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