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2024-06-14Reduce minimum number of pairs for prediction refinementThomas White
This was previously being used as a kind of check for correctness of the indexing solution. However, the threshold only made sense for large unit cells. It breaks indexing for small cells, which we are increasingly seeing in applications. Now, the threshold is reduced to the theoretical minimum below which the refinement is strictly underdetermined. We (currently!) refine 9 parameters and have three data points per pair (fs,ss,excitation error).
2024-06-14pinkindexer: remove erroneous sys/errno.hPhilipp Middendorf
While compiling CrystFEL using musl, this error message popped up: In file included from ../libcrystfel/src/indexers/pinkindexer.c:36: x86_64-unknown-linux-musl/sys-include/sys/errno.h:1:2: warning: #warning redirecting incorrect #include <sys/errno.h> to <errno.h> [-Wcpp] 1 | #warning redirecting incorrect #include <sys/errno.h> to <errno.h> | ^~~~~~~ So I removed sys/errno.h completely (since I couldn't figure out where it was used in the file anyways), and the result still compiled.
2024-06-14CI: Run build-centos7 and build-brew-macos on master branch onlyThomas White
The Mac runner and Seedee source aren't available elsewhere, so these will always fail for merge requests.
2024-06-14CI: Remove distracting disabled jobsThomas White
2024-06-12Julia: Give (read-only) access to detector geometryThomas White
This is a simple but unsophisticated way of getting the numbers out. There's no way to change the geometry if required.
2024-06-11ASAP::O: Increase nack timeout to 1 minuteThomas White
2024-06-11indexamajig: Don't send acknowledgements unless --asapo-acksThomas White
Prevously, it disabled the resend timeout, but still sent the acknowledgements.
2024-06-06Update tutorial.rstThomas White
2024-06-06tutorial.rst: Update geometry refinement stepThomas White
This was out of date, referring to the old detector-shift which doesn't work any more. Fixes: https://gitlab.desy.de/thomas.white/crystfel/-/issues/97
2024-06-04indexamajig: Add --asapo-acks optionThomas White
2024-05-24Julia: Set max Mille level correctlyThomas White
Previously, there was a missing function argument here.
2024-05-14compare_reindexed_cell_parameters: Small logic fixThomas White
I was trying to be too clever. The old version breaks if the G6 distance is exactly zero, which happens e.g. in one of the unit tests.
2024-05-14data_template_write_to_fh: Fix output of mask filenameThomas White
2024-05-14compare_reindexed_cell_parameters: Don't automatically select identity matrixThomas White
The previous behaviour gave biased cell distributions in some situations, because it preferred not to overrule the indexing algorithm. Some indexing algorithms (xgandalf) always return a certain cell variant, e.g. gamma > 90. To make the histograms interpretable, we have to randomise our choice of reduced cell in all cases. However, we need to be careful that the cells we randomise between are really equivalent. The previous behaviour here was to look only at the axis lengths. We must look at the angles as well. But that's not the end of the story. We would have to choose some weighting factor between axis lengths and angles when deciding if a new cell is "better". That would be hard. Instead, compare_rcp now compares the G6 vectors directly, which consider lengths and angles on an even footing. Fixes: https://gitlab.desy.de/thomas.white/crystfel/-/issues/95
2024-05-13Julia: Add basic wrapper for compare_reindexed_cell_parametersThomas White
2024-05-06data_template_write_to_fh: Don't try to write coffset at top levelThomas White
Previously, there was a bad bug here. We would still try to write a top-level coffset even if panels have moved such that the coffset is no longer a single value. One possibility is to unset panel->cnz_offset_default when moving a panel. This works, but we have to do it on every translation, or accept a floating-point comparison with zero and associated non-determinism. It's very likely that if we move one panel, we'll be moving all panels, even if only by a small amount. So, a more stable way seems to just write separate coffset values all the time. The coffset values aren't really meant to be used at the top level anyway (that's what clen is for!), so this fits pretty well.
2024-05-06indexamajig: Avoid is_hdf5_file("-", ...)Thomas White
With thanks to biochem-fan. Fixes: https://github.com/taw10/crystfel/issues/12
2024-05-02data_template_write_to_fh: Fix bad region outputThomas White
Two problems: 1. Didn't take into account that bad->name already includes the prefix "bad". 2. Didn't convert the panel-relative coordinates back to slab-relative. Fixes: https://github.com/taw10/crystfel/issues/11
2024-05-02tests/geom_roundtrip: Check bad regionsThomas White
2024-04-30indexamajig: Reduce ASAP::O verbosityThomas White
2024-04-29indexamajig: Send ASAP::O acknowledgement only after process_imageThomas White
Otherwise, we end up acknowledging the previous message ID after receiving something like kEndOfStream.
2024-04-29indexamajig: Report ASAP::O message ID for acknowledgementThomas White
Something strange is going on here, need to debug.
2024-04-26Further clarification about ordering of panel group directivesThomas White
See 79bda19687e425818888ce17cc6e2239744ee640
2024-04-26DataTemplate: Add an "all" group if no panel definitions are givenThomas White
Fixes: https://gitlab.desy.de/thomas.white/crystfel/-/issues/96
2024-04-26WhitespaceThomas White
2024-04-26crystfel_geometry(5): Mention that group definitions must come after panelsThomas White
Also mention this when complaining about the geometry file. Fixes: https://github.com/taw10/crystfel/issues/10
2024-04-25indexamajig: Avoid writing empty Mille recordsThomas White
Fixes: https://github.com/taw10/crystfel/issues/9
2024-04-24Julia: Add 'setreflections!' to add a RefList for a Crystal in an imageThomas White
2024-04-24Julia: Avoid making a list of NothingThomas White
The type of the list needs to be correct, otherwise we can't push to it later.
2024-04-24indexamajig: Add ASAP::O acknowledgementsThomas White
2024-04-23align_detector: Add missing argument in warning messageThomas White
Fixes: https://github.com/taw10/crystfel/issues/8
2024-04-22asdf: Force cell to be right-handed after refinementThomas White
In some rare cases, the cell changes from right to left handed during the vector refinement stage of asdf, while ending up at an apparently correct indexing solution. This commit just flips the axis round when necessary, in the same way that asdf already does in an earlier stage. I haven't done a proper survey, but I can say that the image I used to isolate and test this issue had very low resolution while still being what we would call "indexable". The left-handed cells appeared for six out of the 12173 hits in that run, or slightly below 0.05%. So, it's rare but not totally impossible.
2024-04-22asdf: Don't store cell volumeThomas White
It's hardly needed for re-use, and invites problems with the volume going out of sync with the vectors. Better just to calculate it when needed.
2024-04-22Minor documentation tweaksThomas White
2024-04-19GUI: Fix buffer overflow in "delete_gui_tempdir"Philipp Middendorf
2024-04-19CI: Better way of restricting build-centos7 to mainline onlyThomas White
2024-04-19CI: Run build-centos7 only for "main" project (not for e.g. MRs)Thomas White
2024-04-18Merge branch 'julia'Thomas White
2024-04-18Address pipeline performance improvement changes which Tom requested.Parthasarathy Tirumalai
1) Remove MacOS native build job and build-brew-macos the only job for MacOS. 2) Make container builds manual.
2024-04-18Reorder job stages so that maxwell deployment can start as soon as centos7 ↵Parthasarathy Tirumalai
build is done.
2024-04-17CONTRIBUTING.md: Fix DOI linkThomas White
2024-04-17Update Homebrew formula to 0.11.0Thomas White
2024-04-17This is CrystFEL 0.11.00.11.0Thomas White
2024-04-17Add -f option to brew upgrade commands in the MacOS jobs.Parthasarathy Tirumalai
2024-04-17INSTALL.md: Fix link to crystfel.rbThomas White
Needs to be a raw download.
2024-04-17Update crystfel(7)Thomas White
2024-04-17Update INSTALL.mdThomas White
2024-04-17Update README.mdThomas White
2024-04-16Update INSTALL.mdThomas White
2024-04-16Update AUTHORSThomas White