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

source code

object --+
         |
        SimilarityScreener
Known Subclasses:
ThresholdScreener, TopNScreener

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 x.__class__.__doc__ 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 This is potentially useful in initializing our internal probe object.
source code

Inherited from object: __delattr__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __repr__, __setattr__, __str__

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 x.__class__.__doc__ for signature

Overrides: object.__init__
(inherited documentation)

Reset(self)

source code 
used to reset screeners that behave as iterators