def test_parentmass_match():
"Test with default tolerance."
spectrum_1 = Spectrum(mz=numpy.array([], dtype="float"),
intensities=numpy.array([], dtype="float"),
metadata={"parent_mass": 100.0})
spectrum_2 = Spectrum(mz=numpy.array([], dtype="float"),
intensities=numpy.array([], dtype="float"),
metadata={"parent_mass": 101.0})
similarity_score = ParentmassMatch()
score = similarity_score.pair(spectrum_1, spectrum_2)
assert not score, "Expected different score."
def test_parentmass_match_missing_parentmass():
"Test with missing parentmass."
spectrum_1 = Spectrum(mz=numpy.array([], dtype="float"),
intensities=numpy.array([], dtype="float"),
metadata={"parent_mass": 100.0})
spectrum_2 = Spectrum(mz=numpy.array([], dtype="float"),
intensities=numpy.array([], dtype="float"),
metadata={})
similarity_score = ParentmassMatch(tolerance=2.0)
with pytest.raises(AssertionError) as msg:
_ = similarity_score.pair(spectrum_1, spectrum_2)
expected_message_part = "Missing parent mass."
assert expected_message_part in str(
msg.value), "Expected particular error message."