/* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator https://www.lammps.org/, 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 "group.h" #include "info.h" #include "input.h" #include "math_const.h" #include "region.h" #include "variable.h" #include "../testing/core.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; using LAMMPS_NS::MathConst::MY_PI; using LAMMPS_NS::utils::split_words; namespace LAMMPS_NS { using ::testing::ContainsRegex; using ::testing::ExitedWithCode; using ::testing::StrEq; class DeleteAtomsTest : public LAMMPSTest { protected: Atom *atom; void SetUp() override { testbinary = "DeleteAtomsTest"; args = {"-log", "none", "-echo", "screen", "-nocite", "-v", "num", "1"}; LAMMPSTest::SetUp(); atom = lmp->atom; } void TearDown() override { LAMMPSTest::TearDown(); platform::unlink("test_variable.file"); platform::unlink("test_variable.atomfile"); } void atomic_system() { BEGIN_HIDE_OUTPUT(); command("units real"); command("lattice sc 1.0 origin 0.125 0.125 0.125"); command("region box block -4 4 -4 4 -4 4"); command("create_box 8 box"); command("create_atoms 1 box"); command("mass * 1.0"); command("region left block -2.0 -1.0 INF INF INF INF"); command("region right block 0.5 2.0 INF INF INF INF"); command("region top block INF INF -2.0 -1.0 INF INF"); command("region bottom block INF INF 0.0 4.0 INF INF"); command("set region left type 2"); command("set region right type 3"); command("group bottom region bottom"); command("group top region top"); END_HIDE_OUTPUT(); } void molecular_system() { HIDE_OUTPUT([&] { command("fix props all property/atom mol rmass q"); }); atomic_system(); BEGIN_HIDE_OUTPUT(); command("variable molid atom floor(id/4)+1"); command("variable charge atom 2.0*sin(PI/32*id)"); command("set atom * mol v_molid"); command("set atom * charge v_charge"); command("set type 1 mass 0.5"); command("set type 2*4 mass 2.0"); END_HIDE_OUTPUT(); } }; TEST_F(DeleteAtomsTest, Simple) { atomic_system(); ASSERT_EQ(atom->natoms, 512); HIDE_OUTPUT([&] { command("delete_atoms group top"); }); ASSERT_EQ(atom->natoms, 448); HIDE_OUTPUT([&] { command("delete_atoms region left"); }); ASSERT_EQ(atom->natoms, 392); HIDE_OUTPUT([&] { command("delete_atoms random fraction 0.5 yes all right 43252"); }); ASSERT_EQ(atom->natoms, 364); HIDE_OUTPUT([&] { command("variable checker atom sin(4*PI*x/lx)*sin(4*PI*y/ly)*sin(4*PI*z/lz)>0"); command("delete_atoms variable checker"); }); ASSERT_EQ(atom->natoms, 178); HIDE_OUTPUT([&] { command("delete_atoms random count 3 no bottom right 443252"); }); ASSERT_EQ(atom->natoms, 175); HIDE_OUTPUT([&] { command("delete_atoms random count 50 no all NULL 434325"); }); ASSERT_EQ(atom->natoms, 125); HIDE_OUTPUT([&] { command("delete_atoms random fraction 0.2 no all NULL 34325"); }); ASSERT_EQ(atom->natoms, 104); HIDE_OUTPUT([&] { command("delete_atoms random count 50 no bottom right 77325"); }); ASSERT_EQ(atom->natoms, 102); TEST_FAILURE(".*ERROR: Illegal delete_atoms command: missing argument.*", command("delete_atoms");); TEST_FAILURE(".*ERROR: Unknown delete_atoms sub-command: xxx.*", command("delete_atoms xxx");); TEST_FAILURE(".*ERROR: The delete_atoms 'porosity' keyword has been removed.*", command("delete_atoms porosity 0.5 all right 4325234");); TEST_FAILURE(".*ERROR: Illegal delete_atoms random command: missing argument.*", command("delete_atoms random count 50 bottom right 77325");); TEST_FAILURE(".*ERROR: Illegal delete_atoms random command: missing argument.*", command("delete_atoms random fraction 0.4 bottom right 77325");); TEST_FAILURE(".*ERROR: Delete_atoms random count has invalid value: -5.*", command("delete_atoms random count -5 no bottom right 77325");); TEST_FAILURE(".*ERROR: Delete_atoms count of 5 exceeds number of eligible atoms 0.*", command("delete_atoms random count 5 yes bottom right 77325");); TEST_FAILURE(".*ERROR: Delete_atoms random fraction has invalid value: -0.4.*", command("delete_atoms random fraction -0.4 no bottom right 77325");); } } // namespace LAMMPS_NS int main(int argc, char **argv) { MPI_Init(&argc, &argv); ::testing::InitGoogleMock(&argc, argv); if (platform::mpi_vendor() == "Open MPI" && !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; }