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use common main function that allows handling of common command line flags.

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This commit is contained in:
Axel Kohlmeyer
2020-09-13 16:46:59 -04:00
parent 5a0623595b
commit 39255da6ae
4 changed files with 160 additions and 34 deletions
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88
unittest/c-library/test_library_properties.cpp
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@ -1,53 +1,87 @@
// unit tests for checking and changing simulation properties through the library interface
#include "library.h"
#include "lammps.h"
#include "library.h"
#include <string>
#include "gmock/gmock.h"
#include "gtest/gtest.h"
const char *demo_input[] = {
"region box block 0 $x 0 2 0 2",
"create_box 1 box",
"create_atoms 1 single 1.0 1.0 ${zpos}" };
const char *cont_input[] = {
"create_atoms 1 single &",
"0.2 0.1 0.1" };
#include "test_main.h"
class LAMMPS_properties : public ::testing::Test
{
#define STRINGIFY(val) XSTR(val)
#define XSTR(val) #val
using ::testing::HasSubstr;
using ::testing::StartsWith;
class LAMMPS_properties : public ::testing::Test {
protected:
void *lmp;
LAMMPS_properties() {};
~LAMMPS_properties() override {};
std::string INPUT_DIR = STRINGIFY(TEST_INPUT_FOLDER);
LAMMPS_properties(){};
~LAMMPS_properties() override{};
void SetUp() override
{
const char *args[] = {"LAMMPS_test", "-log", "none",
"-echo", "screen", "-nocite",
"-var", "input_dir", STRINGIFY(TEST_INPUT_FOLDER)};
void SetUp() override {
const char *args[] = {"LAMMPS_test", "-log", "none",
"-echo", "screen", "-nocite" };
char **argv = (char **)args;
int argc = sizeof(args)/sizeof(char *);
int argc = sizeof(args) / sizeof(char *);
::testing::internal::CaptureStdout();
lmp = lammps_open_no_mpi(argc, argv, NULL);
lmp = lammps_open_no_mpi(argc, argv, NULL);
std::string output = ::testing::internal::GetCapturedStdout();
EXPECT_STREQ(output.substr(0,8).c_str(), "LAMMPS (");
if (verbose) std::cout << output;
EXPECT_THAT(output, StartsWith("LAMMPS ("));
}
void TearDown() override {
void TearDown() override
{
::testing::internal::CaptureStdout();
lammps_close(lmp);
std::string output = ::testing::internal::GetCapturedStdout();
EXPECT_STREQ(output.substr(0,16).c_str(), "Total wall time:");
EXPECT_THAT(output, HasSubstr("Total wall time:"));
if (verbose) std::cout << output;
lmp = nullptr;
}
};
TEST_F(LAMMPS_properties, get_mpi_comm) {
int f_comm = lammps_get_mpi_comm(lmp);
if (lammps_config_has_mpi_support())
EXPECT_GE(f_comm,0);
else
EXPECT_EQ(f_comm,-1);
TEST_F(LAMMPS_properties, version)
{
EXPECT_GE(20200824, lammps_version(lmp));
};
TEST_F(LAMMPS_properties, box) {
TEST_F(LAMMPS_properties, get_mpi_comm)
{
int f_comm = lammps_get_mpi_comm(lmp);
if (lammps_config_has_mpi_support())
EXPECT_GE(f_comm, 0);
else
EXPECT_EQ(f_comm, -1);
};
TEST_F(LAMMPS_properties, natoms)
{
std::string input = INPUT_DIR + PATH_SEP + "in.fourmol";
if (!verbose) ::testing::internal::CaptureStdout();
lammps_file(lmp, input.c_str());
if (!verbose) ::testing::internal::GetCapturedStdout();
EXPECT_EQ(lammps_get_natoms(lmp), 29);
};
TEST_F(LAMMPS_properties, thermo)
{
std::string input = INPUT_DIR + PATH_SEP + "in.fourmol";
if (!verbose) ::testing::internal::CaptureStdout();
lammps_file(lmp, input.c_str());
lammps_command(lmp, "run 2 post no");
if (!verbose) ::testing::internal::GetCapturedStdout();
EXPECT_EQ(lammps_get_thermo(lmp, "step"), 2);
EXPECT_EQ(lammps_get_thermo(lmp, "atoms"), 29);
EXPECT_DOUBLE_EQ(lammps_get_thermo(lmp, "vol"), 3375.0);
EXPECT_DOUBLE_EQ(lammps_get_thermo(lmp, "density"), 0.12211250945013695);
EXPECT_DOUBLE_EQ(lammps_get_thermo(lmp, "cellalpha"), 90.0);
};