68 lines
2.2 KiB
C++
68 lines
2.2 KiB
C++
// unit tests for getting thermodynamic output from a LAMMPS instance through the Fortran wrapper
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#include "lammps.h"
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#include <mpi.h>
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#include <string>
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#include "gtest/gtest.h"
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// prototypes for fortran reverse wrapper functions
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extern "C" {
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void *f_lammps_with_args();
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void f_lammps_close();
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void f_lammps_get_thermo_setup();
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double f_lammps_get_thermo_natoms();
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double f_lammps_get_thermo_dt();
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double f_lammps_get_thermo_vol();
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double f_lammps_get_thermo_lx();
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double f_lammps_get_thermo_ly();
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double f_lammps_get_thermo_lz();
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double f_lammps_get_thermo_xlo();
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double f_lammps_get_thermo_xhi();
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double f_lammps_get_thermo_ylo();
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double f_lammps_get_thermo_yhi();
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double f_lammps_get_thermo_zlo();
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double f_lammps_get_thermo_zhi();
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}
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class LAMMPS_thermo : public ::testing::Test {
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protected:
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LAMMPS_NS::LAMMPS *lmp;
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LAMMPS_thermo() = default;
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~LAMMPS_thermo() override = default;
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void SetUp() override
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{
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::testing::internal::CaptureStdout();
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lmp = (LAMMPS_NS::LAMMPS *)f_lammps_with_args();
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std::string output = ::testing::internal::GetCapturedStdout();
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EXPECT_STREQ(output.substr(0, 8).c_str(), "LAMMPS (");
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}
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void TearDown() override
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{
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::testing::internal::CaptureStdout();
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f_lammps_close();
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std::string output = ::testing::internal::GetCapturedStdout();
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EXPECT_STREQ(output.substr(0, 16).c_str(), "Total wall time:");
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lmp = nullptr;
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}
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};
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TEST_F(LAMMPS_thermo, get_thermo)
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{
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EXPECT_DOUBLE_EQ(f_lammps_get_thermo_natoms(), 0.0);
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f_lammps_get_thermo_setup();
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EXPECT_DOUBLE_EQ(f_lammps_get_thermo_natoms(), 2.0);
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EXPECT_DOUBLE_EQ(f_lammps_get_thermo_dt(), 0.005);
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EXPECT_DOUBLE_EQ(f_lammps_get_thermo_vol(), 24.0);
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EXPECT_DOUBLE_EQ(f_lammps_get_thermo_lx(), 2.0);
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EXPECT_DOUBLE_EQ(f_lammps_get_thermo_ly(), 3.0);
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EXPECT_DOUBLE_EQ(f_lammps_get_thermo_lz(), 4.0);
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EXPECT_DOUBLE_EQ(f_lammps_get_thermo_xlo(), 0.0);
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EXPECT_DOUBLE_EQ(f_lammps_get_thermo_xhi(), 2.0);
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EXPECT_DOUBLE_EQ(f_lammps_get_thermo_ylo(), 0.0);
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EXPECT_DOUBLE_EQ(f_lammps_get_thermo_yhi(), 3.0);
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EXPECT_DOUBLE_EQ(f_lammps_get_thermo_zlo(), 0.0);
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EXPECT_DOUBLE_EQ(f_lammps_get_thermo_zhi(), 4.0);
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};
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