Unverified Commit 9c769fe9 authored by Richard Berger's avatar Richard Berger
Browse files

Complete refactor of dump custom tests

parent d6ea2e9e

unittest/formats/test_dump_custom.cpp

+27 −55
Original line number Diff line number Diff line
@@ -125,47 +125,43 @@ TEST_F(DumpCustomTest, compute_run0) 


TEST_F(DumpCustomTest, fix_run0)

{

    auto dump_file = "dump_custom_compute_run0.melt";

    auto fields = "id x y z f_numdiff[1] f_numdiff[2] f_numdiff[3]";



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

    command("fix numdiff all numdiff 1 0.0001");

    command(fmt::format("dump id all custom 1 {} {}", dump_file, fields));

    command("dump_modify id units yes");

    command("run 0");

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



    auto dump_file = "dump_custom_compute_run0.melt";

    auto fields = "id x y z f_numdiff[1] f_numdiff[2] f_numdiff[3]";



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



    ASSERT_FILE_EXISTS(dump_file);

    auto lines = read_lines(dump_file);

    ASSERT_EQ(lines.size(), 43);

    ASSERT_STREQ(lines[6].c_str(), "ITEM: BOX BOUNDS pp pp pp");

    ASSERT_THAT(lines[6], Eq("ITEM: BOX BOUNDS pp pp pp"));

    ASSERT_EQ(utils::split_words(lines[7]).size(), 2);

    ASSERT_STREQ(lines[10].c_str(), fmt::format("ITEM: ATOMS {}", fields).c_str());

    ASSERT_THAT(lines[10], Eq(fmt::format("ITEM: ATOMS {}", fields)));

    ASSERT_EQ(utils::split_words(lines[11]).size(), 7);

    delete_file(dump_file);

}



TEST_F(DumpCustomTest, custom_run0)

{

    auto dump_file = "dump_custom_custom_run0.melt";

    auto fields = "id x y z i_flag1 d_flag2";



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

    command("fix prop all property/atom i_flag1 d_flag2");

    command("compute 1 all property/atom i_flag1 d_flag2");

    command(fmt::format("dump id all custom 1 {} {}", dump_file, fields));

    command("dump_modify id units yes");

    command("run 0");

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



    auto dump_file = "dump_custom_custom_run0.melt";

    auto fields = "id x y z i_flag1 d_flag2";



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



    ASSERT_FILE_EXISTS(dump_file);

    auto lines = read_lines(dump_file);

    ASSERT_EQ(lines.size(), 43);

    ASSERT_STREQ(lines[6].c_str(), "ITEM: BOX BOUNDS pp pp pp");

    ASSERT_THAT(lines[6], Eq("ITEM: BOX BOUNDS pp pp pp"));

    ASSERT_EQ(utils::split_words(lines[7]).size(), 2);

    ASSERT_STREQ(lines[10].c_str(), fmt::format("ITEM: ATOMS {}", fields).c_str());

    ASSERT_THAT(lines[10], Eq(fmt::format("ITEM: ATOMS {}", fields)));

    ASSERT_EQ(utils::split_words(lines[11]).size(), 6);

    delete_file(dump_file);

}
@@ -176,24 +172,14 @@ TEST_F(DumpCustomTest, binary_run1) 


    auto text_file = "dump_custom_text_run1.melt";

    auto binary_file = "dump_custom_binary_run1.melt.bin";

    auto converted_file = fmt::format("{}.txt", binary_file);

    auto fields = "id type proc x y z ix iy iz xs ys zs xu yu zu xsu ysu zsu vx vy vz fx fy fz";



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

    command(fmt::format("dump id0 all custom 1 {} {}", text_file, fields));

    command(fmt::format("dump id1 all custom 1 {} {}", binary_file, fields));

    command("dump_modify id0 units yes");

    command("dump_modify id1 units yes");

    command("run 1");

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

    generate_text_and_binary_dump(text_file, binary_file, fields, "units yes", 1);



    ASSERT_FILE_EXISTS(text_file);

    ASSERT_FILE_EXISTS(binary_file);



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

    std::string cmdline = fmt::format("{} {}", BINARY2TXT_BINARY, binary_file);

    system(cmdline.c_str());

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

    auto converted_file = convert_binary_to_text(binary_file);



    ASSERT_FILE_EXISTS(converted_file);

    ASSERT_FILE_EQUAL(text_file, converted_file);
@@ -207,18 +193,14 @@ TEST_F(DumpCustomTest, triclinic_run1) 
    auto dump_file = "dump_custom_tri_run1.melt";

    auto fields = "id type proc x y z ix iy iz xs ys zs xu yu zu xsu ysu zsu vx vy vz fx fy fz";



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

    enable_triclinic();



    command("change_box all triclinic");

    command(fmt::format("dump id all custom 1 {} {}", dump_file, fields));

    command("dump_modify id units yes");

    command("run 1");

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

    generate_dump(dump_file, fields, "units yes", 1);



    ASSERT_FILE_EXISTS(dump_file);



    auto lines = read_lines(dump_file);

    ASSERT_STREQ(lines[6].c_str(), "ITEM: BOX BOUNDS xy xz yz pp pp pp");

    ASSERT_THAT(lines[6], Eq("ITEM: BOX BOUNDS xy xz yz pp pp pp"));

    ASSERT_EQ(utils::split_words(lines[7]).size(), 3);



    ASSERT_EQ(lines.size(), 84);
@@ -231,25 +213,16 @@ TEST_F(DumpCustomTest, binary_triclinic_run1) 


    auto text_file = "dump_custom_tri_text_run1.melt";

    auto binary_file = "dump_custom_tri_binary_run1.melt.bin";

    auto converted_file = fmt::format("{}.txt", binary_file);

    auto fields = "id type proc x y z xs ys zs xsu ysu zsu vx vy vz fx fy fz";

    

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

    command("change_box all triclinic");

    command(fmt::format("dump id0 all custom 1 {} {}", text_file, fields));

    command(fmt::format("dump id1 all custom 1 {} {}", binary_file, fields));

    command("dump_modify id0 units yes");

    command("dump_modify id1 units yes");

    command("run 1");

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

    enable_triclinic();



    generate_text_and_binary_dump(text_file, binary_file, fields, "units yes", 1);



    ASSERT_FILE_EXISTS(text_file);

    ASSERT_FILE_EXISTS(binary_file);



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

    std::string cmdline = fmt::format("{} {}", BINARY2TXT_BINARY, binary_file);

    system(cmdline.c_str());

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

    auto converted_file = convert_binary_to_text(binary_file);



    ASSERT_FILE_EXISTS(converted_file);

    ASSERT_FILE_EQUAL(text_file, converted_file);
@@ -260,23 +233,22 @@ TEST_F(DumpCustomTest, binary_triclinic_run1) 


TEST_F(DumpCustomTest, with_variable_run1)

{

    auto dump_file = "dump_custom_with_variable_run1.melt";



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

    command("compute         1 all property/atom proc");

    command("variable        p atom (c_1%10)+1");

    command(fmt::format("dump id all custom 1 {} id type x y z v_p", dump_file));

    command("dump_modify id units yes");

    command("run 1");

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



    auto dump_file = "dump_custom_with_variable_run1.melt";

    auto fields = "id type x y z v_p";

    

    generate_dump(dump_file, fields, "units yes", 1);



    ASSERT_FILE_EXISTS(dump_file);

    auto lines = read_lines(dump_file);

    ASSERT_EQ(lines.size(), 84);

    ASSERT_STREQ(lines[6].c_str(), "ITEM: BOX BOUNDS pp pp pp");

    ASSERT_THAT(lines[6], Eq("ITEM: BOX BOUNDS pp pp pp"));

    ASSERT_EQ(utils::split_words(lines[7]).size(), 2);

    ASSERT_STREQ(lines[10].c_str(), "ITEM: ATOMS id type x y z v_p");

    ASSERT_THAT(lines[10], Eq("ITEM: ATOMS id type x y z v_p"));

    ASSERT_EQ(utils::split_words(lines[11]).size(), 6);

    delete_file(dump_file);

}

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