rdkit.VLib.NodeLib.DbMolSupply module¶
- class rdkit.VLib.NodeLib.DbMolSupply.DbMolSupplyNode(dbResults, **kwargs)¶
Bases:
SupplyNode
Supplies molecules from a db result set:
- Sample Usage:
>>> from rdkit.Dbase.DbConnection import DbConnect >>> dbName = os.path.join(RDConfig.RDCodeDir,'Chem','Fingerprints', 'test_data','data.gdb') >>> conn = DbConnect(dbName,'simple_mols') >>> dataset = conn.GetData() >>> suppl = DbMolSupplyNode(dataset) >>> ms = [x for x in suppl] >>> len(ms) 12 >>> ms[0].GetProp("ID") 'ether-1' >>> ms[10].GetProp("ID") 'acid-4' >>> suppl.reset() >>> suppl.next().GetProp("ID") 'ether-1' >>> suppl.next().GetProp("ID") 'acid-1' >>> suppl.reset()
- next()¶
- reset()¶
resets our iteration state
- rdkit.VLib.NodeLib.DbMolSupply.GetNode(dbName, tableName)¶