ó a#nSc@sMdZddlmZddd„Zdddd„Zee_ee_dS(s; This functionality gets mixed into the BitEnsemble class iÿÿÿÿ(t BitEnsembletcCs||r|g}ng}x%|jƒD]}|jd|ƒq%W|rV|j|ƒn|j|dj|ƒƒ||_dS(s« 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) sBit_%d smallintt,N(tGetBitstappendtAddTabletjoint _dbTableName(tselftdbConnt tableNametidInfotactInfotcolstbit((sa/public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/python2.7/site-packages/rdkit/DataStructs/BitEnsembleDb.pyt_InitScoreTables c CsÅ|dkr9y |j}Wq9tk r5td‚q9Xn|dk rQ|g}ng}d}x5|jƒD]'}||} |j| ƒ|| 7}qjW|dk r±|j|ƒn|j||ƒdS(sV scores the "signature" that is passed in and puts the results in the db table s9table name not set in BitEnsemble pre call to ScoreToDb()iN(tNoneRtAttributeErrort ValueErrorRRt InsertData( RtsigR R tidtactR tscoreRtb((sa/public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/python2.7/site-packages/rdkit/DataStructs/BitEnsembleDb.pyt _ScoreToDb"s         N(t__doc__trdkit.DataStructs.BitEnsembleRRRRtInitScoreTablet ScoreToDb(((sa/public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/python2.7/site-packages/rdkit/DataStructs/BitEnsembleDb.pyt s