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// unit tests for extracting box dimensions fom a LAMMPS instance through the Fortran wrapper
#include "lammps.h"
#include <mpi.h>
#include <string>
#include "gtest/gtest.h"
// prototypes for fortran reverse wrapper functions
extern "C" {
void *f_lammps_with_args();
void f_lammps_close();
void f_lammps_box_setup();
double f_lammps_extract_box_xlo();
double f_lammps_extract_box_xhi();
double f_lammps_extract_box_ylo();
double f_lammps_extract_box_yhi();
double f_lammps_extract_box_zlo();
double f_lammps_extract_box_zhi();
void f_lammps_delete_everything();
void f_lammps_reset_box_2x();
}
class LAMMPS_commands : public ::testing::Test {
protected:
LAMMPS_NS::LAMMPS *lmp;
LAMMPS_commands() = default;
~LAMMPS_commands() override = default;
void SetUp() override
{
::testing::internal::CaptureStdout();
lmp = (LAMMPS_NS::LAMMPS *)f_lammps_with_args();
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_commands, get_thermo)
{
f_lammps_box_setup();
EXPECT_DOUBLE_EQ(f_lammps_extract_box_xlo(), 0.0);
EXPECT_DOUBLE_EQ(f_lammps_extract_box_xhi(), 2.0);
EXPECT_DOUBLE_EQ(f_lammps_extract_box_ylo(), 0.0);
EXPECT_DOUBLE_EQ(f_lammps_extract_box_yhi(), 2.0);
EXPECT_DOUBLE_EQ(f_lammps_extract_box_zlo(), 0.0);
EXPECT_DOUBLE_EQ(f_lammps_extract_box_zhi(), 2.0);
f_lammps_delete_everything();
f_lammps_reset_box_2x();
EXPECT_DOUBLE_EQ(f_lammps_extract_box_xlo(), -1.0);
EXPECT_DOUBLE_EQ(f_lammps_extract_box_xhi(), 3.0);
EXPECT_DOUBLE_EQ(f_lammps_extract_box_ylo(), -1.0);
EXPECT_DOUBLE_EQ(f_lammps_extract_box_yhi(), 3.0);
EXPECT_DOUBLE_EQ(f_lammps_extract_box_zlo(), -1.0);
EXPECT_DOUBLE_EQ(f_lammps_extract_box_zhi(), 3.0);
};
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