type SmilesSupplyNode
source code
object --+
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Node.VLibNode --+
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Supply.SupplyNode --+
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SmilesSupplyNode
Smiles supplier
Sample Usage:
>>> 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()
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__init__(self,
fileName,
delim=' \t ' ,
nameColumn=1,
smilesColumn=0,
titleLine=0,
**kwargs) |
source code
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Inherited from Supply.SupplyNode :
AddParent
Inherited from Node.VLibNode :
AddChild ,
Destroy ,
GetChildren ,
GetParents ,
RemoveChild ,
RemoveParent ,
__iter__
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