From 9be96fb96a2e1d4bffbbdf444a7733079341ee13 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Sat, 13 Mar 2021 22:53:03 -0500 Subject: [PATCH] add unit test for groups --- unittest/commands/CMakeLists.txt | 4 + unittest/commands/test_groups.cpp | 280 ++++++++++++++++++++++++++++++ 2 files changed, 284 insertions(+) create mode 100644 unittest/commands/test_groups.cpp diff --git a/unittest/commands/CMakeLists.txt b/unittest/commands/CMakeLists.txt index 7a804820cb..ee0e89d7e9 100644 --- a/unittest/commands/CMakeLists.txt +++ b/unittest/commands/CMakeLists.txt @@ -7,6 +7,10 @@ add_executable(test_lattice_region test_lattice_region.cpp) target_link_libraries(test_lattice_region PRIVATE lammps GTest::GMock GTest::GTest) add_test(NAME LatticeRegion COMMAND test_lattice_region WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) +add_executable(test_groups test_groups.cpp) +target_link_libraries(test_groups PRIVATE lammps GTest::GMock GTest::GTest) +add_test(NAME Groups COMMAND test_groups WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) + add_executable(test_kim_commands test_kim_commands.cpp) if(KIM_EXTRA_UNITTESTS) if(CURL_FOUND) diff --git a/unittest/commands/test_groups.cpp b/unittest/commands/test_groups.cpp new file mode 100644 index 0000000000..19fe85c877 --- /dev/null +++ b/unittest/commands/test_groups.cpp @@ -0,0 +1,280 @@ +/* ---------------------------------------------------------------------- + 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 "atom.h" +#include "domain.h" +#include "group.h" +#include "info.h" +#include "input.h" +#include "regrion.h" + +#include "gmock/gmock.h" +#include "gtest/gtest.h" + +#include +#include + +// 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(); \ + if (verbose) std::cout << mesg; \ + ASSERT_THAT(mesg, MatchesRegex(errmsg)); \ + } else { \ + if (!have_openmpi) { \ + ::testing::internal::CaptureStdout(); \ + ASSERT_DEATH({__VA_ARGS__}, ""); \ + auto mesg = ::testing::internal::GetCapturedStdout(); \ + if (verbose) std::cout << mesg; \ + ASSERT_THAT(mesg, MatchesRegex(errmsg)); \ + } \ + } + +class GroupTest : public ::testing::Test { +protected: + LAMMPS *lmp; + + void SetUp() override + { + const char *args[] = {"GroupTest", "-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(); + std::cout.flush(); + } + + void atomic_system() + { + if (!verbose) ::testing::internal::CaptureStdout(); + lmp->input->one("units real"); + lmp->input->one("lattice sc 1.0 origin 0.125 0.125 0.125"); + lmp->input->one("region box block -2 2 -2 2 -2 2"); + lmp->input->one("create_box 8 box"); + lmp->input->one("create_atoms 1 box"); + lmp->input->one("mass * 1.0"); + lmp->input->one("region left block -2.0 -1.0 INF INF INF INF"); + lmp->input->one("region right block 0.5 2.0 INF INF INF INF"); + lmp->input->one("set region left type 2"); + lmp->input->one("set region right type 3"); + if (!verbose) ::testing::internal::GetCapturedStdout(); + } + + void molecular_system() + { + if (!verbose) ::testing::internal::CaptureStdout(); + lmp->input->one("atom_style full"); + atomic_system(); + if (!verbose) ::testing::internal::GetCapturedStdout(); + } +}; + +TEST_F(GroupTest, NoBox) +{ + ASSERT_EQ(lmp->group->ngroup, 1); + TEST_FAILURE(".*ERROR: Group command before simulation box.*", + lmp->input->one("group none empty");); +} + +TEST_F(GroupTest, EmptyDelete) +{ + atomic_system(); + + if (!verbose) ::testing::internal::CaptureStdout(); + lmp->input->one("group new1 empty"); + lmp->input->one("group new2 empty"); + lmp->input->one("group new2 empty"); + lmp->input->one("group new3 empty"); + lmp->input->one("group new4 empty"); + lmp->input->one("group new5 empty"); + lmp->input->one("group new6 empty"); + lmp->input->one("fix 1 new2 nve"); + lmp->input->one("compute 1 new3 ke"); + lmp->input->one("dump 1 new4 atom 50 dump.melt"); + lmp->input->one("atom_modify first new5"); + if (!verbose) ::testing::internal::GetCapturedStdout(); + ASSERT_EQ(lmp->group->ngroup, 7); + TEST_FAILURE(".*ERROR: Illegal group command.*", lmp->input->one("group new3 empty xxx");); + + if (!verbose) ::testing::internal::CaptureStdout(); + lmp->group->assign("new1 delete"); + if (!verbose) ::testing::internal::GetCapturedStdout(); + ASSERT_EQ(lmp->group->ngroup, 6); + + TEST_FAILURE(".*ERROR: Illegal group command.*", lmp->input->one("group new2 delete xxx");); + TEST_FAILURE(".*ERROR: Cannot delete group all.*", lmp->input->one("group all delete");); + TEST_FAILURE(".*ERROR: Could not find group delete.*", lmp->input->one("group new0 delete");); + TEST_FAILURE(".*ERROR: Cannot delete group currently used by a fix.*", + lmp->input->one("group new2 delete");); + TEST_FAILURE(".*ERROR: Cannot delete group currently used by a compute.*", + lmp->input->one("group new3 delete");); + TEST_FAILURE(".*ERROR: Cannot delete group currently used by a dump.*", + lmp->input->one("group new4 delete");); + TEST_FAILURE(".*ERROR: Cannot delete group currently used by atom_modify.*", + lmp->input->one("group new5 delete");); +} + +TEST_F(GroupTest, RegionClear) +{ + atomic_system(); + + if (!verbose) ::testing::internal::CaptureStdout(); + lmp->input->one("group one region left"); + lmp->input->one("group two region right"); + lmp->input->one("group three empty"); + lmp->input->one("group four region left"); + lmp->input->one("group four region right"); + if (!verbose) ::testing::internal::GetCapturedStdout(); + ASSERT_EQ(lmp->group->count(lmp->group->find("one")), 16); + ASSERT_EQ(lmp->group->count(lmp->group->find("two")), 16); + ASSERT_EQ(lmp->group->count(lmp->group->find("three")), 0); + ASSERT_EQ(lmp->group->count(lmp->group->find("four")), 32); + ASSERT_EQ(lmp->group->count(lmp->group->find("all")), lmp->atom->natoms); + ASSERT_EQ(lmp->group->count_all(), lmp->atom->natoms); + + TEST_FAILURE(".*ERROR: Illegal group command.*", + lmp->input->one("group three region left xxx");); + TEST_FAILURE(".*ERROR: Group region ID does not exist.*", + lmp->input->one("group four region top");); + + if (!verbose) ::testing::internal::CaptureStdout(); + lmp->input->one("group one clear"); + lmp->input->one("group two clear"); + lmp->input->one("group three clear"); + lmp->input->one("group four clear"); + if (!verbose) ::testing::internal::GetCapturedStdout(); + ASSERT_EQ(lmp->group->count(lmp->group->find("one")), 0); + ASSERT_EQ(lmp->group->count(lmp->group->find("two")), 0); + ASSERT_EQ(lmp->group->count(lmp->group->find("three")), 0); + ASSERT_EQ(lmp->group->count(lmp->group->find("four")), 0); + + if (!verbose) ::testing::internal::CaptureStdout(); + lmp->input->one("delete_atoms region box"); + if (!verbose) ::testing::internal::GetCapturedStdout(); + ASSERT_EQ(lmp->group->count(lmp->group->find("all")), 0); +} + +TEST_F(GroupTest, SelectRestart) +{ + atomic_system(); + + int *flags = new int[lmp->atom->natoms]; + for (int i = 0; i < lmp->atom->natoms; ++i) + flags[i] = i & 1; + + if (!verbose) ::testing::internal::CaptureStdout(); + lmp->input->one("group one region left"); + lmp->input->one("group two region right"); + lmp->group->create("half", flags); + lmp->group->find_or_create("three"); + lmp->group->find_or_create("one"); + lmp->input->one("group four union one two"); + lmp->input->one("group five subtract all half four"); + if (!verbose) ::testing::internal::GetCapturedStdout(); + ASSERT_EQ(lmp->group->count(lmp->group->find("one")), 16); + ASSERT_EQ(lmp->group->count(lmp->group->find("two")), 16); + ASSERT_EQ(lmp->group->count(lmp->group->find("three")), 0); + ASSERT_EQ(lmp->group->count(lmp->group->find("half")), 32); + ASSERT_EQ(lmp->group->count(lmp->group->find("four")), 32); + ASSERT_EQ(lmp->group->count(lmp->group->find("five")), 16); + + if (!verbose) ::testing::internal::CaptureStdout(); + lmp->input->one("write_restart group.restart"); + lmp->input->one("clear"); + lmp->input->one("read_restart group.restart"); + if (!verbose) ::testing::internal::GetCapturedStdout(); + ASSERT_EQ(lmp->group->count(lmp->group->find("one")), 16); + ASSERT_EQ(lmp->group->count(lmp->group->find("two")), 16); + ASSERT_EQ(lmp->group->count(lmp->group->find("three")), 0); + ASSERT_EQ(lmp->group->count(lmp->group->find("half")), 32); + ASSERT_EQ(lmp->group->count(lmp->group->find("four")), 32); + ASSERT_EQ(lmp->group->count(lmp->group->find("five")), 16); + ASSERT_EQ(lmp->group->count(lmp->group->find("half"), lmp->domain->find_region("left")), 8); + +#if 0 + TEST_FAILURE(".*ERROR: Illegal group command.*", + lmp->input->one("group three region left xxx");); + TEST_FAILURE(".*ERROR: Group region ID does not exist.*", + lmp->input->one("group four region top");); + + if (!verbose) ::testing::internal::CaptureStdout(); + lmp->input->one("group one clear"); + lmp->input->one("group two clear"); + lmp->input->one("group three clear"); + lmp->input->one("group four clear"); + if (!verbose) ::testing::internal::GetCapturedStdout(); + ASSERT_EQ(lmp->group->count(lmp->group->find("one")), 0); + ASSERT_EQ(lmp->group->count(lmp->group->find("two")), 0); + ASSERT_EQ(lmp->group->count(lmp->group->find("three")), 0); + ASSERT_EQ(lmp->group->count(lmp->group->find("four")), 0); + + if (!verbose) ::testing::internal::CaptureStdout(); + lmp->input->one("delete_atoms region box"); + if (!verbose) ::testing::internal::GetCapturedStdout(); + ASSERT_EQ(lmp->group->count(lmp->group->find("all")), 0); +#endif +} +} // 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 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; +}