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more dump_modify testing

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This commit is contained in:
Axel Kohlmeyer
2022-08-31 21:23:23 -04:00
parent bb225c4be6
commit be53dda249
1 changed files with 97 additions and 11 deletions
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108
unittest/formats/test_dump_atom.cpp
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@ -113,14 +113,15 @@ public:
std::vector<std::string> extract_items(const std::string &file, const std::string &item) std::vector<std::string> extract_items(const std::string &file, const std::string &item)
{ {
std::string match = fmt::format("^ITEM: {}", item); std::string match = fmt::format("^ITEM: {}$", item);
std::vector<std::string> values; std::vector<std::string> values;
std::ifstream dump(file); std::ifstream dump(file);
for (std::string buffer; std::getline(dump, buffer);) { for (std::string buffer; std::getline(dump, buffer); /* */) {
buffer = utils::trim(buffer);
if (utils::strmatch(buffer, match)) { if (utils::strmatch(buffer, match)) {
std::getline(dump, buffer); std::getline(dump, buffer);
values.push_back(utils::trim(buffer)); values.push_back(buffer);
} }
} }
return values; return values;
@ -698,6 +699,38 @@ TEST_F(DumpAtomTest, binary_write_dump)
delete_file(dump_file); delete_file(dump_file);
} }
//-------------------------------------------------------------------------------------------------
// dump_modify
//-------------------------------------------------------------------------------------------------
TEST_F(DumpAtomTest, units_time)
{
auto dump_file = dump_filename("units_time");
BEGIN_HIDE_OUTPUT();
command("dump id all atom 10 " + dump_file);
command("dump_modify id units yes time yes");
command("run 30 post no");
command("timestep 0.01");
command("run 30 post no");
command("undump id");
END_HIDE_OUTPUT();
std::vector<std::string> expected, values;
values = extract_items(dump_file, "TIME");
expected = {"0", "0.05", "0.1", "0.15", "0.25", "0.35", "0.45"};
ASSERT_EQ(values.size(), expected.size());
for (int i = 0; i < expected.size(); ++i)
EXPECT_THAT(values[i], Eq(expected[i]));
values = extract_items(dump_file, "UNITS");
expected = {"lj"};
ASSERT_EQ(values.size(), expected.size());
for (int i = 0; i < expected.size(); ++i)
EXPECT_THAT(values[i], Eq(expected[i]));
delete_file(dump_file);
}
TEST_F(DumpAtomTest, every) TEST_F(DumpAtomTest, every)
{ {
auto dump_file = dump_filename("every"); auto dump_file = dump_filename("every");
@ -711,11 +744,12 @@ TEST_F(DumpAtomTest, every)
command("undump id"); command("undump id");
END_HIDE_OUTPUT(); END_HIDE_OUTPUT();
auto timesteps = extract_items(dump_file, "TIMESTEP"); std::vector<std::string> expected, values;
std::vector<std::string> expected = {"0", "10", "20", "25", "30", "35", "40", "50", "60"}; values = extract_items(dump_file, "TIMESTEP");
ASSERT_EQ(timesteps.size(), expected.size()); expected = {"0", "10", "20", "25", "30", "35", "40", "50", "60"};
ASSERT_EQ(values.size(), expected.size());
for (int i = 0; i < expected.size(); ++i) for (int i = 0; i < expected.size(); ++i)
ASSERT_THAT(timesteps[i], Eq(expected[i])); ASSERT_THAT(values[i], Eq(expected[i]));
delete_file(dump_file); delete_file(dump_file);
@ -731,14 +765,66 @@ TEST_F(DumpAtomTest, every)
command("undump id"); command("undump id");
END_HIDE_OUTPUT(); END_HIDE_OUTPUT();
timesteps = extract_items(dump_file, "TIMESTEP"); values = extract_items(dump_file, "TIMESTEP");
expected = {"1", "4", "25", "60", "70", "100"}; expected = {"1", "4", "25", "60", "70", "100"};
ASSERT_EQ(timesteps.size(), expected.size()); ASSERT_EQ(values.size(), expected.size());
for (int i = 0; i < expected.size(); ++i) for (int i = 0; i < expected.size(); ++i)
ASSERT_THAT(timesteps[i], Eq(expected[i])); ASSERT_THAT(values[i], Eq(expected[i]));
delete_file(dump_file); delete_file(dump_file);
} }
TEST_F(DumpAtomTest, every_time)
{
auto dump_file = dump_filename("every_time");
BEGIN_HIDE_OUTPUT();
command("dump id all atom 10 " + dump_file);
command("dump_modify id every/time 0.1");
command("run 40 post no");
command("timestep 0.01");
command("run 20 post no");
command("undump id");
END_HIDE_OUTPUT();
std::vector<std::string> expected, values;
values = extract_items(dump_file, "TIMESTEP");
expected = {"0", "20", "40", "50", "60"};
ASSERT_EQ(values.size(), expected.size());
for (int i = 0; i < expected.size(); ++i)
ASSERT_THAT(values[i], Eq(expected[i]));
delete_file(dump_file);
}
TEST_F(DumpAtomTest, header)
{
auto dump_file = dump_filename("header");
BEGIN_HIDE_OUTPUT();
command("reset_timestep 5");
command("dump id all atom 10 " + dump_file);
command("dump_modify id first no header yes");
command("run 40 post no");
command("undump id");
END_HIDE_OUTPUT();
std::vector<std::string> expected, values;
values = extract_items(dump_file, "TIMESTEP");
expected = {"10", "20", "30", "40"};
ASSERT_EQ(values.size(), expected.size());
for (int i = 0; i < expected.size(); ++i)
ASSERT_THAT(values[i], Eq(expected[i]));
BEGIN_HIDE_OUTPUT();
command("dump id all atom 10 " + dump_file);
command("dump_modify id header no");
command("run 40 post no");
command("undump id");
END_HIDE_OUTPUT();
values = extract_items(dump_file, "TIMESTEP");
ASSERT_EQ(values.size(), 0);
delete_file(dump_file);
}
} // namespace LAMMPS_NS } // namespace LAMMPS_NS
int main(int argc, char **argv) int main(int argc, char **argv)