Source Code for Module Chem.Pharm3D.ExcludedVolume

 1  # $Id: ExcludedVolume.py 742 2008-07-05 07:42:38Z glandrum $ 
 2  # 
 3  # Copyright (C) 2004-2006 Rational Discovery LLC 
 4  # 
 5  #   @@ All Rights Reserved  @@ 
 6  # 
 7 -class ExcludedVolume(object): 
 8 -  def __init__(self, featInfo,index=-1,exclusionDist=3.0): 
 9      """ 
10      featInfo should be a sequence of ([indices],min,max) tuples 
11   
12      """ 
13      self.index = index 
14      try: 
15        l = len(featInfo) 
16      except AttributeError: 
17        raise ValueError,'featInfo argument must be a sequence of sequences' 
18   
19      if not len(featInfo): 
20        raise ValueError,'featInfo argument must non-empty' 
21         
22      try: 
23        a,b,c = featInfo[0] 
24      except Type: 
25        raise ValueError,'featInfo elements must be 3-sequences' 
26      except ValueError: 
27        raise ValueError,'featInfo elements must be 3-sequences' 
28   
29      self.featInfo = featInfo[:] 
30      self.exclusionDist = exclusionDist 
31      self.pos = None 
32