Package rdkit :: Package Chem :: Package Suppliers :: Module MolSupplier
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Source Code for Module rdkit.Chem.Suppliers.MolSupplier

 1  # $Id$ 
 2  # 
 3  # Copyright (C) 2003-2006 greg Landrum and Rational Discovery LLC 
 4  # 
 5  #   @@ All Rights Reserved @@ 
 6  #  This file is part of the RDKit. 
 7  #  The contents are covered by the terms of the BSD license 
 8  #  which is included in the file license.txt, found at the root 
 9  #  of the RDKit source tree. 
10  # 
11  """ Supplies an abstract class for working with sequences of molecules 
12   
13  """ 
14   
15 -class MolSupplier(object):
16 """ we must, at minimum, support forward iteration 17 18 """
19 - def __init__(self):
20 raise ValueError('cannot instantiate MolSuppliers')
21 - def Reset(self):
22 pass
23 - def __iter__(self):
24 self.Reset() 25 return self
26
27 - def next(self):
28 res = self.NextMol() 29 if res is not None: 30 return res 31 else: 32 raise StopIteration
33
34 - def NextMol(self):
35 """ Must be implemented in child class 36 37 """ 38 pass
39