rdkit.Chem.Fingerprints.DbFpSupplier.RandomAccessDbFpSupplier

Package rdkit :: Package Chem :: Package Fingerprints :: Module DbFpSupplier :: Class RandomAccessDbFpSupplier |
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# Class RandomAccessDbFpSupplier

source code

            object --+
                     |
    VLib.Node.VLibNode --+
                         |
              DbFpSupplier --+
                             |
                            RandomAccessDbFpSupplier

    DbFp supplier supporting random access:
    >>> import os.path
    >>> from rdkit.Dbase.DbConnection import DbConnect
    >>> fName = RDConfig.RDTestDatabase
    >>> conn = DbConnect(fName,'simple_combined')
    >>> suppl = RandomAccessDbFpSupplier(conn.GetData())
    >>> len(suppl)
    12

    we can pull individual fingerprints:
    >>> fp = suppl[5]
    >>> fp.GetNumBits()
    128
    >>> fp.GetNumOnBits()
    54

    a standard loop over the fingerprints:
    >>> fps = []
    >>> for fp in suppl:
    ...   fps.append(fp)
    >>> len(fps)
    12

    or we can use an indexed loop:
    >>> fps = [None]*len(suppl)
    >>> for i in range(len(suppl)):
    ...   fps[i] = suppl[i]
    >>> len(fps)
    12

Instance Methods | [hide private]
__init__(self, *args, **kwargs) | source code
__len__(self) | source code
__getitem__(self, idx) | source code
reset(self) resets our iteration state | source code
NextItem(self) | source code
Inherited from `DbFpSupplier`: `GetColumnNames`, `__next__`, `next` Inherited from `DbFpSupplier` (private): `_BuildFp` Inherited from `VLib.Node.VLibNode`: `AddChild`, `AddParent`, `Destroy`, `GetChildren`, `GetParents`, `RemoveChild`, `RemoveParent`, `__iter__` Inherited from `object`: `__delattr__`, `__format__`, `__getattribute__`, `__hash__`, `__new__`, `__reduce__`, `__reduce_ex__`, `__repr__`, `__setattr__`, `__sizeof__`, `__str__`, `__subclasshook__`

Properties | [hide private]
Inherited from `object`: `__class__`

Method Details | [hide private]

### __init__(self, *args, **kwargs) (Constructor) | source code
    DbResults should be a subclass of Dbase.DbResultSet.DbResultBase
Overrides: object.__init__ (inherited documentation)

### reset(self) | source code
    resets our iteration state
Overrides: VLib.Node.VLibNode.reset (inherited documentation)