B ž3Rc!ã@s4dZddlmZd dd„Zd dd„Zee_ee_dS) z; This functionality gets mixed into the BitEnsemble class é)Ú BitEnsembleÚcCsZ|r |g}ng}x| ¡D]}| d|¡qW|r>| |¡| |d |¡¡||_dS)z« 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) zBit_%d smallintú,N)ÚGetBitsÚappendZAddTableÚjoinÚ _dbTableName)ÚselfÚdbConnÚ tableNameZidInfoZactInfoÚcolsÚbit©rú>lib/python3.7/site-packages/rdkit/DataStructs/BitEnsembleDb.pyÚ_InitScoreTables rNc Cs–|dkr0y |j}Wntk r.tdƒ‚YnX|dk r@|g}ng}d}x*| ¡D]}||} | | ¡|| 7}qRW|dk r†| |¡| ||¡dS)zT scores the "signature" that is passed in and puts the results in the db table Nz9table name not set in BitEnsemble pre call to ScoreToDb()r)rÚAttributeErrorÚ ValueErrorrrZ InsertData) r Zsigr r ÚidZactr Zscorer ÚbrrrÚ _ScoreToDb$s     r)rr)NNN)Ú__doc__Zrdkit.DataStructs.BitEnsemblerrrZInitScoreTableZ ScoreToDbrrrrÚ s