forked from lijiext/lammps
274 lines
7.2 KiB
C++
274 lines
7.2 KiB
C++
/* ----------------------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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https://www.lammps.org/ Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#include "atom.h"
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#include "input.h"
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#include "gmock/gmock.h"
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#include "gtest/gtest.h"
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#include "../testing/core.h"
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#include <cmath>
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#include <cstring>
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#include <vector>
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// whether to print verbose output (i.e. not capturing LAMMPS screen output).
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bool verbose = false;
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using LAMMPS_NS::utils::split_words;
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namespace LAMMPS_NS {
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using ::testing::Eq;
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class ImageFlagsTest : public LAMMPSTest {
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protected:
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void SetUp() override
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{
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testbinary = "ImageFlagsTest";
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LAMMPSTest::SetUp();
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ASSERT_NE(lmp, nullptr);
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BEGIN_HIDE_OUTPUT();
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command("units real");
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command("dimension 3");
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command("region box block -2 2 -2 2 -2 2");
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command("create_box 1 box");
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command("create_atoms 1 single 0.0 0.0 0.0 units box");
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command("create_atoms 1 single 1.9 -1.9 1.9999 units box");
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command("pair_style zero 2.0");
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command("pair_coeff * *");
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command("mass * 1.0");
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command("set atom 1 image -1 2 3");
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command("set atom 2 image -2 1 -1");
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command("write_data test_image_flags.data");
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END_HIDE_OUTPUT();
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}
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void TearDown() override
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{
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LAMMPSTest::TearDown();
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remove("test_image_flags.data");
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}
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};
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TEST_F(ImageFlagsTest, change_box)
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{
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auto image = lmp->atom->image;
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int imx = (image[0] & IMGMASK) - IMGMAX;
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int imy = (image[0] >> IMGBITS & IMGMASK) - IMGMAX;
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int imz = (image[0] >> IMG2BITS) - IMGMAX;
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ASSERT_EQ(imx, -1);
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ASSERT_EQ(imy, 2);
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ASSERT_EQ(imz, 3);
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imx = (image[1] & IMGMASK) - IMGMAX;
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imy = (image[1] >> IMGBITS & IMGMASK) - IMGMAX;
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imz = (image[1] >> IMG2BITS) - IMGMAX;
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ASSERT_EQ(imx, -2);
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ASSERT_EQ(imy, 1);
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ASSERT_EQ(imz, -1);
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BEGIN_HIDE_OUTPUT();
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command("change_box all boundary f p p");
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END_HIDE_OUTPUT();
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image = lmp->atom->image;
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imx = (image[0] & IMGMASK) - IMGMAX;
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imy = (image[0] >> IMGBITS & IMGMASK) - IMGMAX;
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imz = (image[0] >> IMG2BITS) - IMGMAX;
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ASSERT_EQ(imx, 0);
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ASSERT_EQ(imy, 2);
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ASSERT_EQ(imz, 3);
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imx = (image[1] & IMGMASK) - IMGMAX;
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imy = (image[1] >> IMGBITS & IMGMASK) - IMGMAX;
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imz = (image[1] >> IMG2BITS) - IMGMAX;
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ASSERT_EQ(imx, 0);
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ASSERT_EQ(imy, 1);
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ASSERT_EQ(imz, -1);
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BEGIN_HIDE_OUTPUT();
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command("change_box all boundary f s p");
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END_HIDE_OUTPUT();
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image = lmp->atom->image;
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imx = (image[0] & IMGMASK) - IMGMAX;
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imy = (image[0] >> IMGBITS & IMGMASK) - IMGMAX;
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imz = (image[0] >> IMG2BITS) - IMGMAX;
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ASSERT_EQ(imx, 0);
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ASSERT_EQ(imy, 0);
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ASSERT_EQ(imz, 3);
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imx = (image[1] & IMGMASK) - IMGMAX;
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imy = (image[1] >> IMGBITS & IMGMASK) - IMGMAX;
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imz = (image[1] >> IMG2BITS) - IMGMAX;
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ASSERT_EQ(imx, 0);
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ASSERT_EQ(imy, 0);
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ASSERT_EQ(imz, -1);
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BEGIN_HIDE_OUTPUT();
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command("change_box all boundary p p m");
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END_HIDE_OUTPUT();
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image = lmp->atom->image;
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imx = (image[0] & IMGMASK) - IMGMAX;
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imy = (image[0] >> IMGBITS & IMGMASK) - IMGMAX;
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imz = (image[0] >> IMG2BITS) - IMGMAX;
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ASSERT_EQ(imx, 0);
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ASSERT_EQ(imy, 0);
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ASSERT_EQ(imz, 0);
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imx = (image[1] & IMGMASK) - IMGMAX;
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imy = (image[1] >> IMGBITS & IMGMASK) - IMGMAX;
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imz = (image[1] >> IMG2BITS) - IMGMAX;
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ASSERT_EQ(imx, 0);
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ASSERT_EQ(imy, 0);
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ASSERT_EQ(imz, 0);
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}
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TEST_F(ImageFlagsTest, read_data)
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{
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BEGIN_HIDE_OUTPUT();
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command("clear");
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command("units real");
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command("dimension 3");
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command("boundary p p p");
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command("pair_style zero 2.0");
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command("read_data test_image_flags.data");
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END_HIDE_OUTPUT();
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auto image = lmp->atom->image;
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int imx = (image[0] & IMGMASK) - IMGMAX;
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int imy = (image[0] >> IMGBITS & IMGMASK) - IMGMAX;
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int imz = (image[0] >> IMG2BITS) - IMGMAX;
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ASSERT_EQ(imx, -1);
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ASSERT_EQ(imy, 2);
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ASSERT_EQ(imz, 3);
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imx = (image[1] & IMGMASK) - IMGMAX;
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imy = (image[1] >> IMGBITS & IMGMASK) - IMGMAX;
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imz = (image[1] >> IMG2BITS) - IMGMAX;
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ASSERT_EQ(imx, -2);
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ASSERT_EQ(imy, 1);
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ASSERT_EQ(imz, -1);
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BEGIN_HIDE_OUTPUT();
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command("clear");
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command("units real");
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command("dimension 3");
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command("boundary f p p");
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command("pair_style zero 2.0");
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command("read_data test_image_flags.data");
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END_HIDE_OUTPUT();
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image = lmp->atom->image;
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imx = (image[0] & IMGMASK) - IMGMAX;
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imy = (image[0] >> IMGBITS & IMGMASK) - IMGMAX;
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imz = (image[0] >> IMG2BITS) - IMGMAX;
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ASSERT_EQ(imx, 0);
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ASSERT_EQ(imy, 2);
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ASSERT_EQ(imz, 3);
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imx = (image[1] & IMGMASK) - IMGMAX;
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imy = (image[1] >> IMGBITS & IMGMASK) - IMGMAX;
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imz = (image[1] >> IMG2BITS) - IMGMAX;
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ASSERT_EQ(imx, 0);
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ASSERT_EQ(imy, 1);
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ASSERT_EQ(imz, -1);
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BEGIN_HIDE_OUTPUT();
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command("clear");
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command("units real");
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command("dimension 3");
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command("boundary p s p");
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command("pair_style zero 2.0");
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command("read_data test_image_flags.data");
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END_HIDE_OUTPUT();
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image = lmp->atom->image;
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imx = (image[0] & IMGMASK) - IMGMAX;
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imy = (image[0] >> IMGBITS & IMGMASK) - IMGMAX;
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imz = (image[0] >> IMG2BITS) - IMGMAX;
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ASSERT_EQ(imx, -1);
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ASSERT_EQ(imy, 0);
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ASSERT_EQ(imz, 3);
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imx = (image[1] & IMGMASK) - IMGMAX;
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imy = (image[1] >> IMGBITS & IMGMASK) - IMGMAX;
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imz = (image[1] >> IMG2BITS) - IMGMAX;
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ASSERT_EQ(imx, -2);
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ASSERT_EQ(imy, 0);
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ASSERT_EQ(imz, -1);
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BEGIN_HIDE_OUTPUT();
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command("clear");
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command("units real");
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command("dimension 3");
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command("boundary p p m");
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command("pair_style zero 2.0");
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command("read_data test_image_flags.data");
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END_HIDE_OUTPUT();
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image = lmp->atom->image;
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imx = (image[0] & IMGMASK) - IMGMAX;
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imy = (image[0] >> IMGBITS & IMGMASK) - IMGMAX;
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imz = (image[0] >> IMG2BITS) - IMGMAX;
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ASSERT_EQ(imx, -1);
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ASSERT_EQ(imy, 2);
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ASSERT_EQ(imz, 0);
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imx = (image[1] & IMGMASK) - IMGMAX;
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imy = (image[1] >> IMGBITS & IMGMASK) - IMGMAX;
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imz = (image[1] >> IMG2BITS) - IMGMAX;
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ASSERT_EQ(imx, -2);
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ASSERT_EQ(imy, 1);
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ASSERT_EQ(imz, 0);
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}
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} // namespace LAMMPS_NS
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int main(int argc, char **argv)
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{
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MPI_Init(&argc, &argv);
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::testing::InitGoogleMock(&argc, argv);
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// handle arguments passed via environment variable
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if (const char *var = getenv("TEST_ARGS")) {
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std::vector<std::string> env = split_words(var);
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for (auto arg : env) {
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if (arg == "-v") {
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verbose = true;
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}
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}
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}
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if ((argc > 1) && (strcmp(argv[1], "-v") == 0)) verbose = true;
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int rv = RUN_ALL_TESTS();
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MPI_Finalize();
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return rv;
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}
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