#!/usr/bin/env python
# ch5-2.py
from openeye.oechem import *
import os, sys

mol = OEGraphMol()
OEParseSmiles(mol, "c1ccccc1")
mol.SetTitle("benzene")

# now set some tagged data
OESetSDData(mol, 'color', 'brown')
OESetSDData(mol, 'size', 'small')
OESetSDData(mol, 'natoms', str(mol.NumAtoms())) 

# loop over data and print it out
for dp in OEGetSDDataPairs(mol):
   sys.stdout.write('%s : %s\n' % (dp.GetTag(), dp.GetValue()))
 
# check for existence of a field, then delete it
if OEHasSDData(mol, 'color') == 1:
    OEDeleteSDData(mol, 'color')

# one last loop shows no 'color' field
for dp in OEGetSDDataPairs(mol):
    sys.stdout.write('%s : %s\n' % (dp.GetTag(), dp.GetValue()))