rdkit.VLib.Transform module

class rdkit.VLib.Transform.TransformNode(func=None, **kwargs)

Bases: rdkit.VLib.Node.VLibNode

base class for nodes which filter their input

Assumptions:

  • transform function takes a number of arguments equal to the number of inputs we have. We return whatever it returns
  • inputs (parents) can be stepped through in lockstep
Usage Example:
>>> from rdkit.VLib.Supply import SupplyNode
>>> def func(a,b):
...   return a+b
>>> tform = TransformNode(func)
>>> suppl1 = SupplyNode(contents=[1,2,3,3])
>>> suppl2 = SupplyNode(contents=[1,2,3,1])
>>> tform.AddParent(suppl1)
>>> tform.AddParent(suppl2)
>>> v = [x for x in tform]
>>> v
[2, 4, 6, 4]
>>> tform.reset()
>>> v = [x for x in tform]
>>> v
[2, 4, 6, 4]

If we don’t provide a function, just return the inputs: >>> tform = TransformNode() >>> suppl1 = SupplyNode(contents=[1,2,3,3]) >>> suppl2 = SupplyNode(contents=[1,2,3,1]) >>> tform.AddParent(suppl1) >>> tform.AddParent(suppl2) >>> v = [x for x in tform] >>> v [(1, 1), (2, 2), (3, 3), (3, 1)]

next()