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."