#!/usr/bin/env python

"""
example of rdkit consuming infinite amount of memory
Pubchem compound CID 57383442
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=57383442
"""

from rdkit import Chem
smi = 'CCCOc1c2CNC(=O)c3cc(cc(c3)C(=O)NCc3cc4cc(CNC(=O)c5cc(C(=O)NCc1cc(c2)c1cc2CNC(=O)c6cc(cc(c6)C(=O)NCc6cc4cc(CNC(=O)c4cc(C(=O)NCc(c1)c2OCCC)cc(c4)C(=O)NC(COCCC(=O)O)(COCCC(=O)O)COCCC(=O)O)c6OCCC)C(=O)NC(COCCC(=O)O)(COCCC(=O)O)COCCC(=O)O)cc(c5)C(=O)NC(COCCC(=O)O)(COCCC(=O)O)COCCC(=O)O)c3OCCC)C(=O)NC(COCCC(=O)O)(COCCC(=O)O)COCCC(=O)O'

print "Calling MolFromSmiles WITHOUT sanitize"
m = Chem.MolFromSmiles(smi, sanitize=False )

print "Calling MolFromSmiles WITH sanitize"
m = Chem.MolFromSmiles(smi, sanitize=True )

print "It worked?"

# end of script