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3 Commits

Author SHA1 Message Date
Greg Landrum
972b31e239 Add 'k' extension to SMARTS to support ringsize queries (#9172) 
* switch the Query infrastructure to use std::function

* add releasenotes mention

* refactor makeAtomInRingOfSizeQuery() to use lambdas and support range queries

* add 'k' atom query to SMARTS

* changes in response to review
 2026-03-17 15:02:59 +01:00
Greg Landrum
2957ab4576 switch to catch2 v3 (#6898) 
* switch to catch2 v3
Fixes #6894

* fix a couple of problems noticed in the CI builds

* more warning cleanup

* changes in response to review
 2023-11-15 06:45:42 +01:00
Greg Landrum
ac8cb939d8 Fixes #6106 (#6107) 2023-02-19 10:46:07 -05:00