Package rdkit :: Package VLib :: Package NodeLib :: Module SmilesDupeFilter :: Class DupeFilter

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# Class DupeFilter

source code

       object --+
                |
    Node.VLibNode --+
                    |
    Filter.FilterNode --+
                        |
                       DupeFilter

    canonical-smiles based duplicate filter

    Assumptions:

      - inputs are molecules

    Sample Usage:
      >>> from rdkit.VLib.NodeLib.SDSupply import SDSupplyNode
      >>> fileN = os.path.join(RDConfig.RDCodeDir,'VLib','NodeLib',                             'test_data','NCI_aids.10.sdf')
      >>> suppl = SDSupplyNode(fileN)
      >>> filt = DupeFilter()
      >>> filt.AddParent(suppl)
      >>> ms = [x for x in filt]
      >>> len(ms)
      10
      >>> ms[0].GetProp("_Name")
      '48'
      >>> ms[1].GetProp("_Name")
      '78'
      >>> filt.reset()
      >>> filt.next().GetProp("_Name")
      '48'

Instance Methods | [hide private]

__init__(self, **kwargs) x.__init__(...) initializes x; see help(type(x)) for signature | source code

reset(self) resets our iteration state | source code

filter(self, cmpd) | source code

Inherited from `Filter.FilterNode`: `Negate`, `SetNegate`, `next`

Inherited from `Node.VLibNode`: `AddChild`, `AddParent`, `Destroy`, `GetChildren`, `GetParents`, `RemoveChild`, `RemoveParent`, `__iter__`

Inherited from `object`: `__delattr__`, `__format__`, `__getattribute__`, `__hash__`, `__new__`, `__reduce__`, `__reduce_ex__`, `__repr__`, `__setattr__`, `__sizeof__`, `__str__`, `__subclasshook__`

Properties | [hide private]

Inherited from `object`: `__class__`

Method Details | [hide private]

### __init__(self, **kwargs)
(Constructor)

source code

    x.__init__(...) initializes x; see help(type(x)) for signature

Overrides: object.__init__
  (inherited documentation)

### reset(self)

source code

    resets our iteration state

Overrides: Node.VLibNode.reset
  (inherited documentation)