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

source code

object --+
         |
        SimilarityScreener
Known Subclasses:

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)

GetSingleFingerprint(self, probe)

source code 
returns a fingerprint for a single probe object

This is potentially useful in initializing our internal
probe object.