leonarski_fandClaude Opus 5.5
aca27be862
New gemmi-only library JFJochRugnuxFiles (writer/), linked by JFJochWriter, so the writer needs no analysis library and builds with JFJOCH_WRITER_ONLY: - WriteMergedMtz / WriteMapCoefficientsMtz / PlacedModelStructure make the files from the structured blocks; WriteRugnuxResultFiles writes whichever blocks END carries beside the master, each under a temporary name and renamed into place, an existing file replaced only when the run's overwrite is set. A file that fails costs only itself (logged), not the run. - FillRugnuxResultBlocks reads the blocks back from the files rugnux wrote at a prefix (p.mtz, p_maps.mtz, p_model.cif), for the broker to fill END. WriteMtzReflections now goes through WriteMergedMtz (MergedReflectionsForWriter builds the block); its output is byte-identical to before, checked by md5 on a synthetic set in both the Friedel-merged and the anomalous layout. StreamWriter writes the files after the master and before the END ACK, so the ACK means they are in place; END receipt and each rename are logged at INFO with the wall-clock time, for last-frame-to-files latency. The broker's direct HDF5 pusher writes them too. Test: rugnux's three files -> blocks -> CBOR -> writer reproduces all of them (and _model.pdb) byte for byte; a ~25k-reflection END is 2.7 MB. Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
Jungfraujoch
Application to receive and analyse data from the PSI JUNGFRAU and EIGER detectors, together with
rugnux, its program for processing stored diffraction data - rotation and serial, macromolecular
and small-molecule - from images to merged reflections.
All documentation is now placed in docs/ subdirectory and for the current version hosted on Jungfraujoch Read The Docs page.