rdkit.VLib.NodeLib.SmilesSupply module — The RDKit 2025.09.6 documentation

# rdkit.VLib.NodeLib.SmilesSupply module

class rdkit.VLib.NodeLib.SmilesSupply.SmilesSupplyNode(fileName, delim='\t', nameColumn=1, smilesColumn=0, titleLine=0, **kwargs)

  Bases: `SupplyNode`

  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()

  next()
  reset()

    resets our iteration state