def test_sum_product_pair_f8(self):
"""
Test :func:`~exa.math.misc.summation.sum_product_pair_f8`. This function
only works on 64-bit floating point numbers.
"""
with self.assertRaises(Exception) as ex:
sum_product_pair_f8(self.s0, self.s1)
exnb = 'Failed at nopython'
exnp = 'could not convert string to float'
ex = str(ex.exception)
self.assertTrue(exnb in ex or exnp in ex)
r = sum_product_pair_f8(self.f0, self.f0)
self.assertEqual(len(r), 250000)
self.assertTrue(all(isinstance(rr, np.float64) for rr in r))
r = sum_product_pair_f8(self.f0, self.f1)
self.assertEqual(len(r), 50000)
self.assertTrue(all(isinstance(rr, np.float64) for rr in r))
def symbols_to_radii():
'''Mapper from symbol pairs to sum of covalent radii.'''
df = Isotope.to_frame().drop_duplicates('symbol')
symbol = df['symbol'].values
radius = df['radius'].values
symbols = sum_product_pair(symbol, symbol)
s = pd.Series(sum_product_pair_f8(radius, radius))
s.index = symbols
return s
