6
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Moderate Activity

Commits : Listings

Analyzed 2 days ago. based on code collected 3 days ago.
Mar 25, 2023 — Mar 25, 2024
Commit Message Contributor Files Modified Lines Added Lines Removed Code Location Date
Merge pull request #1060 from JonasSchaub/ElectronDonation-small-doc-fix More... 7 days ago
small doc fix for cdkAllowingExocyclic() More... 7 days ago
Fix a corner case when depicting cc(C)c More... 13 days ago
Merge pull request #1055 from cdk/update/CITATION.cff More... 17 days ago
Merge branch 'main' into update/CITATION.cff More... 17 days ago
Applied suggested changes More... 17 days ago
Merge pull request #1054 from egonw/update/jna-inchi More... 18 days ago
Create CITATION.cff More... 18 days ago
Updated JNA-InChI (updating the JNA dependency) More... 18 days ago
Add missing import More... 19 days ago
Added the catching and exception of the Intractable exception More... 19 days ago
The number of essential/relevant cycles can be exponential for some molecules - e.g. cyclo-phanes. More... 19 days ago
SonarCloud complains if the capturing groups are removed (Group parts of the regex together). More... 22 days ago
Fix test value More... 22 days ago
Address some SonarCloud issues More... 22 days ago
Tests are all now enabled. More... 22 days ago
Reinstate test which is fine but not perfect. More... 22 days ago
Warning message changed More... 22 days ago
Fix an error mesg in the AtomContainer implementation More... 22 days ago
Actually deprecate. More... 23 days ago
Deprecate the method that took in the GraphUtil/EdgeMap cache More... 23 days ago
Some unit tests for the marking of ring/atoms bonds. More... 23 days ago
More efficient determination of ring flags/count. More... 23 days ago
New tests for flags More... 24 days ago
Move the CDKConstants flags to IChemObject. More... 24 days ago
Move the more useful flags to IChemObject we will deprecate and move the others. More... 24 days ago
Improved the ChemObject flags API. We can now directly clear/set a flag without having a branch (if/else). Likewise due to padding a 16-bit integer does not take less space than 32-bit in this case and the 32-bit int is cleaner to work with. More... 24 days ago
Better error message for the most common reason this happens. More... 25 days ago
Fix issues with reference/identity checking. More... 25 days ago
Fix regressions due to bonds being added before atoms More... 25 days ago