Greg Landrum
da6cd73168
Run clang-format across everything ( #7849 )
...
* run clang-format-18 across Code/*.cpp and Code/*.h
* run clang-format-18 across External
2024-09-26 13:39:02 +02:00
Brian Kelley
fa0463a591
Adds HasPropWithValue Pickler ( #7692 )
...
* Adds HasPropWithValue Pickler
* Revert changes
* Resolve review comments
* more comprehensive testing
---------
Co-authored-by: Greg Landrum <greg.landrum@gmail.com >
2024-08-26 16:27:58 +02:00
Greg Landrum
1790de84d3
Fixes #7675 ( #7680 )
...
* Fixes #7675
* update expected psql results
these changed because of the version bump to the pickles
2024-08-02 09:24:34 +02:00
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
