Start tests for compressed dump styles

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);
   }

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})

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 <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

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