[Cdk-devel] [ cdk-Bugs-1001462 ] New SSSR API not equivalent with old algorithm

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Bugs item #1001462, was opened at 2004-08-01 13:54
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Category: org.openscience.cdk.ringsearch
Group: None
Status: Open
Resolution: None
Priority: 9
Submitted By: Egon Willighagen (egonw)
Assigned to: Ulrich Bauer (zzzgggrrr)
Summary: New SSSR API not equivalent with old algorithm

Initial Comment:
The new SSSR finder algorithm's API is not fully compatible with 
the old SSSRFinder. It might have been better to not reuse the 
class name for the new algorithm, but put the new algorithm in a 
new class, while keeping the previous SSSR finder algorithm in 
the SSSRFinder class. 
 
It broke the StructureDiagramGenerator (try a repeated relayout 
in JChemPaint with the new SSSR code). I had to change this 
class to use the FiguerasSSSRFinder, which used to be the 
SSSRFinder. 
 
BTW, I don't think the new SSSR is buggy... only that users of 
the SSSR class might experience problems with the new 
implementation because there are differences in the resulting 
RingSet. (We'll probably need to further discuss this on the 
mailing list). 

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