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

type 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)

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

Method Details

[hide private]

init(self, bits=None)
(Constructor)

source code

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

type 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=`''`)