Commit Graph

4 Commits

Author SHA1 Message Date
Greg Landrum
b2606f5c20 fix a problem with reading older pickles (#7180) 2024-02-22 14:03:45 +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
59fa87a207 make sure bond attachpt info is pickled (#6698)
* store more bond properties (if present) when pickling

* store the attachpts stuff more efficiently in pickles

* better error reporting in the cartridge

* updated cartridge use cases
2023-09-07 12:21:36 +02:00
Greg Landrum
d4547e2116 Fixes #6312: reduces the size of molecule pickles which include atom and bond properties (#6321)
* backup

* fixes #6312
all tests pass
needs tests for atoms

* more optimization; tests pass

* get rid of the global variables so that the cartridge works with this

sooooooo weird
2023-05-26 04:46:23 +02:00