Chem.Pharm3D.ExcludedVolume

Package Chem :: Package Pharm3D :: Module ExcludedVolume |
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# Source Code for Module Chem.Pharm3D.ExcludedVolume

     1  # $Id: ExcludedVolume.py 2 2006-05-06 22:54:39Z 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