Exemple #1
0
def test_sample_peaks():
    pm = _load()
    rtmin = pm.spectra[0].rt
    rtmax = pm.spectra[-1].rt
    mzmin = min(min(s.peaks[:, 0]) for s in pm.spectra)
    mzmax = max(max(s.peaks[:, 0]) for s in pm.spectra)

    res = sample_peaks(pm, rtmin, rtmax, mzmin, mzmax, 1)
    assert res is not None
    assert res.shape == (1, 2)

    res = sample_peaks(pm, rtmin, rtmax, mzmin, mzmax, 10000)
    assert res is not None
    assert res.shape == (9876, 2)

    s0 = pm.spectra[0]
    pm.spectra = [s0]
    res = sample_peaks(pm, rtmin, rtmax, mzmin, mzmax, 10000)
    assert res is not None
    assert res.shape == (76, 2), res.shape
    dist = np.linalg.norm(res[0:2, :] - pm.spectra[0].peaks[0:2, :])
    assert dist == 0.0
Exemple #2
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 def do_backspace_pressed(self, filter, evt):
     """ reset axes of plot """
     all_peaks = []
     for i, (pm, rtmin, rtmax, mzmin, mzmax, npeaks) in enumerate(self.data):
         peaks = sample_peaks(pm, rtmin, rtmax, mzmin, mzmax, npeaks)
         curve = self.curves[i]
         curve.set_data(peaks[:, 0], peaks[:, 1])
         all_peaks.append(peaks)
     if len(all_peaks):
         self.all_peaks = np.vstack(all_peaks)
     else:
         self.all_peaks = np.zeros((0, 2))
     self.reset_x_limits()
Exemple #3
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def test_sample_peaks():
    pm = _load()
    rtmin = pm.spectra[0].rt
    rtmax = pm.spectra[-1].rt
    mzmin = min(min(s.peaks[:, 0]) for s in pm.spectra)
    mzmax = max(max(s.peaks[:, 0]) for s in pm.spectra)

    res = sample_peaks(pm, rtmin, rtmax, mzmin, mzmax, 1)
    assert res is not None
    assert res.shape == (1, 2)

    res = sample_peaks(pm, rtmin, rtmax, mzmin, mzmax, 10000)
    assert res is not None
    assert res.shape == (9876, 2)

    s0 = pm.spectra[0]
    pm.spectra = [s0]
    res = sample_peaks(pm, rtmin, rtmax, mzmin, mzmax, 10000)
    assert res is not None
    assert res.shape == (76, 2), res.shape
    dist = np.linalg.norm(res[0:2, :] - pm.spectra[0].peaks[0:2, :])
    assert dist == 0.0
Exemple #4
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 def resample_peaks(self, mzmin, mzmax):
     if mzmin == self.latest_mzmin and mzmax == self.latest_mzmax:
         return
     self.latest_mzmin = mzmin
     self.latest_mzmax = mzmax
     all_peaks = []
     for i, (pm, rtmin, rtmax, __, __, npeaks) in enumerate(self.data):
         peaks = sample_peaks(pm, rtmin, rtmax, mzmin, mzmax, npeaks)
         curve = self.curves[i]
         curve.set_data(peaks[:, 0], peaks[:, 1])
         all_peaks.append(peaks)
     if len(all_peaks):
         self.all_peaks = np.vstack(all_peaks)
     else:
         self.all_peaks = np.zeros((0, 2))