[sqlalchemy] building query using list.

SQLAlchemy is the Python SQL toolkit and Object Relational Mapper that gives application developers the full power and flexibility of SQL.
This is very powerful tool to handle databases.
I build o/r mapper for some databases to build QSAR models.(can not show code…)
I want to build query using list, and asked google how to do it.
Then, I found “in_” method.

For exmple, using chembldb…
pychembldb is very cool library.

ids = ['1344708', '1273485', '1273478']  # they are "molregno". 
from pychembldb import *
query = chembldb.query(Molecule)
res = query.filter( Molecule.molregno.in_( ids ))
for m in res:
    print m.structure.cannonical_smiles

>    NC(=O)c1cnc(N)c2cc(sc12)c3ccc(cc3)N4CCOCC4
>   CNC(=O)c1cnc(N)c2cc(sc12)c3ccccc3
>    C(CN1CCCC1)Oc2ccc3Nc4nccc(n4)c5coc(COC\C=C\COCc2c3)c5

It’s very easy.


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