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Add tests for units in dump atom

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This commit is contained in:
Richard Berger
2020-08-13 10:22:46 -04:00
parent 3dda6b5752
commit b27d63059c
1 changed files with 59 additions and 1 deletions
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60
unittest/formats/test_dump.cpp
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@ -230,6 +230,64 @@ TEST_F(DumpAtomTest, with_image_run0)
delete_file("dump_with_image_run0.melt"); delete_file("dump_with_image_run0.melt");
} }
TEST_F(DumpAtomTest, with_units_run0)
{
if (!verbose) ::testing::internal::CaptureStdout();
command("dump id all atom 1 dump_with_units_run0.melt");
command("dump_modify id scale no units yes");
command("run 0");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_FILE_EXISTS("dump_with_units_run0.melt");
auto lines = read_lines("dump_with_units_run0.melt");
ASSERT_EQ(lines.size(), 43);
ASSERT_STREQ(lines[0].c_str(), "ITEM: UNITS");
ASSERT_STREQ(lines[1].c_str(), "lj");
ASSERT_STREQ(lines[10].c_str(), "ITEM: ATOMS id type x y z");
ASSERT_EQ(utils::split_words(lines[11]).size(), 5);
delete_file("dump_with_units_run0.melt");
}
TEST_F(DumpAtomTest, with_units_run1)
{
if (!verbose) ::testing::internal::CaptureStdout();
command("dump id all atom 1 dump_with_units_run1.melt");
command("dump_modify id scale no units yes");
command("run 1");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_FILE_EXISTS("dump_with_units_run1.melt");
auto lines = read_lines("dump_with_units_run1.melt");
ASSERT_EQ(lines.size(), 84);
ASSERT_STREQ(lines[0].c_str(), "ITEM: UNITS");
ASSERT_STREQ(lines[1].c_str(), "lj");
ASSERT_STREQ(lines[10].c_str(), "ITEM: ATOMS id type x y z");
ASSERT_EQ(utils::split_words(lines[11]).size(), 5);
delete_file("dump_with_units_run1.melt");
}
TEST_F(DumpAtomTest, no_buffer_with_scale_and_image_run0)
{
if (!verbose) ::testing::internal::CaptureStdout();
command("dump id all atom 1 dump_no_buffer_with_scale_and_image_run0.melt");
command("dump_modify id buffer no scale yes image yes");
command("run 0");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_FILE_EXISTS("dump_no_buffer_with_scale_and_image_run0.melt");
auto lines = read_lines("dump_no_buffer_with_scale_and_image_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 ix iy iz");
ASSERT_EQ(utils::split_words(lines[9]).size(), 8);
delete_file("dump_no_buffer_with_scale_and_image_run0.melt");
}
TEST_F(DumpAtomTest, tricilinic_run0) TEST_F(DumpAtomTest, tricilinic_run0)
{ {
if (!verbose) ::testing::internal::CaptureStdout(); if (!verbose) ::testing::internal::CaptureStdout();
@ -269,7 +327,7 @@ TEST_F(DumpAtomTest, triclinic_with_image_run0)
ASSERT_STREQ(lines[8].c_str(), "ITEM: ATOMS id type xs ys zs ix iy iz"); 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); ASSERT_EQ(utils::split_words(lines[9]).size(), 8);
delete_file("dump_tricilinic_with_image_run0.melt"); delete_file("dump_triclinic_with_image_run0.melt");
} }
TEST_F(DumpAtomTest, binary_run0) TEST_F(DumpAtomTest, binary_run0)