def test_interpret_pepmass(input_pepmass, expected_results):
"""Test if example inputs are correctly converted"""
mz = numpy.array([100, 200.])
intensities = numpy.array([0.7, 0.1])
metadata = {'pepmass': input_pepmass}
spectrum_in = SpectrumBuilder().with_mz(mz).with_intensities(
intensities).with_metadata(metadata).build()
spectrum = interpret_pepmass(spectrum_in)
mz = spectrum.get("precursor_mz")
intensity = spectrum.get("precursor_intensity")
charge = spectrum.get("charge")
assert (mz, intensity, charge) == expected_results, \
"Expected different 3 values."
def test_interpret_pepmass_intensity_present(caplog):
"""Test if example inputs are correctly converted when entries already exist"""
mz = numpy.array([100, 200.])
intensities = numpy.array([0.7, 0.1])
metadata = {'pepmass': (203, 44, "2-"), 'precursor_intensity': 100}
spectrum_in = SpectrumBuilder().with_mz(mz).with_intensities(
intensities).with_metadata(metadata).build()
spectrum = interpret_pepmass(spectrum_in)
mz = spectrum.get("precursor_mz")
intensity = spectrum.get("precursor_intensity")
charge = spectrum.get("charge")
assert (mz, intensity, charge) == (203, 44, -2), \
"Expected different 3 values."
assert "Overwriting existing precursor_intensity 100 with new one: 44" in caplog.text, \
"Expected different log message"
def test_empty_spectrum():
spectrum_in = None
spectrum = interpret_pepmass(spectrum_in)
assert spectrum is None, "Expected different handling of None spectrum."