Jiao, Dazhi wrote:
Sorry for not replying to this any sooner. It's the end of the semester
so I am buried in class projects.

It turns out to be an easy fix fortunately. The nullpointer is not
thrown anymore. and the matches are same with daylight depict.

  
Great, thank you!

Nina
David

Guha, Rajarshi wrote:
  
On Nov 27, 2007, at 2:40 PM, Rajarshi Guha wrote:

  
    
On Nov 27, 2007, at 2:19 PM, Rajarshi Guha wrote:

    
      
The NullPointerException actually is within
UniversalIsomorphismTester, which is supposed to be an old and
working code. I am not sure if  LogicalOperatorBond is supposed to
have nonnull atoms, or it is
UniversalIsomorphismTester.nodeConstructor that has to verify if
atoms of a bond are non null. Any ideas?
        
          
I'm not sure about this - Dazhi could verify wrt LogicalOperatorBond
      
        
The UIT when comparing bonds seems to do an additional check after
the matches() method by comparing the atoms of the bond. Why would it
need to do this - since the checking should be done in the matches()
method of the IQueryBond implementation.

Removing the check on atom ordering, I see that the UIT unit tests do
not fail and the 3 SMARTS errrors do not crash (though 2 of them give
wrong results)
    
      
Also, if I remove the atom ordering check the following C=,#C gives
the correct number of matches for C=CCC#C (4 non-USA and 2 USA). With
the atom ordering check the SMARTS matching fails

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Rajarshi Guha  <rguha@indiana.edu>
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