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