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Add triclinic tests for dump atom

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This commit is contained in:
Richard Berger
2020-08-11 16:17:36 -04:00
parent 83f81c42b9
commit b08751d65a
2 changed files with 46 additions and 0 deletions
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36
unittest/formats/test_dump.cpp
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@ -141,6 +141,20 @@ TEST_F(DumpAtomTest, run0)
delete_file("dump_run0.melt");
}
TEST_F(DumpAtomTest, tricilinic_run0)
{
if (!verbose) ::testing::internal::CaptureStdout();
command("change_box all triclinic");
command("dump id all atom 1 dump_triclinic_run0.melt");
command("run 0");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_FILE_EXISTS("dump_triclinic_run0.melt");
ASSERT_EQ(count_lines("dump_triclinic_run0.melt"), 41);
delete_file("dump_triclinic_run0.melt");
}
TEST_F(DumpAtomTest, binary_run0)
{
if(!BINARY2TXT_BINARY) GTEST_SKIP();
@ -162,6 +176,28 @@ TEST_F(DumpAtomTest, binary_run0)
delete_file("dump_binary_run0.melt.bin.txt");
}
TEST_F(DumpAtomTest, binary_triclinic_run0)
{
if(!BINARY2TXT_BINARY) GTEST_SKIP();
if (!verbose) ::testing::internal::CaptureStdout();
command("change_box all triclinic");
command("dump id0 all atom 1 dump_text_tri_run0.melt");
command("dump id1 all atom 1 dump_binary_tri_run0.melt.bin");
command("run 0");
if (!verbose) ::testing::internal::GetCapturedStdout();
ASSERT_FILE_EXISTS("dump_text_tri_run0.melt");
ASSERT_FILE_EXISTS("dump_binary_tri_run0.melt.bin");
std::string cmdline = fmt::format("{} dump_binary_tri_run0.melt.bin", BINARY2TXT_BINARY);
system(cmdline.c_str());
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");
delete_file("dump_binary_tri_run0.melt.bin");
delete_file("dump_binary_tri_run0.melt.bin.txt");
}
TEST_F(DumpAtomTest, run1)
{
if (!verbose) ::testing::internal::CaptureStdout();