324 lines
11 KiB
C++
324 lines
11 KiB
C++
/* ----------------------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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http://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 "fmt/format.h"
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#include "info.h"
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#include "input.h"
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#include "lammps.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 "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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using LAMMPS_NS::utils::split_words;
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namespace LAMMPS_NS {
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using ::testing::MatchesRegex;
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using ::testing::StrEq;
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#define TEST_FAILURE(...) \
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if (Info::has_exceptions()) { \
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ASSERT_ANY_THROW({__VA_ARGS__}); \
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} else { \
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ASSERT_DEATH({__VA_ARGS__}, ""); \
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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, 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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::testing::internal::CaptureStdout();
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TEST_FAILURE(lmp->input->one("echo"););
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auto mesg = ::testing::internal::GetCapturedStdout();
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ASSERT_THAT(mesg, MatchesRegex("^ERROR: Illegal echo command.*"));
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::testing::internal::CaptureStdout();
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TEST_FAILURE(lmp->input->one("echo xxx"););
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mesg = ::testing::internal::GetCapturedStdout();
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ASSERT_THAT(mesg, MatchesRegex("^ERROR: Illegal echo command.*"));
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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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}
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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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::testing::internal::CaptureStdout();
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TEST_FAILURE(lmp->input->one("suffix on"););
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auto mesg = ::testing::internal::GetCapturedStdout();
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ASSERT_THAT(mesg, MatchesRegex(".*ERROR: May only enable suffixes after defining one.*"));
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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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::testing::internal::CaptureStdout();
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TEST_FAILURE(lmp->input->one("suffix"););
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mesg = ::testing::internal::GetCapturedStdout();
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ASSERT_THAT(mesg, MatchesRegex(".*ERROR: Illegal suffix command.*"));
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::testing::internal::CaptureStdout();
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TEST_FAILURE(lmp->input->one("suffix hybrid"););
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mesg = ::testing::internal::GetCapturedStdout();
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ASSERT_THAT(mesg, MatchesRegex(".*ERROR: Illegal suffix command.*"));
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::testing::internal::CaptureStdout();
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TEST_FAILURE(lmp->input->one("suffix hybrid one"););
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mesg = ::testing::internal::GetCapturedStdout();
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ASSERT_THAT(mesg, MatchesRegex(".*ERROR: Illegal suffix command.*"));
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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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::testing::internal::CaptureStdout();
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TEST_FAILURE(lmp->input->one("thermo"););
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auto mesg = ::testing::internal::GetCapturedStdout();
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ASSERT_THAT(mesg, MatchesRegex(".*ERROR: Illegal thermo command.*"));
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::testing::internal::CaptureStdout();
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TEST_FAILURE(lmp->input->one("thermo -1"););
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mesg = ::testing::internal::GetCapturedStdout();
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ASSERT_THAT(mesg, MatchesRegex(".*ERROR: Illegal thermo command.*"));
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::testing::internal::CaptureStdout();
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TEST_FAILURE(lmp->input->one("thermo xxx"););
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mesg = ::testing::internal::GetCapturedStdout();
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ASSERT_THAT(mesg, MatchesRegex(".*ERROR: Expected integer.*"));
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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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::testing::internal::CaptureStdout();
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TEST_FAILURE(lmp->input->one("timestep"););
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auto mesg = ::testing::internal::GetCapturedStdout();
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ASSERT_THAT(mesg, MatchesRegex(".*ERROR: Illegal timestep command.*"));
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::testing::internal::CaptureStdout();
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TEST_FAILURE(lmp->input->one("timestep xxx"););
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mesg = ::testing::internal::GetCapturedStdout();
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ASSERT_THAT(mesg, MatchesRegex(".*ERROR: Expected floating point.*"));
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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 (int 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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::testing::internal::CaptureStdout();
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TEST_FAILURE(lmp->input->one("units unknown"););
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auto mesg = ::testing::internal::GetCapturedStdout();
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ASSERT_THAT(mesg, MatchesRegex(".*ERROR: Illegal units command.*"));
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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 = 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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