leonarski_fandClaude Opus 5
47bc15c62c
A rejected rigid-body placement put the atoms back and then recomputed the full Fcalc and solvent mask at the restored positions. Nothing reads them: the real model's ModelState is only fitted again after its own compute_model_factors (the re-placement on the merged indexing, the null-failure fallback), and a null replicate's state is discarded. The atoms are still put back; the structure factors are left as they are. Where the lattice has twin laws, the indexing probe fits the identity labelling first, and place_and_fit then made the identical fit again - same ModelState (nothing moves the model between the two), same reflections. The probe now hands that Fit over, for the real model when the identity wins and always for a null replicate (placed against the merged indexing). fit_model is deterministic, so the reused Fit is the one the second call produced. Bit-identical by construction: no value that is read changes. To check: MODEL_* keys and md5 of maps/.mtz/_model.cif identical with and without this commit on the audit set, including sets with twin laws and a null. Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_013nW6FNRP1bBJJ8pfHiByAT
Jungfraujoch
Application to receive data from the PSI JUNGFRAU and EIGER detectors.
All documentation is now placed in docs/ subdirectory and for the current version hosted on Jungfraujoch Read The Docs page.