# Copyright 2017
# (see accompanying license files for details).
"""Catalysis Generator."""
from collections import MutableMapping
from ase.data import covalent_radii
import numpy as np
radicals = np.ones(92)
radicals[[6, 7, 8, 9, 15, 16]] = [4, 3, 2, 1, 3, 2]
[docs]class Defaults(MutableMapping, dict):
"""No frills default dictionary class."""
def __init__(self):
self.update({
'covalent_radii': covalent_radii.copy(),
'radicals': radicals,
})
def __setitem__(self, key, val):
dict.__setitem__(self, key, val)
def __getitem__(self, key):
return dict.__getitem__(self, key)
defaults = Defaults()