#!/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.processor import *
from nanotechsoftware.chemistry.io import *

import os


 
mol = XYZ(os.environ['EXAMPLESPATH'] + os.sep + 'caffeine.xyz')

BuildBondsProcessor()(mol)
AssignBondOrderProcessor()(mol)
AssignTypeProcessor()(mol)

for atom in CompositeIteratorFactory.create(Atom, mol) :
    print atom.getType('INT')

for bond in CompositeIteratorFactory.create(Bond, mol) :
    print bond.getOrder()