Ejemplo n.º 1
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 def __init__(self,fileName,delim="\t",nameColumn=1,smilesColumn=0,titleLine=0,
              **kwargs):
   SupplyNode.__init__(self,**kwargs)
   self._fileName = fileName
   self._supplier = Chem.SmilesMolSupplier(self._fileName,delimiter=delim,
                                           smilesColumn=smilesColumn,
                                           nameColumn=nameColumn,
                                           titleLine=titleLine)
Ejemplo n.º 2
0
 def __init__(self,
              fileName,
              delim="\t",
              nameColumn=1,
              smilesColumn=0,
              titleLine=0,
              **kwargs):
     SupplyNode.__init__(self, **kwargs)
     self._fileName = fileName
     self._supplier = Chem.SmilesMolSupplier(self._fileName,
                                             delimiter=delim,
                                             smilesColumn=smilesColumn,
                                             nameColumn=nameColumn,
                                             titleLine=titleLine)
Ejemplo n.º 3
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 def __init__(self, dbResults, **kwargs):
   SupplyNode.__init__(self, **kwargs)
   self._dbResults = dbResults
   self._supplier = DbMolSupplier.RandomAccessDbMolSupplier(self._dbResults, **kwargs)
Ejemplo n.º 4
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 def __init__(self, cursor, cmd, binaryCol, **kwargs):
     SupplyNode.__init__(self, **kwargs)
     self._dbResults = dbResults
     self._supplier = DbMolSupplier.RandomAccessDbMolSupplier(
         self._dbResults, **kwargs)
Ejemplo n.º 5
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 def __init__(self, cursor, cmd, binaryCol, **kwargs):
   SupplyNode.__init__(self, **kwargs)
   self._dbResults = dbResults
   self._supplier = DbMolSupplier.RandomAccessDbMolSupplier(self._dbResults, **kwargs)
Ejemplo n.º 6
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 def __init__(self, fileName, **kwargs):
     SupplyNode.__init__(self, **kwargs)
     self._fileName = fileName
     self._supplier = Chem.SDMolSupplier(self._fileName)
Ejemplo n.º 7
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 def __init__(self, fileName, **kwargs):
   SupplyNode.__init__(self, **kwargs)
   self._fileName = fileName
   self._supplier = Chem.SDMolSupplier(self._fileName)
Ejemplo n.º 8
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 def __init__(self, dbResults, **kwargs):
     SupplyNode.__init__(self, **kwargs)
     self._dbResults = dbResults
     self._supplier = DbMolSupplier.RandomAccessDbMolSupplier(
         self._dbResults, **kwargs)