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
|
|
|
|
#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);
|
|
};
|