rdkit.ML.DecTree.DecTree

Package rdkit :: Package ML :: Package DecTree :: Module DecTree |
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# Source Code for Module rdkit.ML.DecTree.DecTree

      1  #
      2  #  Copyright (C) 2000-2004  greg Landrum and Rational Discovery LLC
      3  #  All Rights Reserved
      4  #
      5  """ Defines the class _DecTreeNode_, used to represent decision trees
      6
      7    _DecTreeNode_ is derived from _Tree.TreeNode_
      8
      9  """
     10  from rdkit.ML.DecTree import Tree
     11
     12 -class DecTreeNode(Tree.TreeNode):
     13    """ This is used to represent decision trees
     14
     15     _DecTreeNode_s are simultaneously the roots and branches of decision trees.
     16     Everything is nice and recursive.
     17
     18     _DecTreeNode_s can save the following pieces of internal state, accessible via
     19       standard setter/getter functions:
     20
     21       1) _Examples_: a list of examples which have been classified
     22
     23       2) _BadExamples_: a list of examples which have been misclassified
     24
     25       3) _TrainingExamples_: the list of examples used to train the tree
     26
     27       4) _TestExamples_: the list of examples used to test the tree
     28
     29    """
     30 -  def __init__(self,*args,**kwargs):
     31      #apply(Tree.TreeNode.__init__,(self,)+args,kwargs)
     32      Tree.TreeNode.__init__(self, *args, **kwargs)
     33      self.examples = []
     34      self.badExamples = []
     35      self.trainingExamples = []
     36      self.testExamples = []
     37 -  def ClassifyExample(self,example,appendExamples=0):
     38      """ Recursively classify an example by running it through the tree
     39
     40        **Arguments**
     41
     42          - example: the example to be classified
     43
     44          - appendExamples: if this is nonzero then this node (and all children)
     45            will store the example
     46
     47        **Returns**
     48
     49          the classification of _example_
     50
     51        **NOTE:**
     52          In the interest of speed, I don't use accessor functions
     53          here.  So if you subclass DecTreeNode for your own trees, you'll
     54          have to either include ClassifyExample or avoid changing the names
     55          of the instance variables this needs.
     56
     57      """
     58      if appendExamples:
     59        self.examples.append(example)
     60      if self.terminalNode:
     61        return self.label
     62      else:
     63        val = example[self.label]
     64        return self.children[val].ClassifyExample(example,appendExamples)
     65
     66 -  def AddChild(self,name,label=None,data=None,isTerminal=0):
     67      """ Constructs and adds a child with the specified data to our list
     68
     69        **Arguments**
     70
     71         - name: the name of the new node
     72
     73         - label: the label of the new node (should be an integer)
     74
     75         - data: the data to be stored in the new node
     76
     77         - isTerminal: a toggle to indicate whether or not the new node is
     78           a terminal (leaf) node.
     79
     80        **Returns*
     81
     82          the _DecTreeNode_ which is constructed
     83
     84      """
     85      child = DecTreeNode(self,name,label,data,level=self.level+1,isTerminal=isTerminal)
     86      self.children.append(child)
     87      return child
     88
     89 -  def GetExamples(self):
     90      return self.examples
     91 -  def SetExamples(self,examples):
     92      self.examples = examples
     93
     94 -  def GetBadExamples(self):
     95      return self.badExamples
     96 -  def SetBadExamples(self,examples):
     97      self.badExamples = examples
     98
     99 -  def GetTrainingExamples(self):
    100      return self.trainingExamples
    101 -  def SetTrainingExamples(self,examples):
    102      self.trainingExamples = examples
    103
    104 -  def GetTestExamples(self):
    105      return self.testExamples
    106 -  def SetTestExamples(self,examples):
    107      self.testExamples = examples
    108
    109 -  def ClearExamples(self):
    110      self.examples = []
    111      self.badExamples = []
    112      self.trainingExamples = []
    113      self.testExamples = []
    114      for child in self.GetChildren():
    115        child.ClearExamples()
    116