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for finding and fixing issues
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import os
import pickle
import pytest
import pathlib
@pytest.fixture(scope="session", autouse=True)
def data_dir():
return pathlib.Path(__file__).absolute().parent / "data"
def ccdc_enabled():
try:
import ccdc
return True
except Exception:
return False
def reference_data(data_dir):
"""Data fixture of amd.PeriodicSet objects to use in tests."""
filenames = ["cubic", "T2_experimental", "CSD_families"]
refs = {}
for name in filenames:
path = str(data_dir / f"{name}.pkl")
with open(path, "rb") as f:
data = pickle.load(f)
if not data:
raise ValueError(f"Data not found in path {path}")
refs[name] = data
return refs
dwiddo /
average-minimum-distance
