#791 [critical] Hydrogen representation + canon labelling

Accepted
closed
nobody
master
9
2014-08-05
2014-07-28
John May
No

I discovered at the weekend that I broke the canonical labelling of explicit hydrogens during a previous patch. That is - it throws a runtime exception (array out of bounds) for most graphs with explicit hydrogen representations. Quite surprised we didn't have any regressions show up.

The patch is very simple (essentially I forgot to copy an array back) - https://github.com/johnmay/cdk/compare/patch/canon-hyd-fix?expand=1

This could constitute a patch (1.5.7.1) release.

Discussion

  • Egon Willighagen

    • status: open --> closed
    • Group: Needs_Review --> Accepted
     
  • Egon Willighagen

    Looks good. Applied and pushed.

     
  • Egon Willighagen

    PS. I would just release 1.5.8... otherwise you would have to branch, backport this patch, etc, etc...

     

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