65 lines
2.1 KiB
C++
65 lines
2.1 KiB
C++
// unit tests for extracting box dimensions fom 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_box_setup();
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double f_lammps_extract_box_xlo();
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double f_lammps_extract_box_xhi();
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double f_lammps_extract_box_ylo();
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double f_lammps_extract_box_yhi();
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double f_lammps_extract_box_zlo();
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double f_lammps_extract_box_zhi();
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void f_lammps_delete_everything();
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void f_lammps_reset_box_2x();
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}
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class LAMMPS_commands : public ::testing::Test {
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protected:
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LAMMPS_NS::LAMMPS *lmp;
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LAMMPS_commands() = default;
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~LAMMPS_commands() 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_commands, get_thermo)
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{
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f_lammps_box_setup();
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EXPECT_DOUBLE_EQ(f_lammps_extract_box_xlo(), 0.0);
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EXPECT_DOUBLE_EQ(f_lammps_extract_box_xhi(), 2.0);
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EXPECT_DOUBLE_EQ(f_lammps_extract_box_ylo(), 0.0);
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EXPECT_DOUBLE_EQ(f_lammps_extract_box_yhi(), 2.0);
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EXPECT_DOUBLE_EQ(f_lammps_extract_box_zlo(), 0.0);
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EXPECT_DOUBLE_EQ(f_lammps_extract_box_zhi(), 2.0);
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f_lammps_delete_everything();
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f_lammps_reset_box_2x();
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EXPECT_DOUBLE_EQ(f_lammps_extract_box_xlo(),-1.0);
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EXPECT_DOUBLE_EQ(f_lammps_extract_box_xhi(), 3.0);
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EXPECT_DOUBLE_EQ(f_lammps_extract_box_ylo(),-1.0);
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EXPECT_DOUBLE_EQ(f_lammps_extract_box_yhi(), 3.0);
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EXPECT_DOUBLE_EQ(f_lammps_extract_box_zlo(),-1.0);
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EXPECT_DOUBLE_EQ(f_lammps_extract_box_zhi(), 3.0);
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};
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