def test_amchar(am):
# Check that converting am characters, etc, is consistent
s = lut.amint_to_char([am])
assert am == lut.amchar_to_int(s)[0]
combined = list(range(am + 1))
s = lut.amint_to_char(combined)
assert combined == lut.amchar_to_int(s)
am = [a[0] for a in am]
if len(set(am)) != len(am):
raise RuntimeError("Duplicate AM?")
# Now loop over the shells and trim
old_shells = sorted(eldata.pop('electron_shells'),
key=lambda x: x['angular_momentum'][0])
for idx2, sh in enumerate(old_shells):
if idx2 >= len(el_split):
continue
shell_split = el_split[idx2]
n = int(shell_split[:-1])
amchar = shell_split[-1]
assert lut.amchar_to_int(amchar) == sh['angular_momentum']
sh['coefficients'] = sh['coefficients'][:n]
new_shells.append(sh)
eldata['electron_shells'] = new_shells
# Remove elements that aren't in the new contraction
for el in missing_el:
new_basis['elements'].pop(el)
new_basis = manip.prune_basis(new_basis)
fileio.write_json_basis(name + '.1.json', new_basis)