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Analyzed 1 day ago. based on code collected 1 day ago.

Commit Message	Contributor	Files Modified	Lines Added	Lines Removed	Code Location	Date
May 14, 2023 — May 14, 2024 Showing page 5 of 600 Search / Filter on:
Cleaner if condition for PEDANTIC erorr checking	John Mayfield	More...				9 months ago
Tweaks to our valence checking, store the "old" bond order in the BondOrder op-code.	John Mayfield	More...				9 months ago
Add in SMIRKS options, currently just a PEDANTIC mode which does additional checks. The valence checking is a WIP but the basics are there.	John Mayfield	More...				9 months ago
This temporary field should be private.	John Mayfield	More...				9 months ago
Improved (but complicated) stereochemistry handling, there is likely a better abstraction to keep things more sane.	John Mayfield	More...				9 months ago
If we can't work out the bond order, make a guess (if possible). In strict/pedantic mode this will warn/fail.	John Mayfield	More...				9 months ago
Make sure bond position arrays grow correctly. Use ORDER=1 for UP/DOWN stereobonds, this makes it possible for SMIRKS to avoid the warning. Some tweaks are needed to SMARTS writing.	John Mayfield	More...				9 months ago
Track atom/bond indexes from input SMARTS allowing better warning/error messages.	John Mayfield	More...				9 months ago
Merge pull request #1004 from egonw/update/deps/cmlxom	John Mayfield	More...				9 months ago
CMLXOM 4.6	Egon Willighagen	More...				9 months ago
Distinction between total vs implicit hydrogen count, fix default valences for new atoms.	John Mayfield	More...				9 months ago
Additional unit tests	John Mayfield	More...				9 months ago
Some extra test coverage.	John Mayfield	More...				9 months ago
Lazy transforms and the ability to limit the number of matches.	John Mayfield	More...				9 months ago
Make the Unique/All application of transforms lazy with an iterator.	John Mayfield	More...				9 months ago
Only call resyncStereo() once (after all ops have been applied) and make sure reactive centre gets marked correctly. These two tests are nice tests which should keep stereo but currently don't.	John Mayfield	More...				9 months ago
Merge pull request #1001 from cdk/jacoco-sonar-path	John Mayfield	More...				9 months ago
Sonar settings for aggregated test coverage.	John Mayfield	More...				9 months ago
Merge pull request #1000 from cdk/jacoco-sonar-path	John Mayfield	More...				9 months ago
SonarCloud is not reporting test coverage correctly because it was not looking at the aggregate report.	John Mayfield	More...				9 months ago
SonarCloud - damn'd if you do damn'd if you don't	John Mayfield	More...				9 months ago
Improve op-code test coverage, normally the delete atom/bond gets optimized so we need specific cases to test those op-codes.	John Mayfield	More...				9 months ago
Cleanup recommended by SonarCloud.	John Mayfield	More...				9 months ago
Various code cleanup	John Mayfield	More...				9 months ago
New op: PromoteH to handle the case where we need to possible move and create an explicit H in the product.	John Mayfield	More...				9 months ago
Another iffy aromatic pattern.	John Mayfield	More...				9 months ago
Correct these two aromatic SMIKRS patterns, we may want to keep the originals for compatibility mode testing.	John Mayfield	More...				9 months ago
Unused import	John Mayfield	More...				9 months ago
Better template orrientation.	John Mayfield	More...				9 months ago
Update this template to avoid ambiguous stereo assignment.	John Mayfield	More...				9 months ago

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