예제 #1
0
def test__heavy_atom_count():
    """ test graph.explicit_hydrogen_count
    """
    cgr = graph.explicit(C8H13O_CGR)
    assert graph.heavy_atom_count(cgr) == 9
예제 #2
0
 def __sort_value(args):
     _, gra = args
     val = (-heavy_atom_count(gra), -atom_count(gra), -electron_count(gra))
     return val