def test_correct_charge_no_ionmode():
"""Test if no charge is added for empty ionmode."""
spectrum_in = Spectrum(mz=numpy.array([], dtype='float'),
intensities=numpy.array([], dtype='float'),
metadata={})
spectrum = correct_charge(spectrum_in)
assert spectrum.get("charge") == 0, "Expected zero charge value."
def test_correct_charge_add_charge():
"""Test if charge is corrected as expected."""
spectrum_in = Spectrum(mz=numpy.array([], dtype='float'),
intensities=numpy.array([], dtype='float'),
metadata={"ionmode": "positive"})
spectrum = correct_charge(spectrum_in)
assert spectrum.get("charge") == 1, "Expected different charge value."
def test_correct_charge_sign_plus_to_min():
"""Test if charge is corrected as expected."""
spectrum_in = Spectrum(mz=numpy.array([], dtype='float'),
intensities=numpy.array([], dtype='float'),
metadata={
"ionmode": "negative",
"charge": 2
})
spectrum = correct_charge(spectrum_in)
assert spectrum.get("charge") == -2, "Expected different charge value."
def test_correct_charge_empty_spectrum():
spectrum_in = None
spectrum = correct_charge(spectrum_in)
assert spectrum is None, "Expected different handling of None spectrum."
def test_correct_charge(metadata, expected):
spectrum_in = SpectrumBuilder().with_metadata(metadata).build()
spectrum = correct_charge(spectrum_in)
assert spectrum.get("charge") == expected