Re: [Cdk-devel] [Fwd: [ cdk-Bugs-1708336 ] UniversalIsomorphismTester fails on simple molecules]

[Dazhi J. <dj...@in...>]

Hi, Kai,

In the UniversalIsomorphismTest, line 690 - 700, there is code checking
for atom matching, after matching the bonds. It seems the IQueryBond
instance is not supposed to be responsible for matching the atoms. 

The if statement in line 696 seems to cause this problem when one of the
atom is "Any".

I also posted this comment on the bug report. 

Thank you,

David

On Thu, 2007-04-26 at 23:14 +0200, Kai Hartmann wrote:
> 
> -------- Original-Nachricht --------
> Betreff: [ cdk-Bugs-1708336 ] UniversalIsomorphismTester fails on simple
> molecules
> Datum: Thu, 26 Apr 2007 14:13:23 -0700
> Von: SourceForge.net <no...@so...>
> An: no...@so...
> 
> Bugs item #1708336, was opened at 2007-04-26 21:36
> Message generated for change (Comment added) made by kaihartmann
> You can respond by visiting:
> https://sourceforge.net/tracker/?func=detail&atid=120024&aid=1708336&group_id=20024
> 
> Please note that this message will contain a full copy of the comment
> thread,
> including the initial issue submission, for this request,
> not just the latest update.
> Category: cdk-standard module
> Group: None
> >Status: Closed
> >Resolution: Invalid
> Priority: 5
> Private: No
> Submitted By: Kai Hartmann (kaihartmann)
> >Assigned to: Kai Hartmann (kaihartmann)
> Summary: UniversalIsomorphismTester fails on simple molecules
> 
> Initial Comment:
> UniversalIsomorphismTester.getSubgraphMappings() is return matching
> bonds for C-?-C matching C-C-N. A junit test has been added.
> 
> ----------------------------------------------------------------------
> 
> >Comment By: Kai Hartmann (kaihartmann)
> Date: 2007-04-26 23:13
> 
> Message:
> Logged In: YES
> user_id=743500
> Originator: YES
> 
> The OrderQueryBond just checks for the correct order of the bonds. It does
> not check whether the connected atoms match. The behaviour is correct.
> 
> ----------------------------------------------------------------------
> 
> You can respond by visiting:
> https://sourceforge.net/tracker/?func=detail&atid=120024&aid=1708336&group_id=20024