276 lines
9.6 KiB
C++
276 lines
9.6 KiB
C++
/* ----------------------------------------------------------------------
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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 "gmock/gmock.h"
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#include "gtest/gtest.h"
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#include "fmt/format.h"
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#include "utils.h"
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#include "../testing/core.h"
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#include "../testing/systems/melt.h"
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#include "../testing/utils.h"
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char * BINARY2TXT_BINARY = nullptr;
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class DumpCustomTest : public MeltTest {
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};
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TEST_F(DumpCustomTest, run1)
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{
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auto dump_file = "dump_custom_run1.melt";
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auto fields = "id type proc procp1 mass x y z ix iy iz xs ys zs xu yu zu xsu ysu zsu vx vy vz fx fy fz";
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if (!verbose) ::testing::internal::CaptureStdout();
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command(fmt::format("dump id all custom 1 {} {}", dump_file, fields));
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command("dump_modify id units yes");
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command("run 1");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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ASSERT_FILE_EXISTS(dump_file);
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auto lines = read_lines(dump_file);
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ASSERT_EQ(lines.size(), 84);
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ASSERT_STREQ(lines[6].c_str(), "ITEM: BOX BOUNDS pp pp pp");
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ASSERT_EQ(utils::split_words(lines[7]).size(), 2);
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ASSERT_STREQ(lines[10].c_str(), fmt::format("ITEM: ATOMS {}", fields).c_str());
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ASSERT_EQ(utils::split_words(lines[11]).size(), 26);
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delete_file(dump_file);
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}
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TEST_F(DumpCustomTest, thresh_run0)
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{
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auto dump_file = "dump_custom_thresh_run0.melt";
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auto fields = "id type x y z";
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if (!verbose) ::testing::internal::CaptureStdout();
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command(fmt::format("dump id all custom 1 {} {}", dump_file, fields));
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command("dump_modify id units yes thresh x < 1 thresh y < 1 thresh z < 1");
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command("run 0");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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ASSERT_FILE_EXISTS(dump_file);
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auto lines = read_lines(dump_file);
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ASSERT_EQ(lines.size(), 15);
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ASSERT_STREQ(lines[6].c_str(), "ITEM: BOX BOUNDS pp pp pp");
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ASSERT_EQ(utils::split_words(lines[7]).size(), 2);
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ASSERT_STREQ(lines[10].c_str(), fmt::format("ITEM: ATOMS {}", fields).c_str());
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ASSERT_EQ(utils::split_words(lines[11]).size(), 5);
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delete_file(dump_file);
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}
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TEST_F(DumpCustomTest, compute_run0)
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{
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auto dump_file = "dump_custom_compute_run0.melt";
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auto fields = "id type x y z c_comp[1] c_comp[2] c_comp[3]";
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if (!verbose) ::testing::internal::CaptureStdout();
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command("compute comp all property/atom x y z");
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command(fmt::format("dump id all custom 1 {} {}", dump_file, fields));
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command("dump_modify id units yes");
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command("run 0");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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ASSERT_FILE_EXISTS(dump_file);
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auto lines = read_lines(dump_file);
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ASSERT_EQ(lines.size(), 43);
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ASSERT_STREQ(lines[6].c_str(), "ITEM: BOX BOUNDS pp pp pp");
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ASSERT_EQ(utils::split_words(lines[7]).size(), 2);
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ASSERT_STREQ(lines[10].c_str(), fmt::format("ITEM: ATOMS {}", fields).c_str());
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ASSERT_EQ(utils::split_words(lines[11]).size(), 8);
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delete_file(dump_file);
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}
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TEST_F(DumpCustomTest, fix_run0)
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{
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auto dump_file = "dump_custom_compute_run0.melt";
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auto fields = "id x y z f_numdiff[1] f_numdiff[2] f_numdiff[3]";
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if (!verbose) ::testing::internal::CaptureStdout();
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command("fix numdiff all numdiff 1 0.0001");
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command(fmt::format("dump id all custom 1 {} {}", dump_file, fields));
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command("dump_modify id units yes");
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command("run 0");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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ASSERT_FILE_EXISTS(dump_file);
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auto lines = read_lines(dump_file);
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ASSERT_EQ(lines.size(), 43);
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ASSERT_STREQ(lines[6].c_str(), "ITEM: BOX BOUNDS pp pp pp");
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ASSERT_EQ(utils::split_words(lines[7]).size(), 2);
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ASSERT_STREQ(lines[10].c_str(), fmt::format("ITEM: ATOMS {}", fields).c_str());
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ASSERT_EQ(utils::split_words(lines[11]).size(), 7);
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delete_file(dump_file);
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}
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TEST_F(DumpCustomTest, custom_run0)
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{
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auto dump_file = "dump_custom_custom_run0.melt";
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auto fields = "id x y z i_flag1 d_flag2";
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if (!verbose) ::testing::internal::CaptureStdout();
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command("fix prop all property/atom i_flag1 d_flag2");
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command("compute 1 all property/atom i_flag1 d_flag2");
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command(fmt::format("dump id all custom 1 {} {}", dump_file, fields));
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command("dump_modify id units yes");
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command("run 0");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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ASSERT_FILE_EXISTS(dump_file);
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auto lines = read_lines(dump_file);
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ASSERT_EQ(lines.size(), 43);
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ASSERT_STREQ(lines[6].c_str(), "ITEM: BOX BOUNDS pp pp pp");
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ASSERT_EQ(utils::split_words(lines[7]).size(), 2);
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ASSERT_STREQ(lines[10].c_str(), fmt::format("ITEM: ATOMS {}", fields).c_str());
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ASSERT_EQ(utils::split_words(lines[11]).size(), 6);
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delete_file(dump_file);
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}
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TEST_F(DumpCustomTest, binary_run1)
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{
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auto text_file = "dump_custom_text_run1.melt";
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auto binary_file = "dump_custom_binary_run1.melt.bin";
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auto converted_file = fmt::format("{}.txt", binary_file);
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auto fields = "id type proc x y z ix iy iz xs ys zs xu yu zu xsu ysu zsu vx vy vz fx fy fz";
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if(!BINARY2TXT_BINARY) GTEST_SKIP();
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if (!verbose) ::testing::internal::CaptureStdout();
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command(fmt::format("dump id0 all custom 1 {} {}", text_file, fields));
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command(fmt::format("dump id1 all custom 1 {} {}", binary_file, fields));
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command("dump_modify id0 units yes");
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command("dump_modify id1 units yes");
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command("run 1");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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ASSERT_FILE_EXISTS(text_file);
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ASSERT_FILE_EXISTS(binary_file);
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if (!verbose) ::testing::internal::CaptureStdout();
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std::string cmdline = fmt::format("{} {}", BINARY2TXT_BINARY, binary_file);
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system(cmdline.c_str());
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if (!verbose) ::testing::internal::GetCapturedStdout();
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ASSERT_FILE_EXISTS(converted_file);
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ASSERT_FILE_EQUAL(text_file, converted_file);
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delete_file(text_file);
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delete_file(binary_file);
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delete_file(converted_file);
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}
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TEST_F(DumpCustomTest, triclinic_run1)
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{
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auto dump_file = "dump_custom_tri_run1.melt";
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auto fields = "id type proc x y z ix iy iz xs ys zs xu yu zu xsu ysu zsu vx vy vz fx fy fz";
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if (!verbose) ::testing::internal::CaptureStdout();
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command("change_box all triclinic");
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command(fmt::format("dump id all custom 1 {} {}", dump_file, fields));
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command("dump_modify id units yes");
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command("run 1");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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ASSERT_FILE_EXISTS(dump_file);
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auto lines = read_lines(dump_file);
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ASSERT_STREQ(lines[6].c_str(), "ITEM: BOX BOUNDS xy xz yz pp pp pp");
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ASSERT_EQ(utils::split_words(lines[7]).size(), 3);
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ASSERT_EQ(lines.size(), 84);
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delete_file(dump_file);
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}
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TEST_F(DumpCustomTest, binary_triclinic_run1)
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{
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auto text_file = "dump_custom_tri_text_run1.melt";
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auto binary_file = "dump_custom_tri_binary_run1.melt.bin";
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auto converted_file = fmt::format("{}.txt", binary_file);
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auto fields = "id type proc x y z xs ys zs xsu ysu zsu vx vy vz fx fy fz";
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if(!BINARY2TXT_BINARY) GTEST_SKIP();
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if (!verbose) ::testing::internal::CaptureStdout();
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command("change_box all triclinic");
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command(fmt::format("dump id0 all custom 1 {} {}", text_file, fields));
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command(fmt::format("dump id1 all custom 1 {} {}", binary_file, fields));
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command("dump_modify id0 units yes");
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command("dump_modify id1 units yes");
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command("run 1");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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ASSERT_FILE_EXISTS(text_file);
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ASSERT_FILE_EXISTS(binary_file);
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if (!verbose) ::testing::internal::CaptureStdout();
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std::string cmdline = fmt::format("{} {}", BINARY2TXT_BINARY, binary_file);
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system(cmdline.c_str());
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if (!verbose) ::testing::internal::GetCapturedStdout();
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ASSERT_FILE_EXISTS(converted_file);
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ASSERT_FILE_EQUAL(text_file, converted_file);
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delete_file(text_file);
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delete_file(binary_file);
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delete_file(converted_file);
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}
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TEST_F(DumpCustomTest, with_variable_run1)
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{
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auto dump_file = "dump_custom_with_variable_run1.melt";
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if (!verbose) ::testing::internal::CaptureStdout();
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command("compute 1 all property/atom proc");
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command("variable p atom (c_1%10)+1");
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command(fmt::format("dump id all custom 1 {} id type x y z v_p", dump_file));
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command("dump_modify id units yes");
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command("run 1");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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ASSERT_FILE_EXISTS(dump_file);
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auto lines = read_lines(dump_file);
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ASSERT_EQ(lines.size(), 84);
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ASSERT_STREQ(lines[6].c_str(), "ITEM: BOX BOUNDS pp pp pp");
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ASSERT_EQ(utils::split_words(lines[7]).size(), 2);
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ASSERT_STREQ(lines[10].c_str(), "ITEM: ATOMS id type x y z v_p");
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ASSERT_EQ(utils::split_words(lines[11]).size(), 6);
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delete_file(dump_file);
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}
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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 = utils::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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BINARY2TXT_BINARY = getenv("BINARY2TXT_BINARY");
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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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