예제 #1
0
    def sample_peaks(self, rtmin, rtmax, mzmin, mzmax, npeaks, ms_level):

        if rtmin <= rtmax and mzmin < mzmax:
            all_mzs = []
            all_iis = []
            for rt, mzs, iis in self._iter_peaks(rtmin, rtmax, None, None, ms_level):
                all_mzs.append(mzs)
                all_iis.append(iis)
            peaks = sample_peaks_from_lists(all_mzs, all_iis, mzmin, mzmax, npeaks)
        else:
            peaks = np.zeros((0, 2))
        return peaks
예제 #2
0
def test_sample_peaks_from_lists(regtest):
    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)

    mz_list = [s.peaks[:, 0] for s in pm.spectra]
    ii_list = [s.peaks[:, 1].astype(np.float32) for s in pm.spectra]

    res = sample_peaks_from_lists(mz_list, ii_list, mzmin, mzmax, 10000)
    assert res is not None
    assert res.shape == (76, 2)
    print(res, file=regtest)
예제 #3
0
def test_sample_peaks_from_lists(regtest):
    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)

    mz_list = [s.peaks[:, 0] for s in pm.spectra]
    ii_list = [s.peaks[:, 1].astype(np.float32) for s in pm.spectra]

    res = sample_peaks_from_lists(mz_list, ii_list, mzmin, mzmax, 10000)
    assert res is not None
    assert res.shape == (76, 2)
    print(res, file=regtest)