rdkit.Chem.Suppliers.DbMolSupplier module — The RDKit 2016.09.1 documentation

# rdkit.Chem.Suppliers.DbMolSupplier module

Supplies a class for working with molecules from databases

class `rdkit.Chem.Suppliers.DbMolSupplier.` `DbMolSupplier`(dbResults, molColumnFormats={'MOLPKL': 'PKL', 'SMILES': 'SMI', 'SMI': 'SMI'}, nameCol='', transformFunc=None, **kwargs)

  Bases: `rdkit.Chem.Suppliers.MolSupplier.MolSupplier`

  new molecules come back with all additional fields from the database set in a “_fieldsFromDb” data member

  `GetColumnNames`()

class `rdkit.Chem.Suppliers.DbMolSupplier.` `ForwardDbMolSupplier`(dbResults, **kwargs)

  Bases: `rdkit.Chem.Suppliers.DbMolSupplier.DbMolSupplier`

  DbMol supplier supporting only forward iteration

  new molecules come back with all additional fields from the database set in a “_fieldsFromDb” data member

  `NextMol`()

    NOTE: this has side effects

  `Reset`()

class `rdkit.Chem.Suppliers.DbMolSupplier.` `RandomAccessDbMolSupplier`(dbResults, **kwargs)

  Bases: `rdkit.Chem.Suppliers.DbMolSupplier.DbMolSupplier`

  `NextMol`()
  `Reset`()

`rdkit.Chem.Suppliers.DbMolSupplier.` `warning`(msg, dest=<_io.TextIOWrapper name='<stderr>' mode='w' encoding='UTF-8'>)