add tester for image flag resets when using change_box and read_data
This commit is contained in:
Axel Kohlmeyer
@ -3,6 +3,10 @@ add_executable(test_atom_styles test_atom_styles.cpp)
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target_link_libraries(test_atom_styles PRIVATE lammps GTest::GMock GTest::GTest)
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add_test(NAME AtomStyles COMMAND test_atom_styles WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR})
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add_executable(test_image_flags test_image_flags.cpp)
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target_link_libraries(test_image_flags PRIVATE lammps GTest::GMock GTest::GTest)
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add_test(NAME ImageFlags COMMAND test_image_flags WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR})
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add_executable(test_pair_unit_convert test_pair_unit_convert.cpp)
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target_link_libraries(test_pair_unit_convert PRIVATE lammps GTest::GMock GTest::GTest)
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add_test(NAME PairUnitConvert COMMAND test_pair_unit_convert WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR})
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281
unittest/formats/test_image_flags.cpp
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281
unittest/formats/test_image_flags.cpp
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@ -0,0 +1,281 @@
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/* ----------------------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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http://lammps.sandia.gov, 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 <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 PairImageFlagsTest : public ::testing::Test {
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protected:
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LAMMPS *lmp;
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void SetUp() override
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{
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const char *args[] = {"ImageFlagsTest", "-log", "none", "-echo", "screen", "-nocite"};
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char **argv = (char **)args;
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int argc = sizeof(args) / sizeof(char *);
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if (!verbose) ::testing::internal::CaptureStdout();
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lmp = new LAMMPS(argc, argv, MPI_COMM_WORLD);
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if (!verbose) ::testing::internal::GetCapturedStdout();
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ASSERT_NE(lmp, nullptr);
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if (!verbose) ::testing::internal::CaptureStdout();
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lmp->input->one("units real");
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lmp->input->one("dimension 3");
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lmp->input->one("region box block -2 2 -2 2 -2 2");
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lmp->input->one("create_box 1 box");
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lmp->input->one("create_atoms 1 single 0.0 0.0 0.0 units box");
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lmp->input->one("create_atoms 1 single 1.9 -1.9 1.9999 units box");
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lmp->input->one("pair_style zero 2.0");
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lmp->input->one("pair_coeff * *");
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lmp->input->one("mass * 1.0");
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lmp->input->one("set atom 1 image -1 2 3");
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lmp->input->one("set atom 2 image -2 1 -1");
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lmp->input->one("write_data test_image_flags.data");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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}
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void TearDown() override
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{
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if (!verbose) ::testing::internal::CaptureStdout();
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delete lmp;
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if (!verbose) ::testing::internal::GetCapturedStdout();
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remove("test_image_flags.data");
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}
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};
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TEST_F(PairImageFlagsTest, 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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if (!verbose) ::testing::internal::CaptureStdout();
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lmp->input->one("change_box all boundary f p p");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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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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if (!verbose) ::testing::internal::CaptureStdout();
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lmp->input->one("change_box all boundary f s p");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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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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if (!verbose) ::testing::internal::CaptureStdout();
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lmp->input->one("change_box all boundary p p m");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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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(PairImageFlagsTest, read_data)
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{
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if (!verbose) ::testing::internal::CaptureStdout();
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lmp->input->one("clear");
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lmp->input->one("units real");
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lmp->input->one("dimension 3");
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lmp->input->one("boundary p p p");
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lmp->input->one("pair_style zero 2.0");
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lmp->input->one("read_data test_image_flags.data");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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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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if (!verbose) ::testing::internal::CaptureStdout();
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lmp->input->one("clear");
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lmp->input->one("units real");
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lmp->input->one("dimension 3");
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lmp->input->one("boundary f p p");
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lmp->input->one("pair_style zero 2.0");
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lmp->input->one("read_data test_image_flags.data");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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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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if (!verbose) ::testing::internal::CaptureStdout();
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lmp->input->one("clear");
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lmp->input->one("units real");
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lmp->input->one("dimension 3");
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lmp->input->one("boundary p s p");
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lmp->input->one("pair_style zero 2.0");
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lmp->input->one("read_data test_image_flags.data");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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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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if (!verbose) ::testing::internal::CaptureStdout();
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lmp->input->one("clear");
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lmp->input->one("units real");
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lmp->input->one("dimension 3");
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lmp->input->one("boundary p p m");
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lmp->input->one("pair_style zero 2.0");
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lmp->input->one("read_data test_image_flags.data");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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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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