Add tests for dump cfg/gz (5faca3ae) · Commits · 郑智淋 / lammps

unittest/formats/CMakeLists.txt

+6 −0

Original line number	Diff line number	Diff line
		@@ -44,6 +44,12 @@ if (PKG_COMPRESS)
		set_tests_properties(DumpCustomGZ PROPERTIES ENVIRONMENT "LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS_DIR}")
		set_tests_properties(DumpCustomGZ PROPERTIES ENVIRONMENT "GZIP_BINARY=${GZIP_BINARY}")

		add_executable(test_dump_cfg_gz test_dump_cfg_gz.cpp)
		target_link_libraries(test_dump_cfg_gz PRIVATE lammps GTest::GMock GTest::GTest)
		add_test(NAME DumpCfgGZ COMMAND test_dump_cfg_gz WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR})
		set_tests_properties(DumpCfgGZ PROPERTIES ENVIRONMENT "LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS_DIR}")
		set_tests_properties(DumpCfgGZ PROPERTIES ENVIRONMENT "GZIP_BINARY=${GZIP_BINARY}")

		find_program(ZSTD_BINARY NAMES zstd)

		if (ZSTD_BINARY)

unittest/formats/test_dump_cfg.cpp

+17 −17

Original line number	Diff line number	Diff line
		@@ -46,7 +46,7 @@ TEST_F(DumpCfgTest, invalid_options)

		TEST_F(DumpCfgTest, require_multifile)
		{
		auto dump_file = "dump_melt_run.cfg";
		auto dump_file = "dump.melt.cfg_run.cfg";
		auto fields = "mass type xs ys zs id proc procp1 x y z ix iy iz xu yu zu xsu ysu zsu vx vy vz fx fy fz";

		if (!verbose) ::testing::internal::CaptureStdout();
		@@ -60,58 +60,58 @@ TEST_F(DumpCfgTest, require_multifile)

		TEST_F(DumpCfgTest, run0)
		{
		auto dump_file = "dump_cfg_run*.melt";
		auto dump_file = "dump_cfg_run*.melt.cfg";
		auto fields = "mass type xs ys zs id proc procp1 x y z ix iy iz vx vy vz fx fy fz";

		generate_dump(dump_file, fields, "", 0);

		ASSERT_FILE_EXISTS("dump_cfg_run0.melt");
		auto lines = read_lines("dump_cfg_run0.melt");
		ASSERT_FILE_EXISTS("dump_cfg_run0.melt.cfg");
		auto lines = read_lines("dump_cfg_run0.melt.cfg");
		ASSERT_EQ(lines.size(), 124);
		ASSERT_THAT(lines[0], Eq("Number of particles = 32"));
		delete_file("dump_cfg_run0.melt");
		delete_file("dump_cfg_run0.melt.cfg");
		}

		TEST_F(DumpCfgTest, unwrap_run0)
		{
		auto dump_file = "dump_cfg_unwrap_run*.melt";
		auto dump_file = "dump_cfg_unwrap_run*.melt.cfg";
		auto fields = "mass type xsu ysu zsu id proc procp1 x y z ix iy iz vx vy vz fx fy fz";

		generate_dump(dump_file, fields, "", 0);

		ASSERT_FILE_EXISTS("dump_cfg_unwrap_run0.melt");
		auto lines = read_lines("dump_cfg_unwrap_run0.melt");
		ASSERT_FILE_EXISTS("dump_cfg_unwrap_run0.melt.cfg");
		auto lines = read_lines("dump_cfg_unwrap_run0.melt.cfg");
		ASSERT_EQ(lines.size(), 124);
		ASSERT_THAT(lines[0], Eq("Number of particles = 32"));
		delete_file("dump_cfg_unwrap_run0.melt");
		delete_file("dump_cfg_unwrap_run0.melt.cfg");
		}

		TEST_F(DumpCfgTest, no_buffer_run0)
		{
		auto dump_file = "dump_cfg_no_buffer_run*.melt";
		auto dump_file = "dump_cfg_no_buffer_run*.melt.cfg";
		auto fields = "mass type xsu ysu zsu id proc procp1 x y z ix iy iz vx vy vz fx fy fz";

		generate_dump(dump_file, fields, "buffer no", 0);

		ASSERT_FILE_EXISTS("dump_cfg_no_buffer_run0.melt");
		auto lines = read_lines("dump_cfg_no_buffer_run0.melt");
		ASSERT_FILE_EXISTS("dump_cfg_no_buffer_run0.melt.cfg");
		auto lines = read_lines("dump_cfg_no_buffer_run0.melt.cfg");
		ASSERT_EQ(lines.size(), 124);
		ASSERT_THAT(lines[0], Eq("Number of particles = 32"));
		delete_file("dump_cfg_no_buffer_run0.melt");
		delete_file("dump_cfg_no_buffer_run0.melt.cfg");
		}

		TEST_F(DumpCfgTest, no_unwrap_no_buffer_run0)
		{
		auto dump_file = "dump_cfg_no_unwrap_no_buffer_run*.melt";
		auto dump_file = "dump_cfg_no_unwrap_no_buffer_run*.melt.cfg";
		auto fields = "mass type xs ys zs id proc procp1 x y z ix iy iz vx vy vz fx fy fz";

		generate_dump(dump_file, fields, "buffer no", 0);

		ASSERT_FILE_EXISTS("dump_cfg_no_unwrap_no_buffer_run0.melt");
		auto lines = read_lines("dump_cfg_no_unwrap_no_buffer_run0.melt");
		ASSERT_FILE_EXISTS("dump_cfg_no_unwrap_no_buffer_run0.melt.cfg");
		auto lines = read_lines("dump_cfg_no_unwrap_no_buffer_run0.melt.cfg");
		ASSERT_EQ(lines.size(), 124);
		ASSERT_THAT(lines[0], Eq("Number of particles = 32"));
		delete_file("dump_cfg_no_unwrap_no_buffer_run0.melt");
		delete_file("dump_cfg_no_unwrap_no_buffer_run0.melt.cfg");
		}

unittest/formats/test_dump_cfg_gz.cpp

0 → 100644

+129 −0

Original line number	Diff line number	Diff line
		/* ----------------------------------------------------------------------
		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 "gtest/gtest.h"
		#include "gmock/gmock.h"
		#include "fmt/format.h"
		#include "utils.h"
		#include "../testing/core.h"
		#include "../testing/systems/melt.h"
		#include "../testing/utils.h"

		char * GZIP_BINARY = nullptr;

		using ::testing::Eq;

		class DumpCfgGZTest : public MeltTest {
		std::string dump_style = "cfg";
		public:
		void generate_text_and_compressed_dump(std::string text_file, std::string compressed_file, std::string compression_style,
		std::string fields, std::string dump_modify_options, int ntimesteps) {
		if (!verbose) ::testing::internal::CaptureStdout();
		command(fmt::format("dump id0 all {} 1 {} {}", dump_style, text_file, fields));
		command(fmt::format("dump id1 all {} 1 {} {}", compression_style, compressed_file, fields));

		if (!dump_modify_options.empty()) {
		command(fmt::format("dump_modify id0 {}", dump_modify_options));
		command(fmt::format("dump_modify id1 {}", dump_modify_options));
		}

		command(fmt::format("run {}", ntimesteps));
		if (!verbose) ::testing::internal::GetCapturedStdout();
		}

		std::string convert_compressed_to_text(std::string compressed_file) {
		if (!verbose) ::testing::internal::CaptureStdout();
		std::string converted_file = compressed_file.substr(0, compressed_file.find_last_of('.'));
		std::string cmdline = fmt::format("{} -d -c {} > {}", GZIP_BINARY, compressed_file, converted_file);
		system(cmdline.c_str());
		if (!verbose) ::testing::internal::GetCapturedStdout();
		return converted_file;
		}
		};

		TEST_F(DumpCfgGZTest, compressed_run0)
		{
		if(!GZIP_BINARY) GTEST_SKIP();

		auto text_files = "dump_cfg_gz_text_run*.melt.cfg";
		auto compressed_files = "dump_cfg_gz_compressed_run*.melt.cfg.gz";
		auto text_file = "dump_cfg_gz_text_run0.melt.cfg";
		auto compressed_file = "dump_cfg_gz_compressed_run0.melt.cfg.gz";
		auto fields = "mass type xs ys zs id proc procp1 x y z ix iy iz vx vy vz fx fy fz";

		generate_text_and_compressed_dump(text_files, compressed_files, "cfg/gz", fields, "", 0);

		TearDown();

		ASSERT_FILE_EXISTS(text_file);
		ASSERT_FILE_EXISTS(compressed_file);

		auto converted_file = convert_compressed_to_text(compressed_file);

		ASSERT_FILE_EXISTS(converted_file);
		ASSERT_FILE_EQUAL(text_file, converted_file);
		delete_file(text_file);
		delete_file(compressed_file);
		delete_file(converted_file);
		}


		TEST_F(DumpCfgGZTest, compressed_unwrap_run0)
		{
		if(!GZIP_BINARY) GTEST_SKIP();

		auto text_files = "dump_cfg_unwrap_gz_text_run*.melt.cfg";
		auto compressed_files = "dump_cfg_unwrap_gz_compressed_run*.melt.cfg.gz";
		auto text_file = "dump_cfg_unwrap_gz_text_run0.melt.cfg";
		auto compressed_file = "dump_cfg_unwrap_gz_compressed_run0.melt.cfg.gz";
		auto fields = "mass type xsu ysu zsu id proc procp1 x y z ix iy iz vx vy vz fx fy fz";

		generate_text_and_compressed_dump(text_files, compressed_files, "cfg/gz", fields, "", 0);

		TearDown();

		ASSERT_FILE_EXISTS(text_file);
		ASSERT_FILE_EXISTS(compressed_file);

		auto converted_file = convert_compressed_to_text(compressed_file);

		ASSERT_FILE_EXISTS(converted_file);
		ASSERT_FILE_EQUAL(text_file, converted_file);
		delete_file(text_file);
		delete_file(compressed_file);
		delete_file(converted_file);
		}

		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 = utils::split_words(var);
		for (auto arg : env) {
		if (arg == "-v") {
		verbose = true;
		}
		}
		}

		GZIP_BINARY = getenv("GZIP_BINARY");

		if ((argc > 1) && (strcmp(argv[1], "-v") == 0)) verbose = true;

		int rv = RUN_ALL_TESTS();
		MPI_Finalize();
		return rv;
		}

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