#689 0.... errors

[John May]

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

[John May]

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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[Egon Willighagen]

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

[John May]

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

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To unsubscribe from further messages, a project admin can change settings at https://sourceforge.net/p/cdk/admin/patches/options. Or, if this is a mailing list, you can unsubscribe from the mailing list.

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Explore tips for MPI, OpenMP, advanced profiling, and more. Get the most from
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[Egon Willighagen]

And that ridiculously large SMILES molecules...

[John May]

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