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Analyzed about 2 hours ago. based on code collected 1 day ago.

Commit Message	Contributor	Files Modified	Lines Added	Lines Removed	Code Location	Date
May 27, 2023 — May 27, 2024 Showing page 6 of 600 Search / Filter on:
Fix - avoid placing a wedge on the right-angled bond when a centre is D3 and two neighbours are co-linear.	John Mayfield	More...				9 months ago
Quality of life API interfaces. The IAtomContainerSet and IReaction can provide an iterator over their IAtomContainer's.	John Mayfield	More...				9 months ago
Improved the abbreviation handling over atom sets, this is useful for reactions where we don't want to abbreviate across a bond which is broken/made. The semantics are a little hard to follow but essentially we either reject the sgroup out right, or tentatively accept it (may be fixable). As in the test case, to allow -Ac and NOT -OAc we reject out right and don't mark the atoms as visited.	John Mayfield	More...				9 months ago
CDK 2.10-SNAPSHOT	John Mayfield	More...				9 months ago
Update jena-arq, also fixes the Jackson issue. We should also be targeting Java 1.8 in the bundle no 1.6.	John Mayfield	More...				9 months ago
New JavaDoc stylesheet - update without our custom CDK bits.	John Mayfield	More...				9 months ago
Fix MayGen test which hard coded exact coordinates, these now changed.	John Mayfield	More...				9 months ago
Merge pull request #995 from cdk/depiction-orientation-fix	John Mayfield	More...				9 months ago
Small tweak to depiction orientation on small molecules, if all the bonds are aligned (aligned == bonds.size()) this is a better selection even if the value is small.	John Mayfield	More...				9 months ago
Suppress bundle plugin about 'pom' projects.	John Mayfield	More...				9 months ago
Add a failing test to remind us to fix something.	John Mayfield	More...				9 months ago
Add in the charge test	John Mayfield	More...				9 months ago
When we optimize our op-codes (replace-atom) we need to remap the atom numbers in other op-codes.	John Mayfield	More...				10 months ago
CDK 2.9	John Mayfield	More...				10 months ago
Final 3 "bugs" from sonarcloud	John Mayfield	More...				10 months ago
Merge pull request #993 from cdk/sonarcloud-bug-cleanup	John Mayfield	More...				10 months ago
Just avoid the division and use a constant.	John Mayfield	More...				10 months ago
More redundant test annotations	John Mayfield	More...				10 months ago
Other occurrences of (possible?) divide by 0.	John Mayfield	More...				10 months ago
Fix possible divide by 0?	John Mayfield	More...				10 months ago
These are not tests - there are no assertions. SonarCloud recommended @Nested but the correct fix is to remove the @Test	John Mayfield	More...				10 months ago
Update README.md	John Mayfield	More...				10 months ago
Merge pull request #992 from cdk/abbreviations-rebased	John Mayfield	More...				10 months ago
Blocking stereochemistry atoms, should happen after we have done the complete fragment lookup	John Mayfield	More...				10 months ago
Another minor tweak, -COEt is better than -CEtO	John Mayfield	More...				10 months ago
Better evasion of ambiguity with cases like NiPr being N iPr or Ni Pr.	John Mayfield	More...				10 months ago
Do not allow contraction across stereochemistry central atom/bonds.	John Mayfield	More...				10 months ago
Instead of a set, using a mapping to indicate what things should be grouped or not.	John Mayfield	More...				10 months ago
Add the option to keep atoms together, for now this simply blocks any abbreviations on those atoms. This is useful for highlighting.	John Mayfield	More...				10 months ago
Minor optimisation, only substitutes with more than one atoms should be considered.	John Mayfield	More...				10 months ago

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