Package rdkit :: Package Chem :: Package Fingerprints :: Module SimilarityScreener :: Class SimilarityScreener

[hide private]
[frames] | no frames]

# Class SimilarityScreener

source code

    object --+
             |
            SimilarityScreener

    base class

    important attributes:
       probe: the probe fingerprint against which we screen.

       metric: a function that takes two arguments and returns a similarity
               measure between them

       dataSource: the source pool from which to draw, needs to support
               a next() method

       fingerprinter: a function that takes a molecule and returns a
              fingerprint of the appropriate format

     **Notes**
        subclasses must support either an iterator interface
        or __len__ and __getitem__

Instance Methods | [hide private]

__init__(self, probe=None, metric=None, dataSource=None, fingerprinter=None) x.__init__(...) initializes x; see help(type(x)) for signature | source code

Reset(self) used to reset screeners that behave as iterators... | source code

SetProbe(self, probeFingerprint) sets our probe fingerprint | source code

GetSingleFingerprint(self, probe) returns a fingerprint for a single probe object | source code

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, probe=None, metric=None, dataSource=None, fingerprinter=None)
(Constructor)

source code

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

Overrides: object.__init__
  (inherited documentation)

### Reset(self)

source code

    used to reset screeners that behave as iterators

### GetSingleFingerprint(self, probe)

source code

    returns a fingerprint for a single probe object

    This is potentially useful in initializing our internal
    probe object.