コード例 #1
0
def test_composite_peak(filtered_peak_list, im_i):
    print(".", end='')
    composite_peak_list = filtered_peak_list[10:20]
    print(".", end='')
    peak = composite_peak(composite_peak_list)
    print(".", end='')
    assert isinstance(peak, Peak)

    uid = peak.UID
    assert uid == '96-69-62-47.73'

    assert peak.get_third_highest_mz() == 57
    assert peak.bounds is None
    assert peak.get_int_of_ion(100) == 3.603215488138507
    assert peak.rt == 47.727200388899995
    assert peak.ic_mass is None
    assert peak.top_ions(10)[0] == 115

    # area = peak_sum_area(im_i, peak)
    # peak.area = area
    # assert peak.area == area

    assert isinstance(peak.mass_spectrum, MassSpectrum)
    assert isinstance(peak.mass_spectrum.mass_spec, list)
    peak.null_mass(73)
    index_73 = peak.mass_spectrum.mass_list.index(73)
    assert peak.mass_spectrum.mass_spec[index_73] == 0

    peak.crop_mass(100, 200)
    assert peak.UID != uid

    # Errors
    for obj in [test_dict, *test_sequences, *test_numbers, test_string]:
        with pytest.raises(TypeError):
            composite_peak(obj)
コード例 #2
0
def test_composite_peak_outliers(filtered_peak_list, im_i):
    composite_peak_list = filtered_peak_list[10:13]
    peak = composite_peak(composite_peak_list, ignore_outliers=True)
    assert isinstance(peak, Peak)

    uid = peak.UID
    assert uid == '88-86-92-39.07'

    assert peak.get_third_highest_mz() == 85
    assert peak.bounds is None
    assert peak.get_int_of_ion(100) == 7.1236965120460285
    assert peak.rt == 39.0680015087
    assert peak.ic_mass is None
    assert peak.top_ions(10)[0] == 161

    # area = peak_sum_area(im_i, peak)
    # peak.area = area
    # assert peak.area == area

    peak.null_mass(73)
    index_73 = peak.mass_spectrum.mass_list.index(73)
    assert peak.mass_spectrum.mass_spec[index_73] == 0

    peak.crop_mass(100, 200)
    assert peak.UID != uid