From 32aa35009b9d8a360dc307e316d1a11dec631353 Mon Sep 17 00:00:00 2001 From: Richard Berger Date: Wed, 26 Aug 2020 16:04:19 -0400 Subject: [PATCH] Start tests for compressed dump styles --- src/COMPRESS/dump_atom_gz.cpp | 12 +-- unittest/formats/CMakeLists.txt | 9 ++ unittest/formats/test_dump_atom_gz.cpp | 123 +++++++++++++++++++++++++ unittest/testing/core.h | 1 + 4 files changed, 139 insertions(+), 6 deletions(-) create mode 100644 unittest/formats/test_dump_atom_gz.cpp diff --git a/src/COMPRESS/dump_atom_gz.cpp b/src/COMPRESS/dump_atom_gz.cpp index 792f6d414b..575b6a9f44 100644 --- a/src/COMPRESS/dump_atom_gz.cpp +++ b/src/COMPRESS/dump_atom_gz.cpp @@ -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); } diff --git a/unittest/formats/CMakeLists.txt b/unittest/formats/CMakeLists.txt index d2b5bccf20..fa09a69149 100644 --- a/unittest/formats/CMakeLists.txt +++ b/unittest/formats/CMakeLists.txt @@ -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}) diff --git a/unittest/formats/test_dump_atom_gz.cpp b/unittest/formats/test_dump_atom_gz.cpp new file mode 100644 index 0000000000..c4ff89cf9f --- /dev/null +++ b/unittest/formats/test_dump_atom_gz.cpp @@ -0,0 +1,123 @@ +/* ---------------------------------------------------------------------- + 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 + +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 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; +} diff --git a/unittest/testing/core.h b/unittest/testing/core.h index 73e5cfbbb9..aaaf65c44f 100644 --- a/unittest/testing/core.h +++ b/unittest/testing/core.h @@ -71,6 +71,7 @@ protected: { if (!verbose) ::testing::internal::CaptureStdout(); delete lmp; + lmp = nullptr; if (!verbose) ::testing::internal::GetCapturedStdout(); } };