mdevaluate/test/test_atoms.py

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2022-04-20 12:08:38 +00:00
from mdevaluate import atoms
def test_compare_regex():
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assert not atoms.compare_regex(["OW"], "O")[0]
assert not atoms.compare_regex(["WO"], "O")[0]
assert atoms.compare_regex(["O"], "O")[0]