rdkit.ML.DecTree.QuantTree module

Defines the class _QuantTreeNode_, used to represent decision trees with automatic quantization bounds

_QuantTreeNode_ is derived from _DecTree.DecTreeNode_
class rdkit.ML.DecTree.QuantTree.QuantTreeNode(*args, **kwargs)

Bases: rdkit.ML.DecTree.DecTree.DecTreeNode

ClassifyExample(example, appendExamples=0)

Recursively classify an example by running it through the tree

Arguments

  • example: the example to be classified
  • appendExamples: if this is nonzero then this node (and all children) will store the example

Returns

the classification of _example_
NOTE:
In the interest of speed, I don’t use accessor functions here. So if you subclass DecTreeNode for your own trees, you’ll have to either include ClassifyExample or avoid changing the names of the instance variables this needs.
GetQuantBounds()
SetQuantBounds(qBounds)