rdkit.Chem.Suppliers.MolSupplier

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

     1  # $Id: MolSupplier.py 997 2009-02-25 06:12:43Z glandrum $
     2  #
     3  # Copyright (C) 2003-2006 greg Landrum and Rational Discovery LLC
     4  #
     5  #   @@ All Rights Reserved  @@
     6  #
     7  """ Supplies an abstract class for working with sequences of molecules
     8
     9  """
    10
    11 -class MolSupplier(object):
    12    """ we must, at minimum, support forward iteration
    13
    14    """
    15 -  def __init__(self):
    16      raise ValueError,'cannot instantiate MolSuppliers'
    17 -  def Reset(self):
    18      pass
    19 -  def __iter__(self):
    20      self.Reset()
    21      return self
    22
    23 -  def next(self):
    24      res = self.NextMol()
    25      if res is not None:
    26        return res
    27      else:
    28        raise StopIteration
    29
    30 -  def NextMol(self):
    31      """   Must be implemented in child class
    32
    33      """
    34      pass
    35