Package rdkit :: Package DataStructs :: Module BitEnsemble :: Class BitEnsemble
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Class BitEnsemble

source code

object --+
         |
        BitEnsemble

used to store a collection of bits and score
BitVects (or signatures) against them.

Instance Methods [hide private]
 
__init__(self, bits=None)
x.__init__(...) initializes x; see help(type(x)) for signature
source code
 
SetBits(self, bits) source code
 
AddBit(self, bit) source code
 
GetBits(self) source code
 
GetNumBits(self) source code
 
ScoreWithOnBits(self, other)
other must support GetOnBits()
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ScoreWithIndex(self, other)
other must support __getitem__()
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InitScoreTable(self, dbConn, tableName, idInfo='', actInfo='')
inializes a db table to store our scores
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ScoreToDb(self, sig, dbConn, tableName=None, id=None, act=None)
scores the "signature" that is passed in and puts the...
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, bits=None)
(Constructor)

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

Overrides: object.__init__
(inherited documentation)

InitScoreTable(self, dbConn, tableName, idInfo='', actInfo='')

source code 
inializes a db table to store our scores

idInfo and actInfo should be strings with the definitions of the id and
activity columns of the table (when desired)

ScoreToDb(self, sig, dbConn, tableName=None, id=None, act=None)

source code 
scores the "signature" that is passed in and puts the
results in the db table