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Update binary format of dump custom

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This commit is contained in:
Richard Berger
2020-08-13 14:45:22 -04:00
parent 71ec14087d
commit fbcc97586f
4 changed files with 172 additions and 15 deletions
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92
unittest/formats/test_dump_custom.cpp
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@ -24,46 +24,110 @@ char * BINARY2TXT_BINARY = nullptr;
class DumpCustomTest : public MeltTest {
};
TEST_F(DumpCustomTest, run0)
TEST_F(DumpCustomTest, run1)
{
auto dump_file = "dump_custom_run0.melt";
auto dump_file = "dump_custom_run1.melt";
if (!verbose) ::testing::internal::CaptureStdout();
command(fmt::format("dump id all custom 1 {} id type x y vx fx", dump_file));
command("run 0");
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(), 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 x y vx fx");
ASSERT_EQ(utils::split_words(lines[9]).size(), 6);
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_EQ(utils::split_words(lines[11]).size(), 6);
delete_file(dump_file);
}
TEST_F(DumpCustomTest, triclinic_run0)
TEST_F(DumpCustomTest, binary_run1)
{
auto dump_file = "dump_custom_tri_run0.melt";
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);
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("dump_modify id0 units yes");
command("dump_modify id1 units yes");
command("run 1");
if (!verbose) ::testing::internal::GetCapturedStdout();
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();
ASSERT_FILE_EXISTS(converted_file);
ASSERT_FILE_EQUAL(text_file, converted_file);
delete_file(text_file);
delete_file(binary_file);
delete_file(converted_file);
}
TEST_F(DumpCustomTest, triclinic_run1)
{
auto dump_file = "dump_custom_tri_run1.melt";
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("run 0");
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_STREQ(lines[4].c_str(), "ITEM: BOX BOUNDS xy xz yz pp pp pp");
ASSERT_EQ(utils::split_words(lines[5]).size(), 3);
ASSERT_STREQ(lines[6].c_str(), "ITEM: BOX BOUNDS xy xz yz pp pp pp");
ASSERT_EQ(utils::split_words(lines[7]).size(), 3);
ASSERT_EQ(lines.size(), 41);
ASSERT_EQ(lines.size(), 84);
delete_file(dump_file);
}
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);
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("dump_modify id0 units yes");
command("dump_modify id1 units yes");
command("run 1");
if (!verbose) ::testing::internal::GetCapturedStdout();
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();
ASSERT_FILE_EXISTS(converted_file);
ASSERT_FILE_EQUAL(text_file, converted_file);
delete_file(text_file);
delete_file(binary_file);
delete_file(converted_file);
}
int main(int argc, char **argv)
{