def parse_abundance_dict_to_dataframe(abundance_dict):
atomic_number_dict = dict([(element_symbol2atomic_number(symbol), abundance_dict[symbol])
for symbol in abundance_dict])
atomic_numbers = sorted(atomic_number_dict.keys())
abundances = pd.Series([atomic_number_dict[z] for z in atomic_numbers], index=atomic_numbers)
abundance_norm = abundances.sum()
if abs(abundance_norm - 1) > 1e-12:
logger.warning('Given abundances don\'t add up to 1 (value = %g) - normalizing', abundance_norm)
abundances /= abundance_norm
return abundances
def parse_abundance_dict_to_dataframe(abundance_dict):
atomic_number_dict = dict([(element_symbol2atomic_number(symbol), abundance_dict[symbol])
for symbol in abundance_dict])
atomic_numbers = sorted(atomic_number_dict.keys())
abundances = pd.Series([atomic_number_dict[z] for z in atomic_numbers], index=atomic_numbers)
abundance_norm = abundances.sum()
if abs(abundance_norm - 1) > 1e-12:
logger.warn('Given abundances don\'t add up to 1 (value = %g) - normalizing', abundance_norm)
abundances /= abundance_norm
return abundances
def test_element_symbol2atomic_number(element_symbol, atomic_number):
assert element_symbol2atomic_number(element_symbol) == atomic_number
with pytest.raises(MalformedElementSymbolError):
element_symbol2atomic_number('Hx')
def test_element_symbol2atomic_number(element_symbol, atomic_number):
assert element_symbol2atomic_number(element_symbol) == atomic_number
with pytest.raises(MalformedElementSymbolError):
element_symbol2atomic_number('Hx')