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Increase coverage of dump custom

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This commit is contained in:
Richard Berger
2020-08-13 17:41:06 -04:00
parent eab8652d3a
commit dbcf66cf97
2 changed files with 129 additions and 7 deletions
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135
unittest/formats/test_dump_custom.cpp
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@ -27,9 +27,10 @@ class DumpCustomTest : public MeltTest {
TEST_F(DumpCustomTest, run1)
{
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();
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("run 1");
if (!verbose) ::testing::internal::GetCapturedStdout();
@ -40,7 +41,99 @@ TEST_F(DumpCustomTest, run1)
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 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);
delete_file(dump_file);
}
@ -50,12 +143,13 @@ 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(!BINARY2TXT_BINARY) GTEST_SKIP();
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 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 id1 units yes");
command("run 1");
@ -79,10 +173,12 @@ TEST_F(DumpCustomTest, binary_run1)
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();
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("run 1");
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 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(!BINARY2TXT_BINARY) GTEST_SKIP();
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 id1 all custom 1 {} id type x y vx fx", binary_file));
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");
@ -128,6 +226,29 @@ TEST_F(DumpCustomTest, binary_triclinic_run1)
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)
{