Package Chem :: Module FastSDMolSupplier :: Class FastSDMolSupplier

Class FastSDMolSupplier

object --+
         |
        FastSDMolSupplier

A wrapper around an SDMolSupplier that precomputes and stores 
molecular indices (via text processing) to allow quick length 
calculations and random access.

NOTE that this class needs to have the entire SD data in memory,
so it's probably not particularly useful with large files.

Instance Methods

[hide private]

__init__(self, fileN=None, data=None, sanitize=True, removeHs=True)
x.__init__(...) initializes x; see x.__class__.__doc__ for signature

source code

init(self, data, recogTxt='$$$$\n') source code

GetItemText(self, idx)

source code

reset(self)

source code

__iter__(self)

source code

next(self)

source code

__len__(self)

source code

__getitem__(self, idx)

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Inherited from object: __delattr__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __repr__, __setattr__, __str__

Class Variables

[hide private]

suppl = None

data = None

sanitize = True

Properties

[hide private]

Inherited from object: __class__

Method Details

[hide private]

init(self, fileN=None, data=None, sanitize=True, removeHs=True)
(Constructor)

source code

x.__init__(...) initializes x; see x.__class__.__doc__ for signature

Overrides: object.__init__: (inherited documentation)

Class FastSDMolSupplier

__init__(self, fileN=None, data=None, sanitize=True, removeHs=True) (Constructor)

init(self, fileN=None, data=None, sanitize=True, removeHs=True)
(Constructor)