def test_row_to_spectrum():
intensities = [10.0, 20.0, 30.0, 40.0, 50.0]
columns = ["x", "wavelength_1.2", "y", "wavelength_2.3", "z"]
s = pd.Series(intensities, index=columns)
x, y = row_to_spectrum(s)
assert np.array_equal(x, [1.2, 2.3])
assert np.array_equal(y, [20.0, 40.0])
x, y = row_to_spectrum(intensities, columns=columns)
assert np.array_equal(x, [1.2, 2.3])
assert np.array_equal(y, [20.0, 40.0])
def label_spectrum_single(
row,
known_emission_lines,
peak_threshold_fraction,
label_peaks_strategy,
filter_elements_fraction,
delta):
xs, ys = row_to_spectrum(row)
px, py = extract_peaks(xs, ys,
threshold_fraction = peak_threshold_fraction,
delta = delta)
filtered_elements = filter_elements(px, known_emission_lines,
drop_if_below_fraction = filter_elements_fraction,
delta = delta,
group_by = ["elt", "ex"])
e_to_p, p_to_e, unlabeled = label_peaks(
px,
known_emission_lines,
delta = delta,
strategy = label_peaks_strategy)
labeled_peaks = json.dumps(p_to_e)
extra_columns = pd.Series([labeled_peaks], index = ['labeled_peaks'])
return row.append(extra_columns)
