Unverified Commit 873b8b01 authored by Richard Berger's avatar Richard Berger
Browse files

Add dump atom tests with image=yes

parent 560c29a0

unittest/formats/test_dump.cpp

+109 −2
Original line number Diff line number Diff line
@@ -63,6 +63,17 @@ static bool equal_lines(const std::string &fileA, const std::string &fileB) 
    return true;

}



static std::vector<std::string> read_lines(const std::string &filename) {

    std::vector<std::string> lines;

    std::ifstream infile(filename);

    std::string line;



    while (std::getline(infile, line))

        lines.push_back(line);



    return lines;

}



static bool file_exists(const std::string &filename) {

    struct stat result;

    return stat(filename.c_str(), &result) == 0;
@@ -137,10 +148,33 @@ TEST_F(DumpAtomTest, run0) 
    if (!verbose) ::testing::internal::GetCapturedStdout();



    ASSERT_FILE_EXISTS("dump_run0.melt");

    ASSERT_EQ(count_lines("dump_run0.melt"), 41);

    auto lines = read_lines("dump_run0.melt");

    ASSERT_EQ(lines.size(), 41);

    ASSERT_STREQ(lines[4].c_str(), "ITEM: BOX BOUNDS pp pp pp");

    ASSERT_EQ(utils::split_words(lines[5]).size(), 2);

    ASSERT_STREQ(lines[8].c_str(), "ITEM: ATOMS id type xs ys zs");

    ASSERT_EQ(utils::split_words(lines[9]).size(), 5);

    delete_file("dump_run0.melt");

}



TEST_F(DumpAtomTest, with_image_run0)

{

    if (!verbose) ::testing::internal::CaptureStdout();

    command("dump id all atom 1 dump_with_image_run0.melt");

    command("dump_modify id image yes");

    command("run 0");

    if (!verbose) ::testing::internal::GetCapturedStdout();



    ASSERT_FILE_EXISTS("dump_with_image_run0.melt");



    auto lines = read_lines("dump_with_image_run0.melt");

    ASSERT_EQ(lines.size(), 41);

    ASSERT_STREQ(lines[8].c_str(), "ITEM: ATOMS id type xs ys zs ix iy iz");

    ASSERT_EQ(utils::split_words(lines[9]).size(), 8);



    delete_file("dump_with_image_run0.melt");

}



TEST_F(DumpAtomTest, tricilinic_run0)

{

    if (!verbose) ::testing::internal::CaptureStdout();
@@ -151,10 +185,38 @@ TEST_F(DumpAtomTest, tricilinic_run0) 
    if (!verbose) ::testing::internal::GetCapturedStdout();



    ASSERT_FILE_EXISTS("dump_triclinic_run0.melt");

    ASSERT_EQ(count_lines("dump_triclinic_run0.melt"), 41);



    auto lines = read_lines("dump_triclinic_run0.melt");

    ASSERT_STREQ(lines[4].c_str(), "ITEM: BOX BOUNDS xy xz yz pp pp pp");

    ASSERT_EQ(utils::split_words(lines[5]).size(), 3);



    ASSERT_EQ(lines.size(), 41);

    delete_file("dump_triclinic_run0.melt");

}



TEST_F(DumpAtomTest, triclinic_with_image_run0)

{

    if (!verbose) ::testing::internal::CaptureStdout();

    command("change_box all triclinic");

    command("dump id all atom 1 dump_triclinic_with_image_run0.melt");

    command("dump_modify id image yes");

    command("run 0");

    if (!verbose) ::testing::internal::GetCapturedStdout();



    ASSERT_FILE_EXISTS("dump_triclinic_with_image_run0.melt");



    auto lines = read_lines("dump_triclinic_with_image_run0.melt");

    ASSERT_EQ(lines.size(), 41);



    ASSERT_STREQ(lines[4].c_str(), "ITEM: BOX BOUNDS xy xz yz pp pp pp");

    ASSERT_EQ(utils::split_words(lines[5]).size(), 3);



    ASSERT_STREQ(lines[8].c_str(), "ITEM: ATOMS id type xs ys zs ix iy iz");

    ASSERT_EQ(utils::split_words(lines[9]).size(), 8);



    delete_file("dump_tricilinic_with_image_run0.melt");

}



TEST_F(DumpAtomTest, binary_run0)

{

    if(!BINARY2TXT_BINARY) GTEST_SKIP();
@@ -167,8 +229,12 @@ TEST_F(DumpAtomTest, binary_run0) 


    ASSERT_FILE_EXISTS("dump_text_run0.melt");

    ASSERT_FILE_EXISTS("dump_binary_run0.melt.bin");



    if (!verbose) ::testing::internal::CaptureStdout();

    std::string cmdline = fmt::format("{} dump_binary_run0.melt.bin", BINARY2TXT_BINARY);

    system(cmdline.c_str());

    if (!verbose) ::testing::internal::GetCapturedStdout();



    ASSERT_FILE_EXISTS("dump_binary_run0.melt.bin.txt");

    ASSERT_FILE_EQUAL("dump_text_run0.melt", "dump_binary_run0.melt.bin.txt");

    delete_file("dump_text_run0.melt");
@@ -189,8 +255,12 @@ TEST_F(DumpAtomTest, binary_triclinic_run0) 


    ASSERT_FILE_EXISTS("dump_text_tri_run0.melt");

    ASSERT_FILE_EXISTS("dump_binary_tri_run0.melt.bin");



    if (!verbose) ::testing::internal::CaptureStdout();

    std::string cmdline = fmt::format("{} dump_binary_tri_run0.melt.bin", BINARY2TXT_BINARY);

    system(cmdline.c_str());

    if (!verbose) ::testing::internal::GetCapturedStdout();



    ASSERT_FILE_EXISTS("dump_binary_tri_run0.melt.bin.txt");

    ASSERT_FILE_EQUAL("dump_text_tri_run0.melt", "dump_binary_tri_run0.melt.bin.txt");

    delete_file("dump_text_tri_run0.melt");
@@ -198,6 +268,43 @@ TEST_F(DumpAtomTest, binary_triclinic_run0) 
    delete_file("dump_binary_tri_run0.melt.bin.txt");

}



TEST_F(DumpAtomTest, binary_triclinic_with_image_run0)

{

    if (!verbose) ::testing::internal::CaptureStdout();

    command("change_box all triclinic");

    command("dump id0 all atom 1 dump_text_tri_with_image_run0.melt");

    command("dump id1 all atom 1 dump_binary_tri_with_image_run0.melt.bin");

    command("dump_modify id0 image yes");

    command("dump_modify id1 image yes");

    command("run 0");

    if (!verbose) ::testing::internal::GetCapturedStdout();



    ASSERT_FILE_EXISTS("dump_text_tri_with_image_run0.melt");

    ASSERT_FILE_EXISTS("dump_binary_tri_with_image_run0.melt.bin");



    if (!verbose) ::testing::internal::CaptureStdout();

    std::string cmdline = fmt::format("{} dump_binary_tri_with_image_run0.melt.bin", BINARY2TXT_BINARY);

    system(cmdline.c_str());

    if (!verbose) ::testing::internal::GetCapturedStdout();



    ASSERT_FILE_EXISTS("dump_binary_tri_with_image_run0.melt.bin.txt");

    ASSERT_FILE_EQUAL("dump_text_tri_with_image_run0.melt",

                      "dump_binary_tri_with_image_run0.melt.bin.txt");



    auto lines = read_lines("dump_binary_tri_with_image_run0.melt.bin.txt");

    ASSERT_EQ(lines.size(), 41);



    ASSERT_STREQ(lines[4].c_str(), "ITEM: BOX BOUNDS xy xz yz pp pp pp");

    ASSERT_EQ(utils::split_words(lines[5]).size(), 3);



    ASSERT_STREQ(lines[8].c_str(), "ITEM: ATOMS id type xs ys zs ix iy iz");

    ASSERT_EQ(utils::split_words(lines[9]).size(), 8);



    delete_file("dump_text_tri_with_image_run0.melt");

    delete_file("dump_binary_tri_with_image_run0.melt.bin");

    delete_file("dump_binary_tri_with_image_run0.melt.bin.txt");

}



TEST_F(DumpAtomTest, run1)

{

    if (!verbose) ::testing::internal::CaptureStdout();

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