// unit tests for extracting compute data from a LAMMPS instance through the // Fortran wrapper #include #include "lammps.h" #include "library.h" #include #include #include #include #include "gtest/gtest.h" #define STRINGIFY(val) XSTR(val) #define XSTR(val) #val // prototypes for Fortran reverse wrapper functions extern "C" { void *f_lammps_with_c_args(int,char**); void f_lammps_close(); void f_lammps_setup_extract_variable(); int f_lammps_extract_variable_index_1(); int f_lammps_extract_variable_index_2(); int f_lammps_extract_variable_loop(); double f_lammps_extract_variable_loop_pad(); void f_lammps_setup_extract_variable_world(); void f_lammps_setup_extract_variable_universe(); int f_lammps_setup_extract_variable_uloop(); void f_lammps_setup_extract_variable_string(); void f_lammps_setup_extract_variable_format(); void f_lammps_setup_extract_variable_getenv(); void f_lammps_setup_extract_variable_file(); void f_lammps_setup_extract_variable_atomfile(); double f_lammps_setup_extract_variable_python(); double f_lammps_setup_extract_variable_timer(); double f_lammps_setup_extract_variable_internal(); double f_lammps_extract_variable_equal_natoms(); double f_lammps_extract_variable_equal_dt(); double f_lammps_extract_variable_vector(int); double f_lammps_extract_variable_atom(int); } class LAMMPS_extract_variable : public ::testing::Test { protected: LAMMPS_NS::LAMMPS *lmp; LAMMPS_extract_variable() = default; ~LAMMPS_extract_variable() override = default; void SetUp() override { const char *args[] = {"LAMMPS_Fortran_test", "-l", "none", "-echo", "screen", "-nocite", "-var", "input_dir", STRINGIFY(TEST_INPUT_FOLDER), "-var", "zpos", "1.5", "-var", "x", "2"}; char** argv = (char**) args; int argc = sizeof(args) / sizeof(const char*); ::testing::internal::CaptureStdout(); std::fprintf(stderr,"THIS IS A TEST\n"); lmp = (LAMMPS_NS::LAMMPS*)f_lammps_with_c_args(argc, argv); std::string output = ::testing::internal::GetCapturedStdout(); EXPECT_STREQ(output.substr(0, 8).c_str(), "LAMMPS ("); } void TearDown() override { ::testing::internal::CaptureStdout(); f_lammps_close(); std::string output = ::testing::internal::GetCapturedStdout(); EXPECT_STREQ(output.substr(0, 16).c_str(), "Total wall time:"); lmp = nullptr; } }; TEST_F(LAMMPS_extract_variable, index) { f_lammps_setup_extract_variable(); EXPECT_EQ(f_lammps_extract_variable_index_1(), 1); EXPECT_EQ(f_lammps_extract_variable_index_2(), 0); lammps_command(lmp, "next idx"); EXPECT_EQ(f_lammps_extract_variable_index_1(), 0); EXPECT_EQ(f_lammps_extract_variable_index_2(), 1); }; TEST_F(LAMMPS_extract_variable, loop) { f_lammps_setup_extract_variable(); EXPECT_EQ(f_lammps_extract_variable_loop(), 1); };