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add tester for image flag resets when using change_box and read_data

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This commit is contained in:
Axel Kohlmeyer
2020-10-11 20:20:23 -04:00
parent 64b046e022
commit 7ef892cc4b
2 changed files with 285 additions and 0 deletions
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unittest/formats/test_image_flags.cpp Normal file
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/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
certain rights in this software. This software is distributed under
the GNU General Public License.
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include "atom.h"
#include "input.h"
#include "gmock/gmock.h"
#include "gtest/gtest.h"
#include <cmath>
#include <cstring>
#include <vector>
// whether to print verbose output (i.e. not capturing LAMMPS screen output).
bool verbose = false;
using LAMMPS_NS::utils::split_words;
namespace LAMMPS_NS {
using ::testing::Eq;
class PairImageFlagsTest : public ::testing::Test {
protected:
LAMMPS *lmp;
void SetUp() override
{
const char *args[] = {"ImageFlagsTest", "-log", "none", "-echo", "screen", "-nocite"};
char **argv = (char **)args;
int argc = sizeof(args) / sizeof(char *);
if (!verbose) ::testing::internal::CaptureStdout();
lmp = new LAMMPS(argc, argv, MPI_COMM_WORLD);
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_NE(lmp, nullptr);
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("units real");
lmp->input->one("dimension 3");
lmp->input->one("region box block -2 2 -2 2 -2 2");
lmp->input->one("create_box 1 box");
lmp->input->one("create_atoms 1 single 0.0 0.0 0.0 units box");
lmp->input->one("create_atoms 1 single 1.9 -1.9 1.9999 units box");
lmp->input->one("pair_style zero 2.0");
lmp->input->one("pair_coeff * *");
lmp->input->one("mass * 1.0");
lmp->input->one("set atom 1 image -1 2 3");
lmp->input->one("set atom 2 image -2 1 -1");
lmp->input->one("write_data test_image_flags.data");
if (!verbose) ::testing::internal::GetCapturedStdout();
}
void TearDown() override
{
if (!verbose) ::testing::internal::CaptureStdout();
delete lmp;
if (!verbose) ::testing::internal::GetCapturedStdout();
remove("test_image_flags.data");
}
};
TEST_F(PairImageFlagsTest, change_box)
{
auto image = lmp->atom->image;
int imx = (image[0] & IMGMASK) - IMGMAX;
int imy = (image[0] >> IMGBITS & IMGMASK) - IMGMAX;
int imz = (image[0] >> IMG2BITS) - IMGMAX;
ASSERT_EQ(imx,-1);
ASSERT_EQ(imy,2);
ASSERT_EQ(imz,3);
imx = (image[1] & IMGMASK) - IMGMAX;
imy = (image[1] >> IMGBITS & IMGMASK) - IMGMAX;
imz = (image[1] >> IMG2BITS) - IMGMAX;
ASSERT_EQ(imx,-2);
ASSERT_EQ(imy,1);
ASSERT_EQ(imz,-1);
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("change_box all boundary f p p");
if (!verbose) ::testing::internal::GetCapturedStdout();
image = lmp->atom->image;
imx = (image[0] & IMGMASK) - IMGMAX;
imy = (image[0] >> IMGBITS & IMGMASK) - IMGMAX;
imz = (image[0] >> IMG2BITS) - IMGMAX;
ASSERT_EQ(imx,0);
ASSERT_EQ(imy,2);
ASSERT_EQ(imz,3);
imx = (image[1] & IMGMASK) - IMGMAX;
imy = (image[1] >> IMGBITS & IMGMASK) - IMGMAX;
imz = (image[1] >> IMG2BITS) - IMGMAX;
ASSERT_EQ(imx,0);
ASSERT_EQ(imy,1);
ASSERT_EQ(imz,-1);
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("change_box all boundary f s p");
if (!verbose) ::testing::internal::GetCapturedStdout();
image = lmp->atom->image;
imx = (image[0] & IMGMASK) - IMGMAX;
imy = (image[0] >> IMGBITS & IMGMASK) - IMGMAX;
imz = (image[0] >> IMG2BITS) - IMGMAX;
ASSERT_EQ(imx,0);
ASSERT_EQ(imy,0);
ASSERT_EQ(imz,3);
imx = (image[1] & IMGMASK) - IMGMAX;
imy = (image[1] >> IMGBITS & IMGMASK) - IMGMAX;
imz = (image[1] >> IMG2BITS) - IMGMAX;
ASSERT_EQ(imx,0);
ASSERT_EQ(imy,0);
ASSERT_EQ(imz,-1);
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("change_box all boundary p p m");
if (!verbose) ::testing::internal::GetCapturedStdout();
image = lmp->atom->image;
imx = (image[0] & IMGMASK) - IMGMAX;
imy = (image[0] >> IMGBITS & IMGMASK) - IMGMAX;
imz = (image[0] >> IMG2BITS) - IMGMAX;
ASSERT_EQ(imx,0);
ASSERT_EQ(imy,0);
ASSERT_EQ(imz,0);
imx = (image[1] & IMGMASK) - IMGMAX;
imy = (image[1] >> IMGBITS & IMGMASK) - IMGMAX;
imz = (image[1] >> IMG2BITS) - IMGMAX;
ASSERT_EQ(imx,0);
ASSERT_EQ(imy,0);
ASSERT_EQ(imz,0);
}
TEST_F(PairImageFlagsTest, read_data)
{
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("clear");
lmp->input->one("units real");
lmp->input->one("dimension 3");
lmp->input->one("boundary p p p");
lmp->input->one("pair_style zero 2.0");
lmp->input->one("read_data test_image_flags.data");
if (!verbose) ::testing::internal::GetCapturedStdout();
auto image = lmp->atom->image;
int imx = (image[0] & IMGMASK) - IMGMAX;
int imy = (image[0] >> IMGBITS & IMGMASK) - IMGMAX;
int imz = (image[0] >> IMG2BITS) - IMGMAX;
ASSERT_EQ(imx,-1);
ASSERT_EQ(imy,2);
ASSERT_EQ(imz,3);
imx = (image[1] & IMGMASK) - IMGMAX;
imy = (image[1] >> IMGBITS & IMGMASK) - IMGMAX;
imz = (image[1] >> IMG2BITS) - IMGMAX;
ASSERT_EQ(imx,-2);
ASSERT_EQ(imy,1);
ASSERT_EQ(imz,-1);
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("clear");
lmp->input->one("units real");
lmp->input->one("dimension 3");
lmp->input->one("boundary f p p");
lmp->input->one("pair_style zero 2.0");
lmp->input->one("read_data test_image_flags.data");
if (!verbose) ::testing::internal::GetCapturedStdout();
image = lmp->atom->image;
imx = (image[0] & IMGMASK) - IMGMAX;
imy = (image[0] >> IMGBITS & IMGMASK) - IMGMAX;
imz = (image[0] >> IMG2BITS) - IMGMAX;
ASSERT_EQ(imx,0);
ASSERT_EQ(imy,2);
ASSERT_EQ(imz,3);
imx = (image[1] & IMGMASK) - IMGMAX;
imy = (image[1] >> IMGBITS & IMGMASK) - IMGMAX;
imz = (image[1] >> IMG2BITS) - IMGMAX;
ASSERT_EQ(imx,0);
ASSERT_EQ(imy,1);
ASSERT_EQ(imz,-1);
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("clear");
lmp->input->one("units real");
lmp->input->one("dimension 3");
lmp->input->one("boundary p s p");
lmp->input->one("pair_style zero 2.0");
lmp->input->one("read_data test_image_flags.data");
if (!verbose) ::testing::internal::GetCapturedStdout();
image = lmp->atom->image;
imx = (image[0] & IMGMASK) - IMGMAX;
imy = (image[0] >> IMGBITS & IMGMASK) - IMGMAX;
imz = (image[0] >> IMG2BITS) - IMGMAX;
ASSERT_EQ(imx,-1);
ASSERT_EQ(imy,0);
ASSERT_EQ(imz,3);
imx = (image[1] & IMGMASK) - IMGMAX;
imy = (image[1] >> IMGBITS & IMGMASK) - IMGMAX;
imz = (image[1] >> IMG2BITS) - IMGMAX;
ASSERT_EQ(imx,-2);
ASSERT_EQ(imy,0);
ASSERT_EQ(imz,-1);
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("clear");
lmp->input->one("units real");
lmp->input->one("dimension 3");
lmp->input->one("boundary p p m");
lmp->input->one("pair_style zero 2.0");
lmp->input->one("read_data test_image_flags.data");
if (!verbose) ::testing::internal::GetCapturedStdout();
image = lmp->atom->image;
imx = (image[0] & IMGMASK) - IMGMAX;
imy = (image[0] >> IMGBITS & IMGMASK) - IMGMAX;
imz = (image[0] >> IMG2BITS) - IMGMAX;
ASSERT_EQ(imx,-1);
ASSERT_EQ(imy,2);
ASSERT_EQ(imz,0);
imx = (image[1] & IMGMASK) - IMGMAX;
imy = (image[1] >> IMGBITS & IMGMASK) - IMGMAX;
imz = (image[1] >> IMG2BITS) - IMGMAX;
ASSERT_EQ(imx,-2);
ASSERT_EQ(imy,1);
ASSERT_EQ(imz,0);
}
} // namespace LAMMPS_NS
int main(int argc, char **argv)
{
MPI_Init(&argc, &argv);
::testing::InitGoogleMock(&argc, argv);
// handle arguments passed via environment variable
if (const char *var = getenv("TEST_ARGS")) {
std::vector<std::string> env = split_words(var);
for (auto arg : env) {
if (arg == "-v") {
verbose = true;
}
}
}
if ((argc > 1) && (strcmp(argv[1], "-v") == 0)) verbose = true;
int rv = RUN_ALL_TESTS();
MPI_Finalize();
return rv;
}