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#689 0.... errors

Needs_Review
closed
nobody
None
master
1
2013-10-22
2013-10-04
John May
No

A few test patches, some removals and ignores. Justification in comments but can also discuss. Also added a hotfix for Nina's fingerprint timeout - faster fingerprints soon but it meant we could get down to 0 errors on the suite tests at least.

https://github.com/johnmay/cdk/compare/hotfix;more-master-fixup

Related

Patches: #689

Discussion

  • John May
    John May
    2013-10-05

    Asad confirmed last night, the uit fail is likely the edge matching again. Once the edges are matched it doesn't care which way round the matches are which normally isn't an issue but it is when you have 'any' atom. Smsd based smarts matcher correctly shows this won't match. Motivates me to redo the new smsd patch.

    Sent from my iPhone

    On 4 Oct 2013, at 23:24, "John May" jwmay@users.sf.net wrote:

    [patches:#689] 0.... errors

    Status: open
    Created: Fri Oct 04, 2013 10:24 PM UTC by John May
    Last Updated: Fri Oct 04, 2013 10:24 PM UTC
    Owner: nobody

    A few test patches, some removals and ignores. Justification in comments but can also discuss. Also added a hotfix for Nina's fingerprint timeout - faster fingerprints soon but it meant we could get down to 0 errors on the suite tests at least.

    https://github.com/johnmay/cdk/compare/hotfix;more-master-fixup

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    Related

    Patches: #689

  • OK, two patches left that need a resolution... one seems a good patch, but I cannot confirm the conclusion yet...

     
  • John May
    John May
    2013-10-07

    Which two are left..
    - the C**C ignore
    - and?

    On 7 Oct 2013, at 13:04, Egon Willighagen egonw@users.sf.net wrote:

    OK, two patches left that need a resolution... one seems a good patch, but I cannot confirm the conclusion yet...

    [patches:#689] 0.... errors

    Status: open
    Created: Fri Oct 04, 2013 10:24 PM UTC by John May
    Last Updated: Fri Oct 04, 2013 10:24 PM UTC
    Owner: nobody

    A few test patches, some removals and ignores. Justification in comments but can also discuss. Also added a hotfix for Nina's fingerprint timeout - faster fingerprints soon but it meant we could get down to 0 errors on the suite tests at least.

    https://github.com/johnmay/cdk/compare/hotfix;more-master-fixup

    Sent from sourceforge.net because cdk-patches@lists.sourceforge.net is subscribed to https://sourceforge.net/p/cdk/patches/

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    Related

    Patches: #689

    • And that ridiculously large SMILES molecules...

       
  • John May
    John May
    2013-10-22

    • status: open --> closed
     
  • John May
    John May
    2013-10-22

    Closing - it was only the SCCS matching C**C and I don't know how to fix that.