Package rdkit :: Package VLib :: Package NodeLib :: Module SmilesSupply :: Class SmilesSupplyNode
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Class SmilesSupplyNode

source code

   object --+        
            |        
Node.VLibNode --+    
                |    
Supply.SupplyNode --+
                    |
                   SmilesSupplyNode

Smiles supplier

Sample Usage:
  >>> import os
  >>> from rdkit import RDConfig
  >>> fileN = os.path.join(RDConfig.RDCodeDir,'VLib','NodeLib',                             'test_data','pgp_20.txt')
  >>> suppl = SmilesSupplyNode(fileN,delim="\t",smilesColumn=2,nameColumn=1,titleLine=1)
  >>> ms = [x for x in suppl]
  >>> len(ms)
  20
  >>> ms[0].GetProp("_Name")
  'ALDOSTERONE'
  >>> ms[0].GetProp("ID")
  'RD-PGP-0001'
  >>> ms[1].GetProp("_Name")
  'AMIODARONE'
  >>> ms[3].GetProp("ID")
  'RD-PGP-0004'
  >>> suppl.reset()
  >>> suppl.next().GetProp("_Name")
  'ALDOSTERONE'
  >>> suppl.next().GetProp("_Name")
  'AMIODARONE'
  >>> suppl.reset()

Instance Methods [hide private]
 
__init__(self, fileName, delim='\t', nameColumn=1, smilesColumn=0, titleLine=0, **kwargs)
x.__init__(...) initializes x; see help(type(x)) for signature
source code
 
reset(self)
resets our iteration state
source code
 
next(self) source code
 
__next__(self) source code

Inherited from Supply.SupplyNode: AddParent

Inherited from Node.VLibNode: AddChild, 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, fileName, delim='\t', nameColumn=1, smilesColumn=0, titleLine=0, **kwargs)
(Constructor)

source code 
x.__init__(...) initializes x; see help(type(x)) for signature

Overrides: object.__init__
(inherited documentation)

reset(self)

source code 
resets our iteration state

    

Overrides: Node.VLibNode.reset
(inherited documentation)

next(self)

source code 


    

Overrides: Node.VLibNode.next

__next__(self)

source code 


    

Overrides: Node.VLibNode.next