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  #
     2  # Copyright (C) 2003-2006 greg Landrum and Rational Discovery LLC
     3  #
     4  #   @@ All Rights Reserved @@
     5  #  This file is part of the RDKit.
     6  #  The contents are covered by the terms of the BSD license
     7  #  which is included in the file license.txt, found at the root
     8  #  of the RDKit source tree.
     9  #
    10  """ Supplies an abstract class for working with sequences of molecules
    11
    12  """
    13
    14
    15 -class MolSupplier(object):
    16    """ we must, at minimum, support forward iteration
    17
    18    """
    19
    20 -  def __init__(self):
    21      raise ValueError('cannot instantiate MolSuppliers')
    22
    23 -  def Reset(self):
    24      pass
    25
    26 -  def __iter__(self):
    27      self.Reset()
    28      return self
    29
    30 -  def next(self):
    31      res = self.NextMol()
    32      if res is not None:
    33        return res
    34      else:
    35        raise StopIteration
    36
    37 -  def NextMol(self):
    38      """   Must be implemented in child class
    39
    40      """
    41      pass
    42
    43    __next__ = next  # PY3
    44