Source Code for Module rdkit.DataStructs.BitUtils

 1  # $Id: BitUtils.py 997 2009-02-25 06:12:43Z glandrum $ 
 2  # 
 3  #  Copyright (C) 2005-2006  greg Landrum and Rational Discovery LLC 
 4  # 
 5  #   @@ All Rights Reserved  @@ 
 6  # 
 7 -def ConstructEnsembleBV(bv,bitsToKeep): 
 8    """ 
 9   
10    >>> from rdkit import DataStructs 
11    >>> bv = DataStructs.ExplicitBitVect(128) 
12    >>> bv.SetBitsFromList((1,5,47,99,120)) 
13    >>> r = ConstructEnsembleBV(bv,(0,1,2,3,45,46,47,48,49)) 
14    >>> r.GetNumBits() 
15    9 
16    >>> r.GetBit(0) 
17    0 
18    >>> r.GetBit(1) 
19    1 
20    >>> r.GetBit(5) 
21    0 
22    >>> r.GetBit(6)  # old bit 47 
23    1 
24     
25     
26   
27    """ 
28    finalSize=len(bitsToKeep) 
29    res = bv.__class__(finalSize) 
30   
31   
32    for i,bit in enumerate(bitsToKeep): 
33      if bv.GetBit(bit): 
34        res.SetBit(i) 
35    return res 
36     
37   
38  #------------------------------------ 
39  # 
40  #  doctest boilerplate 
41  # 
42 -def _test(): 
43    import doctest,sys 
44    return doctest.testmod(sys.modules["__main__"]) 
45   
46  if __name__ == '__main__': 
47    import sys 
48    failed,tried = _test() 
49    sys.exit(failed) 
50