def clean_dataset(dataset):
"""
Clean an ESPEI dataset dictionary.
Parameters
----------
dataset : dict
Dictionary of the standard ESPEI dataset. dataset : dic
Returns
-------
dict
Modified dataset that has been cleaned
Notes
-----
Assumes a valid, checked dataset. Currently handles
* Converting expected numeric values to floats
"""
dataset["conditions"] = {
k: recursive_map(float, v)
for k, v in dataset["conditions"].items()
}
solver = dataset.get("solver")
if solver is not None:
solver["sublattice_site_ratios"] = recursive_map(
float, solver["sublattice_site_ratios"])
occupancies = solver.get("sublattice_occupancies")
if occupancies is not None:
solver["sublattice_occupancies"] = recursive_map(
float, occupancies)
if dataset["output"] == "ZPF":
values = dataset["values"]
new_values = []
for tieline in values:
new_tieline = []
for tieline_point in tieline:
if all([comp is None for comp in tieline_point[2]]):
# this is a null tieline point
new_tieline.append(tieline_point)
else:
new_tieline.append([
tieline_point[0], tieline_point[1],
recursive_map(float, tieline_point[2])
])
new_values.append(new_tieline)
dataset["values"] = new_values
else:
# values should be all numerical
dataset["values"] = recursive_map(float, dataset["values"])
return dataset
def test_recursive_map():
"""Test that recursive map function works"""
strings = [[["1.0"], ["5.5", "8.8"], ["10.7"]]]
floats = [[[1.0], [5.5, 8.8], [10.7]]]
assert recursive_map(float, strings) == floats
assert recursive_map(str, floats) == strings
assert recursive_map(float, "1.234") == 1.234
assert recursive_map(int, ["1", "2", "5"]) == [1, 2, 5]
assert recursive_map(float, ["1.0", ["0.5", "0.5"]]) == [1.0, [0.5, 0.5]]