#!/usr/bin/env python

from nanotechsoftware.base import *
from nanotechsoftware.chemistry import *
from nanotechsoftware.chemistry.framework import *
from nanotechsoftware.chemistry.core import *
from nanotechsoftware.chemistry.io import *

from itertools import *

import os

def quantify(seq, pred = bool):
    return sum(imap(pred, seq))



mol = fromSmiles("c1c(C)c(O)c(N)cc1")

print "Number of Aromatic Oxygens = ",
print quantify(CompositeIteratorFactory.create(Atom, mol),
               And(IsOxygen(), IsAromatic()))

print "Number of Non-Carbons = ",
print quantify(CompositeIteratorFactory.create(Atom, mol),
               Not(IsCarbon()))