rdkit.VLib.Filter module

class rdkit.VLib.Filter.FilterNode(func=None, negate=0, **kwargs)

Bases: rdkit.VLib.Node.VLibNode

base class for nodes which filter their input

Assumptions:

  • filter function takes a number of arguments equal to the number of inputs we have. It returns a bool
  • inputs (parents) can be stepped through in lockstep
  • we return a tuple if there’s more than one input
Usage Example:
>>> from rdkit.VLib.Supply import SupplyNode
>>> def func(a,b):
...   return a+b < 5
>>> filt = FilterNode(func=func)
>>> suppl1 = SupplyNode(contents=[1,2,3,3])
>>> suppl2 = SupplyNode(contents=[1,2,3,1])
>>> filt.AddParent(suppl1)
>>> filt.AddParent(suppl2)
>>> v = [x for x in filt]
>>> v
[(1, 1), (2, 2), (3, 1)]
>>> filt.reset()
>>> v = [x for x in filt]
>>> v
[(1, 1), (2, 2), (3, 1)]
>>> filt.Destroy()

Negation is also possible: >>> filt = FilterNode(func=func,negate=1) >>> suppl1 = SupplyNode(contents=[1,2,3,3]) >>> suppl2 = SupplyNode(contents=[1,2,3,1]) >>> filt.AddParent(suppl1) >>> filt.AddParent(suppl2) >>> v = [x for x in filt] >>> v [(3, 3)] >>> filt.Destroy()

With no function, just return the inputs: >>> filt = FilterNode() >>> suppl1 = SupplyNode(contents=[1,2,3,3]) >>> filt.AddParent(suppl1) >>> v = [x for x in filt] >>> v [1, 2, 3, 3] >>> filt.Destroy()

Negate()
SetNegate(state)
next()