def test_that_ionic_fractions_are_set_correctly(self, test_name):
errmsg = ""
elements_actual = self.instances[test_name].base_particles
inputs = tests[test_name]["inputs"]
if isinstance(inputs, dict):
input_keys = list(tests[test_name]["inputs"].keys())
input_keys = sorted(
input_keys,
key=lambda k: (
atomic_number(k),
mass_number(k) if Particle(k).isotope else 0,
),
)
for element, input_key in zip(elements_actual, input_keys):
expected = tests[test_name]["inputs"][input_key]
if isinstance(expected, u.Quantity):
expected = np.array(expected.value /
np.sum(expected.value))
actual = self.instances[test_name].ionic_fractions[element]
if not np.allclose(actual, expected):
errmsg += (
f"\n\nThere is a discrepancy in ionic fractions for "
f"({test_name}, {element}, {input_key})\n"
f" expected = {expected}\n"
f" actual = {actual}")
if not isinstance(actual, np.ndarray) or isinstance(
actual, u.Quantity):
raise ParticleError(
f"\n\nNot a numpy.ndarray: ({test_name}, {element})")
else:
elements_expected = {
particle_symbol(element)
for element in inputs
}
assert set(
self.instances[test_name].base_particles) == elements_expected
for element in elements_expected:
assert all(
np.isnan(
self.instances[test_name].ionic_fractions[element]))
if errmsg:
pytest.fail(errmsg)
def test_that_elements_and_isotopes_are_sorted(self, test_name):
elements = self.instances[test_name].base_particles
before_sorting = []
for element in elements:
atomic_numb = atomic_number(element)
try:
mass_numb = mass_number(element)
except InvalidIsotopeError:
mass_numb = 0
before_sorting.append((atomic_numb, mass_numb))
after_sorting = sorted(before_sorting)
assert before_sorting == after_sorting, (
f"Elements/isotopes are not sorted for test='{test_name}':\n"
f" before_sorting = {before_sorting}\n"
f" after_sorting = {after_sorting}\n"
f"where above is (atomic_number, mass_number if isotope else 0)")
def sort_key(k):
return atomic_number(k), mass_number(k) if Particle(
k).isotope else 0
