def test_0():
ii = np.linspace(1000.0, 2000.0, 21)
mzs = np.linspace(100.0, 1100.0, 21)
peaks = np.vstack((mzs, ii)).T
spec = Spectrum(peaks, rt=100.0, msLevel=1, polarity="+")
assert (1.0 - 1e-3) <= spec.cosine_distance(spec, 0.001) <= 1.0 + 1e-3
# enforce only 10 matches
mzs[10:] = 0.0
peaks = np.vstack((mzs, ii)).T
other = Spectrum(peaks, rt=100.0, msLevel=1, polarity="+")
assert (1.0 - 1e-3) <= spec.cosine_distance(other, 0.001) <= 1.0 + 1e-3
# enforce only 5 matches
mzs[5:] = 0.0
peaks = np.vstack((mzs, ii)).T
other = Spectrum(peaks, rt=100.0, msLevel=1, polarity="+")
assert (0.0 - 1e-3) <= spec.cosine_distance(other, 0.001, min_matches=10) <= 0.0 + 1e-3
ii = np.linspace(1000.0, 2000.0, 21)
mzs = np.linspace(100.0, 1100.0, 21) + 800.0
peaks = np.vstack((mzs, ii)).T
other = Spectrum(peaks, rt=100.0, msLevel=1, polarity="+")
assert (0.99963 - 1e-3) <= spec.cosine_distance(other, 0.001, min_matches=5) <= 0.99963 + 1e-3
ii = np.linspace(1000.0, 2000.0, 21)
mzs = np.linspace(100.0, 1100.0, 21) + 200
peaks = np.vstack((mzs, ii)).T
s1 = Spectrum(peaks, rt=1.0, msLevel=2, polarity="+", precursors=[(10.0, 1000)])
s2 = Spectrum(peaks, rt=1.0, msLevel=2, polarity="+", precursors=[(210.0, 1000)])
assert abs(s1.cosine_distance(s2, 0.001, consider_precursor_shift=True) - 0.99986) < 1e-3
def test_0():
ii = np.linspace(1000.0, 2000.0, 21)
mzs = np.linspace(100.0, 1100.0, 21)
peaks = np.vstack((mzs, ii)).T
spec = Spectrum(peaks, rt=100.0, msLevel=1, polarity="+")
assert (1.0 - 1e-3) <= spec.cosine_distance(spec, 0.001) <= 1.0 + 1e-3
# enforce only 10 matches
mzs[10:] = 0.0
peaks = np.vstack((mzs, ii)).T
other = Spectrum(peaks, rt=100.0, msLevel=1, polarity="+")
assert (1.0 - 1e-3) <= spec.cosine_distance(other, 0.001) <= 1.0 + 1e-3
# enforce only 5 matches
mzs[5:] = 0.0
peaks = np.vstack((mzs, ii)).T
other = Spectrum(peaks, rt=100.0, msLevel=1, polarity="+")
assert (0.0 - 1e-3) <= spec.cosine_distance(other, 0.001,
min_matches=10) <= 0.0 + 1e-3
ii = np.linspace(1000.0, 2000.0, 21)
mzs = np.linspace(100.0, 1100.0, 21) + 800.0
peaks = np.vstack((mzs, ii)).T
other = Spectrum(peaks, rt=100.0, msLevel=1, polarity="+")
assert (0.99963 - 1e-3) <= spec.cosine_distance(
other, 0.001, min_matches=5) <= 0.99963 + 1e-3
ii = np.linspace(1000.0, 2000.0, 21)
mzs = np.linspace(100.0, 1100.0, 21) + 200
peaks = np.vstack((mzs, ii)).T
s1 = Spectrum(peaks,
rt=1.0,
msLevel=2,
polarity="+",
precursors=[(10.0, 1000)])
s2 = Spectrum(peaks,
rt=1.0,
msLevel=2,
polarity="+",
precursors=[(210.0, 1000)])
assert abs(
s1.cosine_distance(s2, 0.001, consider_precursor_shift=True) -
0.99986) < 1e-3
