def create_atlas(b):
identifications = list()
file_names = wfiles.value
compound_name = wcompounds.value
idx2 = compound_idx[compound_name]
atlas = metob.Atlas()
atlas.name = wfname.value
# create an empty rt reference
rt_ref = metob.RtReference()
rt_ref.rt_min = rtmin_widget.value
rt_ref.rt_max = rtmax_widget.value
rt_ref.rt_peak = rtpeak_widget.value
rt_ref.rt_units = data[0][idx2]['identification'].rt_references[0].rt_units
# create an empty mz_reference
mz_ref = metob.MzReference()
mz_ref.mz = data[0][idx2]['identification'].mz_references[0].mz
mz_ref.mz_tolerance = data[0][idx2]['identification'].mz_references[
0].mz_tolerance
mz_ref.mz_tolerance_units = data[0][idx2]['identification'].mz_references[
0].mz_tolerance_units
mz_ref.detected_polarity = data[0][idx2]['identification'].mz_references[
0].detected_polarity
identification = metob.CompoundIdentification()
identification.compoud = compound_name
identification.name = compound_name
identification.rt_references = [rt_ref]
identification.mz_references = [mz_ref]
identifications.append(identification)
atlas.compound_identifications = identifications
def test_id_grade_trait():
e = mo.IdentificationGrade(name='E')
mo.store(e)
cid = mo.CompoundIdentification(identification_grade='e')
assert cid.identification_grade.unique_id == e.unique_id