Start tests for compressed dump styles (32aa3500) · Commits · 郑智淋 / lammps

src/COMPRESS/dump_atom_gz.cpp

+6 −6

Original line number	Diff line number	Diff line
		@@ -127,14 +127,14 @@ void DumpAtomGZ::write_header(bigint ndump)
		gzprintf(gzFp,BIGINT_FORMAT "\n",ndump);
		if (domain->triclinic == 0) {
		gzprintf(gzFp,"ITEM: BOX BOUNDS %s\n",boundstr);
		gzprintf(gzFp,"%g %g\n",boxxlo,boxxhi);
		gzprintf(gzFp,"%g %g\n",boxylo,boxyhi);
		gzprintf(gzFp,"%g %g\n",boxzlo,boxzhi);
		gzprintf(gzFp,"%-1.16e %-1.16e\n",boxxlo,boxxhi);
		gzprintf(gzFp,"%-1.16e %-1.16e\n",boxylo,boxyhi);
		gzprintf(gzFp,"%-1.16e %-1.16e\n",boxzlo,boxzhi);
		} else {
		gzprintf(gzFp,"ITEM: BOX BOUNDS xy xz yz %s\n",boundstr);
		gzprintf(gzFp,"%g %g %g\n",boxxlo,boxxhi,boxxy);
		gzprintf(gzFp,"%g %g %g\n",boxylo,boxyhi,boxxz);
		gzprintf(gzFp,"%g %g %g\n",boxzlo,boxzhi,boxyz);
		gzprintf(gzFp,"%-1.16e %-1.16e %-1.16e\n",boxxlo,boxxhi,boxxy);
		gzprintf(gzFp,"%-1.16e %-1.16e %-1.16e\n",boxylo,boxyhi,boxxz);
		gzprintf(gzFp,"%-1.16e %-1.16e %-1.16e\n",boxzlo,boxzhi,boxyz);
		}
		gzprintf(gzFp,"ITEM: ATOMS %s\n",columns);
		}

unittest/formats/CMakeLists.txt

+9 −0

Original line number	Diff line number	Diff line
		@@ -29,6 +29,15 @@ target_link_libraries(test_dump_atom PRIVATE lammps GTest::GMock GTest::GTest)
		add_test(NAME DumpAtom COMMAND test_dump_atom WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR})
		set_tests_properties(DumpAtom PROPERTIES ENVIRONMENT "LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS_DIR}")

		if (PKG_COMPRESS)
		find_program(GZIP_BINARY NAMES gzip REQUIRED)
		add_executable(test_dump_atom_gz test_dump_atom_gz.cpp)
		target_link_libraries(test_dump_atom_gz PRIVATE lammps GTest::GMock GTest::GTest)
		add_test(NAME DumpAtomGZ COMMAND test_dump_atom_gz WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR})
		set_tests_properties(DumpAtomGZ PROPERTIES ENVIRONMENT "LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS_DIR}")
		set_tests_properties(DumpAtomGZ PROPERTIES ENVIRONMENT "GZIP_BINARY=${GZIP_BINARY}")
		endif()

		add_executable(test_dump_custom test_dump_custom.cpp)
		target_link_libraries(test_dump_custom PRIVATE lammps GTest::GMock GTest::GTest)
		add_test(NAME DumpCustom COMMAND test_dump_custom WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR})

unittest/formats/test_dump_atom_gz.cpp

0 → 100644

+123 −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"

		#include <string>

		char * GZIP_BINARY = nullptr;

		using ::testing::Eq;

		class DumpAtomGZTest : public MeltTest {
		std::string dump_style = "atom";
		public:
		void enable_triclinic() {
		if (!verbose) ::testing::internal::CaptureStdout();
		command("change_box all triclinic");
		if (!verbose) ::testing::internal::GetCapturedStdout();
		}

		void generate_dump(std::string dump_file, std::string dump_modify_options, int ntimesteps) {
		if (!verbose) ::testing::internal::CaptureStdout();
		command(fmt::format("dump id all {} 1 {}", dump_style, dump_file));

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

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

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

		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;
		}
		};


		//-------------------------------------------------------------------------------------------------
		// GZ compressed files
		//-------------------------------------------------------------------------------------------------

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

		auto text_file = "dump_text_run0.melt";
		auto compressed_file = "dump_compressed_run0.melt.gz";

		generate_text_and_compressed_dump(text_file, compressed_file, "atom/gz", "", 0);

		ASSERT_FILE_EXISTS(text_file);
		ASSERT_FILE_EXISTS(compressed_file);

		auto converted_file = convert_compressed_to_text(compressed_file);

		ASSERT_THAT(converted_file, Eq("dump_compressed_run0.melt"));
		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;
		}

unittest/testing/core.h

+1 −0

Original line number	Diff line number	Diff line
		@@ -71,6 +71,7 @@ protected:
		{
		if (!verbose) ::testing::internal::CaptureStdout();
		delete lmp;
		lmp = nullptr;
		if (!verbose) ::testing::internal::GetCapturedStdout();
		}
		};

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