#!/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 nanotechsoftware.chemistry.graph import *
from nanotechsoftware.chemistry.match import *

import os

def createGraphFromSMILES(s):
    return createGraphWithComparators(createGraphEdit(fromSmiles(s)))



c = createGraphFromSMILES("c1c(O)cccc1").matchTotalUnique(createGraphFromSMILES("c1c(O)cccc1c2ccccc2"))

print "Number of matches ", c.size()

for mol in c:
    print "Atoms ",
    for a in ComponentIteratorFactory.create(Atom, mol):
        print a.getIndex(),
    print