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
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)
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)
