3 Commits

Include renames

Author	SHA1	Message	Date
Geoff Hutchison	8778b36b79	Fix OOM / crash with hypervalent, high permutation molecules ... Fix #2107 - adds these as regression tests Cap the next_permutation loop at 9! = 362,880 iterations On overflow, mark timeout.expired = true Signed-off-by: Geoff Hutchison <geoff.hutchison@gmail.com>	2026-05-20 15:17:28 -04:00
Geoff Hutchison	0ee83679d1	Add a new test inspired by 2803 ... Make sure all SMILES are also tested for stereoisomers - check there are nonzero coords - make sure stereo round-trips Signed-off-by: Geoff Hutchison <geoff.hutchison@gmail.com>	2026-05-18 19:08:26 -04:00
Geoff Hutchison	9b4dd4150b	Initial work towards fixing "hard" SMILES 3D generation (#2911) ... * Initial work towards fixing "hard" SMILES 3D generation * Check for unspecified stereo in gen3d Should ensure we don't "fail" with unspecified input --------- Signed-off-by: Geoff Hutchison <geoff.hutchison@gmail.com>	2026-05-14 23:12:14 -04:00