GetCapturedStdout();
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if (verbose) std::cout << text;
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ASSERT_THAT(text, MatchesRegex(".*Loading plugin: Hello world command.*"));
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::testing::internal::CaptureStdout();
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lmp->input->one(fmt::format(loadfmt, "xxx"));
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text = ::testing::internal::GetCapturedStdout();
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if (verbose) std::cout << text;
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ASSERT_THAT(text, MatchesRegex(".*Open of file plugins/xxx.* failed.*"));
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::testing::internal::CaptureStdout();
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lmp->input->one(fmt::format(loadfmt, "nve2"));
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text = ::testing::internal::GetCapturedStdout();
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if (verbose) std::cout << text;
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ASSERT_THAT(text, MatchesRegex(".*Loading plugin: NVE2 variant fix style.*"));
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::testing::internal::CaptureStdout();
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lmp->input->one("plugin list");
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text = ::testing::internal::GetCapturedStdout();
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if (verbose) std::cout << text;
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ASSERT_THAT(text, MatchesRegex(".*1: command style plugin hello"
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".*2: fix style plugin nve2.*"));
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::testing::internal::CaptureStdout();
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lmp->input->one(fmt::format(loadfmt, "hello"));
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text = ::testing::internal::GetCapturedStdout();
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if (verbose) std::cout << text;
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ASSERT_THAT(text, MatchesRegex(".*Ignoring load of command style hello: "
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"must unload existing hello plugin.*"));
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::testing::internal::CaptureStdout();
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lmp->input->one("plugin unload command hello");
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text = ::testing::internal::GetCapturedStdout();
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if (verbose) std::cout << text;
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ASSERT_THAT(text, MatchesRegex(".*Unloading command style hello.*"));
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::testing::internal::CaptureStdout();
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lmp->input->one("plugin unload pair nve2");
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text = ::testing::internal::GetCapturedStdout();
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if (verbose) std::cout << text;
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ASSERT_THAT(text, MatchesRegex(".*Ignoring unload of pair style nve2: "
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"not loaded from a plugin.*"));
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::testing::internal::CaptureStdout();
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lmp->input->one("plugin unload fix nve2");
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text = ::testing::internal::GetCapturedStdout();
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if (verbose) std::cout << text;
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ASSERT_THAT(text, MatchesRegex(".*Unloading fix style nve2.*"));
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::testing::internal::CaptureStdout();
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lmp->input->one("plugin unload fix nve");
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text = ::testing::internal::GetCapturedStdout();
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if (verbose) std::cout << text;
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ASSERT_THAT(text, MatchesRegex(".*Ignoring unload of fix style nve: "
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"not loaded from a plugin.*"));
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::testing::internal::CaptureStdout();
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lmp->input->one("plugin list");
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text = ::testing::internal::GetCapturedStdout();
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if (verbose) std::cout << text;
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ASSERT_THAT(text, MatchesRegex(".*Currently loaded plugins.*"));
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}
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TEST_F(SimpleCommandsTest, Shell)
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{
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if (!verbose) ::testing::internal::CaptureStdout();
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lmp->input->one("shell putenv TEST_VARIABLE=simpletest");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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char *test_var = getenv("TEST_VARIABLE");
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ASSERT_NE(test_var, nullptr);
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ASSERT_THAT(test_var, StrEq("simpletest"));
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if (!verbose) ::testing::internal::CaptureStdout();
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lmp->input->one("shell putenv TEST_VARIABLE=simpletest");
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lmp->input->one("shell putenv TEST_VARIABLE2=simpletest2 OTHER_VARIABLE=2");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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char *test_var2 = getenv("TEST_VARIABLE2");
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char *other_var = getenv("OTHER_VARIABLE");
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ASSERT_NE(test_var2, nullptr);
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ASSERT_THAT(test_var2, StrEq("simpletest2"));
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ASSERT_NE(other_var, nullptr);
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ASSERT_THAT(other_var, StrEq("2"));
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}
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TEST_F(SimpleCommandsTest, CiteMe)
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{
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ASSERT_EQ(lmp->citeme, nullptr);
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lmp->citeme = new LAMMPS_NS::CiteMe(lmp, CiteMe::TERSE, CiteMe::TERSE, nullptr);
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::testing::internal::CaptureStdout();
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lmp->citeme->add("test citation one:\n 1\n");
|
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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;
|
|
}
|