rdkit.VLib.NodeLib.SmilesOutput module

class rdkit.VLib.NodeLib.SmilesOutput.OutputNode(dest=None, delim='t', idField=None, **kwargs)

Bases: rdkit.VLib.Output.OutputNode

dumps smiles output

Assumptions:

• destination supports a write() method
• inputs (parents) can be stepped through in lockstep

Usage Example:

>>> smis = ['C1CCC1','C1CC1','C=O','NCC']
>>> mols = [Chem.MolFromSmiles(x) for x in smis]
>>> from rdkit.VLib.Supply import SupplyNode
>>> suppl = SupplyNode(contents=mols)
>>> from rdkit.six import StringIO
>>> sio = StringIO()
>>> node = OutputNode(dest=sio,delim=', ')
>>> node.AddParent(suppl)
>>> ms = [x for x in node]
>>> len(ms)
4
>>> txt = sio.getvalue()
>>> repr(txt)
"'1, C1CCC1\\n2, C1CC1\\n3, C=O\\n4, CCN\\n'"

reset()

smilesOut(mol)