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

Class BitEnsemble

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 x.__class__.__doc__ 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()

source code

ScoreWithIndex(self, other)
other must support __getitem__()

source code

InitScoreTable(self, dbConn, tableName, idInfo='', actInfo='')
inializes a db table to store our scores source code

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__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __repr__, __setattr__, __str__

Properties

[hide private]

Inherited from object: __class__

Method Details

[hide private]

init(self, bits=None)
(Constructor)

source code

x.__init__(...) initializes x; see x.__class__.__doc__ 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

Class BitEnsemble

__init__(self, bits=None) (Constructor)

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

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

init(self, bits=None)
(Constructor)

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