def load_isotopes(symbol: str,
combobox: QtWidgets.QComboBox,
current_isotope=None,
show_std_mass=False):
"""Load isotopes of given element into given combobox.
Args:
symbol: string representation of an element, e.g. 'He'.
combobox: QComboBox to which items are added.
current_isotope: Current isotope to select it on combobox by default.
show_std_mass: if True, std mass is added as the first element
"""
combobox.clear()
# Sort isotopes based on their natural abundance
isotopes = Element.get_isotopes(symbol, include_st_mass=show_std_mass)
for idx, iso in enumerate(isotopes):
if iso["element"].isotope is None:
# Standard mass option
txt = f"{round(iso['element'].get_mass())} (st. mass)"
else:
# Isotope specific options
txt = f"{iso['element'].isotope} ({round(iso['abundance'], 3)}%)"
combobox.addItem(txt, userData=iso)
if current_isotope == iso["element"].isotope:
combobox.setCurrentIndex(idx)
def assert_isotopes_match(self, symbol, isotopes, include_st_mass):
isos = Element.get_isotopes(symbol, include_st_mass=include_st_mass)
self.assertEqual(len(isotopes), len(isos))
if include_st_mass and isos:
self.assertIsNone(isos[0]["abundance"])
for n, iso in zip(isotopes, isos):
self.assertEqual(["element", "abundance", "mass"],
list(iso.keys()))
self.assertEqual(Element("H", n), iso["element"])
def test_get_isotopes(self):
self.assert_isotopes_match("H", (1, 2), include_st_mass=False)
self.assert_isotopes_match("H", (None, 1, 2), include_st_mass=True)
self.assertEqual([], Element.get_isotopes("U", include_st_mass=True))