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