/* ---------------------------------------------------------------------- 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; }