rdkit.ML.DecTree.TreeVis

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

      1  # $Id$
      2  #
      3  #  Copyright (C) 2002,2003  Greg Landrum and Rational Discovery LLC
      4  #    All Rights Reserved
      5  #
      6  """ functionality for drawing trees on sping canvases
      7
      8  """
      9  from rdkit.sping import pid as piddle
     10  import math
     11
     12 -class VisOpts(object):
     13    circRad = 10
     14    minCircRad = 4
     15    maxCircRad = 16
     16    circColor = piddle.Color(0.6,0.6,0.9)
     17    terminalEmptyColor = piddle.Color(.8,.8,.2)
     18    terminalOnColor = piddle.Color(0.8,0.8,0.8)
     19    terminalOffColor = piddle.Color(0.2,0.2,0.2)
     20    outlineColor = piddle.transparent
     21    lineColor = piddle.Color(0,0,0)
     22    lineWidth = 2
     23    horizOffset = 10
     24    vertOffset = 50
     25    labelFont = piddle.Font(face='helvetica',size=10)
     26    highlightColor = piddle.Color(1.,1.,.4)
     27    highlightWidth = 2
     28
     29  visOpts = VisOpts()
     30
     31 -def CalcTreeNodeSizes(node):
     32    """Recursively calculate the total number of nodes under us.
     33
     34      results are set in node.totNChildren for this node and
     35      everything underneath it.
     36    """
     37    children = node.GetChildren()
     38    if len(children) > 0:
     39      nHere = 0
     40      nBelow=0
     41      for child in children:
     42        CalcTreeNodeSizes(child)
     43        nHere = nHere + child.totNChildren
     44        if child.nLevelsBelow > nBelow:
     45          nBelow = child.nLevelsBelow
     46    else:
     47      nBelow = 0
     48      nHere = 1
     49
     50    node.nExamples = len(node.GetExamples())
     51    node.totNChildren = nHere
     52    node.nLevelsBelow = nBelow+1
     53
     54 -def _ExampleCounter(node,min,max):
     55    if node.GetTerminal():
     56      cnt = node.nExamples
     57      if cnt < min: min = cnt
     58      if cnt > max: max = cnt
     59    else:
     60      for child in node.GetChildren():
     61        provMin,provMax = _ExampleCounter(child,min,max)
     62        if provMin < min: min = provMin
     63        if provMax > max: max = provMax
     64    return min,max
     65
     66 -def _ApplyNodeScales(node,min,max):
     67    if node.GetTerminal():
     68      if max!=min:
     69        loc = float(node.nExamples - min)/(max-min)
     70      else:
     71        loc = .5
     72      node._scaleLoc = loc
     73    else:
     74      for child in node.GetChildren():
     75        _ApplyNodeScales(child,min,max)
     76
     77 -def SetNodeScales(node):
     78    min,max = 1e8,-1e8
     79    min,max = _ExampleCounter(node,min,max)
     80    node._scales=min,max
     81    _ApplyNodeScales(node,min,max)
     82
     83
     84 -def DrawTreeNode(node,loc,canvas,nRes=2,scaleLeaves=False,showPurity=False):
     85    """Recursively displays the given tree node and all its children on the canvas
     86    """
     87    try:
     88      nChildren = node.totNChildren
     89    except AttributeError:
     90      nChildren = None
     91    if nChildren is None:
     92      CalcTreeNodeSizes(node)
     93
     94    if not scaleLeaves or not node.GetTerminal():
     95      rad = visOpts.circRad
     96    else:
     97      scaleLoc = getattr(node, "_scaleLoc", 0.5)
     98
     99      rad = visOpts.minCircRad + node._scaleLoc*(visOpts.maxCircRad-visOpts.minCircRad)
    100
    101    x1 = loc[0] - rad
    102    y1 = loc[1] - rad
    103    x2 = loc[0] + rad
    104    y2 = loc[1] + rad
    105
    106
    107    if showPurity and node.GetTerminal():
    108      examples = node.GetExamples()
    109      nEx = len(examples)
    110      if nEx:
    111        tgtVal = int(node.GetLabel())
    112        purity = 0.0
    113        for ex in examples:
    114          if int(ex[-1])==tgtVal:
    115            purity += 1./len(examples)
    116      else:
    117        purity = 1.0
    118
    119      deg = purity*math.pi
    120      xFact = rad*math.sin(deg)
    121      yFact = rad*math.cos(deg)
    122      pureX = loc[0]+xFact
    123      pureY = loc[1]+yFact
    124
    125
    126    children = node.GetChildren()
    127    # just move down one level
    128    childY = loc[1] + visOpts.vertOffset
    129    # this is the left-hand side of the leftmost span
    130    childX = loc[0] - ((visOpts.horizOffset+visOpts.circRad)*node.totNChildren)/2
    131    for i in range(len(children)):
    132      # center on this child's space
    133      child = children[i]
    134      halfWidth = ((visOpts.horizOffset+visOpts.circRad)*child.totNChildren)/2
    135
    136      childX = childX + halfWidth
    137      childLoc = [childX,childY]
    138      canvas.drawLine(loc[0],loc[1],childLoc[0],childLoc[1],
    139                      visOpts.lineColor,visOpts.lineWidth)
    140      DrawTreeNode(child,childLoc,canvas,nRes=nRes,scaleLeaves=scaleLeaves,
    141                   showPurity=showPurity)
    142
    143      # and move over to the leftmost point of the next child
    144      childX = childX + halfWidth
    145
    146    if node.GetTerminal():
    147      lab = node.GetLabel()
    148      cFac = float(lab)/float(nRes-1)
    149      if hasattr(node,'GetExamples') and node.GetExamples():
    150        theColor = (1.-cFac)*visOpts.terminalOffColor + cFac*visOpts.terminalOnColor
    151        outlColor = visOpts.outlineColor
    152      else:
    153        theColor = (1.-cFac)*visOpts.terminalOffColor + cFac*visOpts.terminalOnColor
    154        outlColor = visOpts.terminalEmptyColor
    155      canvas.drawEllipse(x1,y1,x2,y2,
    156                         outlColor,visOpts.lineWidth,
    157                         theColor)
    158      if showPurity:
    159        canvas.drawLine(loc[0],loc[1],pureX,pureY,piddle.Color(1,1,1),2)
    160    else:
    161      theColor = visOpts.circColor
    162      canvas.drawEllipse(x1,y1,x2,y2,
    163                         visOpts.outlineColor,visOpts.lineWidth,
    164                         theColor)
    165
    166      # this does not need to be done every time
    167      canvas.defaultFont=visOpts.labelFont
    168
    169      labelStr = str(node.GetLabel())
    170      strLoc = (loc[0] - canvas.stringWidth(labelStr)/2,
    171                loc[1]+canvas.fontHeight()/4)
    172
    173      canvas.drawString(labelStr,strLoc[0],strLoc[1])
    174    node._bBox = (x1,y1,x2,y2)
    175
    176 -def CalcTreeWidth(tree):
    177    try:
    178      tree.totNChildren
    179    except AttributeError:
    180      CalcTreeNodeSizes(tree)
    181    totWidth = tree.totNChildren * (visOpts.circRad+visOpts.horizOffset)
    182    return totWidth
    183
    184 -def DrawTree(tree,canvas,nRes=2,scaleLeaves=False,allowShrink=True,showPurity=False):
    185    dims = canvas.size
    186    loc  = (dims[0]/2,visOpts.vertOffset)
    187    if scaleLeaves:
    188      #try:
    189      #  l = tree._scales
    190      #except AttributeError:
    191      #  l = None
    192      #if l is None:
    193        SetNodeScales(tree)
    194    if allowShrink:
    195      treeWid = CalcTreeWidth(tree)
    196      while treeWid > dims[0]:
    197        visOpts.circRad /= 2
    198        visOpts.horizOffset /= 2
    199        treeWid = CalcTreeWidth(tree)
    200    DrawTreeNode(tree,loc,canvas,nRes,scaleLeaves=scaleLeaves,
    201                 showPurity=showPurity)
    202
    203 -def ResetTree(tree):
    204    tree._scales = None
    205    tree.totNChildren = None
    206    for child in tree.GetChildren():
    207      ResetTree(child)
    208
    209 -def _simpleTest(canv):
    210    from Tree import TreeNode as Node
    211    root = Node(None,'r',label='r')
    212    c1 = root.AddChild('l1_1',label='l1_1')
    213    c2 = root.AddChild('l1_2',isTerminal=1,label=1)
    214    c3 = c1.AddChild('l2_1',isTerminal=1,label=0)
    215    c4 = c1.AddChild('l2_2',isTerminal=1,label=1)
    216
    217    DrawTreeNode(root,(150,visOpts.vertOffset),canv)
    218
    219
    220  if __name__ == '__main__':
    221    from rdkit.sping.PIL.pidPIL import PILCanvas
    222    canv = PILCanvas(size=(300,300),name='test.png')
    223    _simpleTest(canv)
    224    canv.save()
    225