#!/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 "Carbon atoms:",
for atom in ComponentIteratorFactory.create(Atom, mol):
    if IsCarbon()(atom):
        print atom.getIndex(),
print
print "Number Carbon atoms:",
print quantify(ComponentIteratorFactory.create(Atom, mol), IsCarbon())