Files
rdkit/Code/GraphMol/DistGeomHelpers/EmbedderUtils.cpp
Nikitas Rontsis f20b83bc64 Conformer embedding timeout (#8110)
* Conformer embedding timeout

* Add README for patching

* Don't raise Exception but set EmbedFailureCauses on timeout.

* Fix

* Remove wrongly added README

* Debug segfault

* Improve logging of failures

* Fix pointer reference

* Don't use optional
2025-01-13 10:08:25 +01:00

2.4 KiB