add tester tool for lattice and region commands
This commit is contained in:
Axel Kohlmeyer
@ -3,6 +3,10 @@ add_executable(test_simple_commands test_simple_commands.cpp)
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target_link_libraries(test_simple_commands PRIVATE lammps GTest::GMock GTest::GTest)
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add_test(NAME SimpleCommands COMMAND test_simple_commands WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR})
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add_executable(test_lattice_region test_lattice_region.cpp)
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target_link_libraries(test_lattice_region PRIVATE lammps GTest::GMock GTest::GTest)
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add_test(NAME LatticeRegion COMMAND test_lattice_region WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR})
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add_executable(test_kim_commands test_kim_commands.cpp)
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target_link_libraries(test_kim_commands PRIVATE lammps GTest::GMock GTest::GTest)
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add_test(NAME KimCommands COMMAND test_kim_commands WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR})
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185
unittest/commands/test_lattice_region.cpp
Normal file
185
unittest/commands/test_lattice_region.cpp
Normal file
@ -0,0 +1,185 @@
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/* ----------------------------------------------------------------------
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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 "domain.h"
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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 "lattice.h"
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#include "region.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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#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 LatticeRegionTest : 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[] = {"LatticeRegionTest", "-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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lmp->input->one("units metal");
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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(LatticeRegionTest, lattice_none)
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{
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if (!verbose) ::testing::internal::CaptureStdout();
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lmp->input->one("lattice none 2.0");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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auto lattice = lmp->domain->lattice;
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ASSERT_EQ(lattice->style, Lattice::NONE);
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ASSERT_EQ(lattice->xlattice, 2.0);
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ASSERT_EQ(lattice->ylattice, 2.0);
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ASSERT_EQ(lattice->zlattice, 2.0);
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ASSERT_EQ(lattice->nbasis, 0);
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ASSERT_EQ(lattice->basis, nullptr);
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TEST_FAILURE(".*ERROR: Illegal lattice command.*", lmp->input->one("lattice"););
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TEST_FAILURE(".*ERROR: Illegal lattice command.*", lmp->input->one("lattice xxx"););
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TEST_FAILURE(".*ERROR: Illegal lattice command.*", lmp->input->one("lattice none 1.0 origin"););
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TEST_FAILURE(".*ERROR: Expected floating point.*", lmp->input->one("lattice none xxx"););
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}
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TEST_F(LatticeRegionTest, lattice_sc)
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{
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::testing::internal::CaptureStdout();
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lmp->input->one("lattice sc 2.0");
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auto output = ::testing::internal::GetCapturedStdout();
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if (verbose) std::cout << output;
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ASSERT_THAT(output, MatchesRegex(".*Lattice spacing in x,y,z = 2.0* 2.0* 2.0*.*"));
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auto lattice = lmp->domain->lattice;
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ASSERT_EQ(lattice->style, Lattice::SC);
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ASSERT_EQ(lattice->xlattice, 2.0);
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ASSERT_EQ(lattice->ylattice, 2.0);
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ASSERT_EQ(lattice->zlattice, 2.0);
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ASSERT_EQ(lattice->nbasis, 1);
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ASSERT_NE(lattice->basis, nullptr);
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ASSERT_EQ(lattice->a1[0], 1.0);
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ASSERT_EQ(lattice->a1[1], 0.0);
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ASSERT_EQ(lattice->a1[2], 0.0);
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ASSERT_EQ(lattice->a2[0], 0.0);
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ASSERT_EQ(lattice->a2[1], 1.0);
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ASSERT_EQ(lattice->a2[2], 0.0);
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ASSERT_EQ(lattice->a3[0], 0.0);
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ASSERT_EQ(lattice->a3[1], 0.0);
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ASSERT_EQ(lattice->a3[2], 1.0);
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ASSERT_EQ(lattice->basis[0][0], 0.0);
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ASSERT_EQ(lattice->basis[0][1], 0.0);
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ASSERT_EQ(lattice->basis[0][2], 0.0);
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TEST_FAILURE(".*ERROR: Illegal lattice command.*",
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lmp->input->one("lattice sc 1.0 origin 1.0 1.0 1.0"););
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TEST_FAILURE(".*ERROR: Illegal lattice command.*",
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lmp->input->one("lattice sc 1.0 origin 1.0"););
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TEST_FAILURE(".*ERROR: Expected floating point.*",
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lmp->input->one("lattice sc 1.0 origin xxx 1.0 1.0"););
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}
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TEST_F(LatticeRegionTest, lattice_bcc)
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{
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if (!verbose) ::testing::internal::CaptureStdout();
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lmp->input->one("lattice bcc 4.2 orient x 1 1 0 orient y -1 1 0");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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auto lattice = lmp->domain->lattice;
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ASSERT_EQ(lattice->style, Lattice::BCC);
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ASSERT_DOUBLE_EQ(lattice->xlattice, sqrt(2.0)*4.2);
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ASSERT_DOUBLE_EQ(lattice->ylattice, sqrt(2.0)*4.2);
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ASSERT_DOUBLE_EQ(lattice->zlattice, 4.2);
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ASSERT_EQ(lattice->nbasis, 2);
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ASSERT_EQ(lattice->basis[0][0], 0.0);
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ASSERT_EQ(lattice->basis[0][1], 0.0);
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ASSERT_EQ(lattice->basis[0][2], 0.0);
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ASSERT_EQ(lattice->basis[1][0], 0.5);
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ASSERT_EQ(lattice->basis[1][1], 0.5);
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ASSERT_EQ(lattice->basis[1][2], 0.5);
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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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if (have_openmpi && !LAMMPS_NS::Info::has_exceptions())
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std::cout << "Warning: using OpenMPI without exceptions. "
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"Death tests will be skipped\n";
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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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