From bf99cad8134140ebbffbdd57a22288f0030e9e47 Mon Sep 17 00:00:00 2001 From: "Alan B. Christie" <29806285+alanbchristie@users.noreply.github.com> Date: Fri, 16 Aug 2024 10:45:32 +0100 Subject: [PATCH] Align 1247 with staging (#633) * fix: updated crystalform site tag generation scheme * fix: update tag generation scheme * fix: remove version field from ComputedMolecule Field was added in error, explicit version tracking is not necessary * fix: forgot to stage migration file.. * fix: fix querysets in target_loader.py Came up with pose generation - SiteObservation querysets were called over the entire table not by the target they should have been associated with. * fix: add warning to logs about overwriting ComputedMolecule metadata * fix: add additional ccp4 files to download (issue 1448) * fix: updates to tag generation Changed how some of the tags are generated as per the comment here: https://github.com/m2ms/fragalysis-frontend/issues/1482#issuecomment-2248079966 * feat: added centroid_res field to CanonSite model Also, removed fetching centroid_res from CANON_SITES_FILE. Seems that now it's being added to meta_aligner.yaml, so reading an additional file is not necessary. I hope... * feat: added new fields to metadata.csv Experiment code and centroid res * feat: added tag aliases to metadata.csv * Copies Target proposals to new (RHS) Compounds (#629) * fix: Branch for project reference fix * fix: Projects copied from Target (during RHS cset-upload) * fix: Add save before copying projects * fix: Remove unnecessary save() * ci: Attempt to fix docker-compose problem * ci: Fix staging and production builds (docker compose) --------- Co-authored-by: Alan Christie * fix: Fix typo accessing Target projects (#632) --------- Co-authored-by: Kalev Takkis Co-authored-by: Alan Christie