Unverified Commit dbcf66cf authored by Richard Berger's avatar Richard Berger
Browse files

Increase coverage of dump custom

parent eab8652d

unittest/formats/test_dump_custom.cpp

+128 −7
Original line number Original line Diff line number Diff line
@@ -27,9 +27,10 @@ class DumpCustomTest : public MeltTest { 
TEST_F(DumpCustomTest, run1)

TEST_F(DumpCustomTest, run1)

{

{

    auto dump_file = "dump_custom_run1.melt";

    auto dump_file = "dump_custom_run1.melt";

    auto fields = "id type proc procp1 mass 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();

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

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

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

    command("dump_modify id units yes");

    command("dump_modify id units yes");

    command("run 1");

    command("run 1");

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

    if (!verbose) ::testing::internal::GetCapturedStdout();
@@ -40,7 +41,99 @@ TEST_F(DumpCustomTest, run1) 
    ASSERT_EQ(lines.size(), 84);

    ASSERT_EQ(lines.size(), 84);

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

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

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

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

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

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

    ASSERT_EQ(utils::split_words(lines[11]).size(), 26);

    delete_file(dump_file);

}



TEST_F(DumpCustomTest, thresh_run0)

{

    auto dump_file = "dump_custom_thresh_run0.melt";

    auto fields = "id type x y z";



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

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

    command("dump_modify id units yes thresh x < 1 thresh y < 1 thresh z < 1");

    command("run 0");

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





    ASSERT_FILE_EXISTS(dump_file);

    auto lines = read_lines(dump_file);

    ASSERT_EQ(lines.size(), 15);

    ASSERT_STREQ(lines[6].c_str(), "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_EQ(utils::split_words(lines[11]).size(), 5);

    delete_file(dump_file);

}



TEST_F(DumpCustomTest, compute_run0)

{

    auto dump_file = "dump_custom_compute_run0.melt";

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



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

    command("compute comp all property/atom x y z");

    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();





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

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

    ASSERT_EQ(utils::split_words(lines[11]).size(), 8);

    delete_file(dump_file);

}



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();





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

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

    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();





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

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

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

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

    delete_file(dump_file);

    delete_file(dump_file);

}

}
@@ -50,12 +143,13 @@ TEST_F(DumpCustomTest, binary_run1) 
    auto text_file = "dump_custom_text_run1.melt";

    auto text_file = "dump_custom_text_run1.melt";

    auto binary_file = "dump_custom_binary_run1.melt.bin";

    auto binary_file = "dump_custom_binary_run1.melt.bin";

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

    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(!BINARY2TXT_BINARY) GTEST_SKIP();

    if(!BINARY2TXT_BINARY) GTEST_SKIP();





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

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

    command(fmt::format("dump id0 all custom 1 {} id type x y vx fx", text_file));

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

    command(fmt::format("dump id1 all custom 1 {} id type x y vx fx", binary_file));

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

    command("dump_modify id0 units yes");

    command("dump_modify id0 units yes");

    command("dump_modify id1 units yes");

    command("dump_modify id1 units yes");

    command("run 1");

    command("run 1");
@@ -79,10 +173,12 @@ TEST_F(DumpCustomTest, binary_run1) 
TEST_F(DumpCustomTest, triclinic_run1)

TEST_F(DumpCustomTest, triclinic_run1)

{

{

    auto dump_file = "dump_custom_tri_run1.melt";

    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();

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





    command("change_box all triclinic");

    command("change_box all triclinic");

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

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

    command("dump_modify id units yes");

    command("dump_modify id units yes");

    command("run 1");

    command("run 1");

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

    if (!verbose) ::testing::internal::GetCapturedStdout();
@@ -102,12 +198,14 @@ TEST_F(DumpCustomTest, binary_triclinic_run1) 
    auto text_file = "dump_custom_tri_text_run1.melt";

    auto text_file = "dump_custom_tri_text_run1.melt";

    auto binary_file = "dump_custom_tri_binary_run1.melt.bin";

    auto binary_file = "dump_custom_tri_binary_run1.melt.bin";

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

    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(!BINARY2TXT_BINARY) GTEST_SKIP();

    if(!BINARY2TXT_BINARY) GTEST_SKIP();





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

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

    command(fmt::format("dump id0 all custom 1 {} id type x y vx fx", text_file));

    command("change_box all triclinic");

    command(fmt::format("dump id1 all custom 1 {} id type x y vx fx", binary_file));

    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 id0 units yes");

    command("dump_modify id1 units yes");

    command("dump_modify id1 units yes");

    command("run 1");

    command("run 1");
@@ -128,6 +226,29 @@ TEST_F(DumpCustomTest, binary_triclinic_run1) 
    delete_file(converted_file);

    delete_file(converted_file);

}

}





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();





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

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

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

    delete_file(dump_file);

}







int main(int argc, char **argv)

int main(int argc, char **argv)

{

{

unittest/testing/systems/melt.h

+1 −0
Original line number Original line Diff line number Diff line
@@ -20,6 +20,7 @@ protected: 
    virtual void InitSystem() override {

    virtual void InitSystem() override {

        command("units           lj");

        command("units           lj");

        command("atom_style      atomic");

        command("atom_style      atomic");

        command("atom_modify     map yes");





        command("lattice         fcc 0.8442");

        command("lattice         fcc 0.8442");

        command("region          box block 0 2 0 2 0 2");

        command("region          box block 0 2 0 2 0 2");

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