SimStore: Fix issue with internalized snapshot box vectors #1086
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This fixes a bug when using
engines.features.box_vectors
in SimStore. Previously, these were not saved.As far as I can tell, this bug only occurs if you are using the internalized Gromacs snapshots, introduced in #933, and storing them with the new SimStore storage system. (However, it could be an issue for engines that aren't included in core OPS.) The OpenMM engine uses a box vectors feature in
engines.features.statics
and the Gromacs engine uses a box vectors feature inengines.external_snapshots.features.box_vectors
, so neither of these are affected. I only found this bug when I was going to suggest using SimStore + internalized snapshots as part of a user question that came up today. It seems that I overlooked this feature when adding SimStore storage support.New tests fail without the (simple) fix in the feature file and pass with the fix.