def _export_spec_factory(self):
# dc = self.collector
# fb = dc.get_fit_block(-1, self.fits)
# rs_name, rs_text = self._assemble_script_blob()
rid = self.per_spec.run_spec.runid
# blanks = self.get_previous_blanks()
# dkeys = [d.name for d in self._active_detectors]
# sf = dict(zip(dkeys, fb))
# p = self._current_data_frame
ic = self.per_spec.isotope_group.get_ic_factor('CDD')
exp = MassSpecExportSpec(
runid=rid,
runscript_name=self.per_spec.runscript_name,
runscript_text=self.per_spec.runscript_blob,
# signal_fits=sf,
mass_spectrometer=self.per_spec.run_spec.mass_spectrometer.
capitalize(),
# blanks=blanks,
# data_path=p,
isotopes=self.per_spec.isotope_group.isotopes,
# signal_intercepts=si,
# signal_intercepts=self._processed_signals_dict,
is_peak_hop=self.per_spec.save_as_peak_hop,
ic_factor_v=float(nominal_value(ic)),
ic_factor_e=float(std_dev(ic)))
exp.load_record(self.per_spec.run_spec)
return exp
def _make_spec(self, ai):
rs_name, rs_text = '', ''
rid = ai.record_id
exp = MassSpecExportSpec(
runid=rid,
runscript_name=rs_name,
runscript_text=rs_text,
mass_spectrometer=ai.mass_spectrometer.capitalize(),
isotopes=ai.isotopes)
exp.load_record(ai)
return exp
def setUp(self):
data_path = '/Users/ross/Sandbox/aaaa_isotope.h5'
self.spec = MassSpecExportSpec(data_path=data_path)