def test_datasets_convert_thermochemical_string_values_producing_correct_value(
datasets_db):
"""Strings where floats are expected should give correct answers for thermochemical datasets"""
ds = clean_dataset(CU_MG_DATASET_THERMOCHEMICAL_STRING_VALUES)
assert np.issubdtype(np.array(ds['values']).dtype, np.number)
assert np.issubdtype(np.array(ds['conditions']['T']).dtype, np.number)
assert np.issubdtype(np.array(ds['conditions']['P']).dtype, np.number)
def test_datasets_convert_zpf_string_values_producing_correct_value(
datasets_db):
"""Strings where floats are expected should give correct answers for ZPF datasets"""
ds = clean_dataset(CU_MG_DATASET_ZPF_STRING_VALUES)
assert np.issubdtype(
np.array([t[0][2] for t in ds['values']]).dtype, np.number)
assert np.issubdtype(np.array(ds['conditions']['T']).dtype, np.number)
assert np.issubdtype(np.array(ds['conditions']['P']).dtype, np.number)
def test_datasets_convert_zpf_string_values_producing_correct_value(
datasets_db):
"""Strings where floats are expected should give correct answers for ZPF datasets"""
datasets_db.insert(clean_dataset(CU_MG_DATASET_ZPF_STRING_VALUES))
dbf = Database(CU_MG_TDB)
errors = calculate_zpf_error(dbf, ['CU', 'MG', 'VA'],
list(dbf.phases.keys()), datasets_db, {}, {},
{})
assert np.isclose(-np.sum(np.square(errors)), -5741.61962949)
def test_datasets_convert_thermochemical_string_values_producing_correct_value(
datasets_db):
"""Strings where floats are expected should give correct answers for thermochemical datasets"""
datasets_db.insert(
clean_dataset(CU_MG_DATASET_THERMOCHEMICAL_STRING_VALUES))
dbf = Database(CU_MG_TDB)
error = calculate_thermochemical_error(dbf, ['CU', 'MG', 'VA'],
list(dbf.phases.keys()),
datasets_db)
assert np.isclose(float(error), -3672.727272727273, atol=0.01)
def test_applying_tags(datasets_db):
"""Test that applying tags updates the appropriate values"""
dataset = clean_dataset(CU_MG_DATASET_THERMOCHEMICAL_STRING_VALUES)
# overwrite tags for this test
dataset["tags"] = ["testtag"]
datasets_db.insert(dataset)
assert len(datasets_db.all()) == 1
assert "newkey_from_tag" not in datasets_db.all()[0]
apply_tags(datasets_db,
{"testtag": {
"newkey_from_tag": ["tag", "values"]
}})
assert len(datasets_db.all()) == 1
assert "newkey_from_tag" in datasets_db.all()[0]
assert datasets_db.all()[0]["newkey_from_tag"] == ["tag", "values"]