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path: root/libcrystfel/src/reflist.c
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2022-09-02RefList: assert that a Reflection can only be on one listThomas White
2021-10-22reflection_new: Check indices are not too largeThomas White
Previously, the combination of reflection_new and add_refl_to_list gave a way to side-step the usual check that the indices were not larger than 512. This causes corruption of the RefList, so much be avoided.
2021-04-27Rename libcrystfel's config.h to libcrystfel-config.hThomas White
This removes the big potential for confusion, which has happened several times (see e.g. 095cbebaf6). It also fixes in-tree builds with CMake (but seriously, always use out-of-tree builds). Fixes #2.
2021-03-05Mass update of copyright dates in source code commentsThomas White
2021-01-27partialator/reflist: Propagate calloc NULL returnThomas White
This prevents an out-of-memory situation (due to ulimit) from manifesting as a segfault.
2021-01-05Remove unused structure memberThomas White
2020-07-30Add missing config.h includesThomas White
2020-07-30Eliminate duplicate symbolsThomas White
This makes searching easier, and also permits Meson's unity build mode.
2020-07-29Convert prediction and integration to detgeomThomas White
2020-01-10Mass update of copyright datesThomas White
2019-05-07Update all source code comments to Doxygen formatThomas White
2019-01-28partialator: Fix multiple memory leaksThomas White
2018-08-30Formatting fussinessThomas White
2018-08-30RefList: add contribution listThomas White
2018-02-27Record khalf for reflectionsThomas White
2018-02-27New partiality model from Ginn et al.Thomas White
2018-02-27Add const versions of RefList iterationThomas White
2017-10-12Remove write_reflections_to_file() from APIThomas White
It's there because it used to be used to write the reflections into the stream. Therefore there was a need for a function to write a bare list of reflections to a file, with no headers. Since then, the stream and merged reflection file formats have diverged, so there's no use for this other than to confuse people.
2016-08-16Add notes to RefListThomas White
2015-07-21Update API docsThomas White
2015-05-19Add {get,set}_flag()Thomas White
2015-04-20Make panel assignments invariant during prediction- and post-refinementThomas White
Reflections appearing and disappearing are problematic when trying to do a least-squares refinement. Therefore, assume that reflections stay on panel and keep them under consideration even if their partialities go to zero (i.e. they drift off Bragg). This should stabilise both refinements, and simplifies quite a lot of code. Collateral "damage": the old "select_intersection()" is now gone.
2014-09-30Cell vector gradients for SCSphere, plus general rationalisationThomas White
2014-05-23Remove {get,set}_{scalable,refinable}()Thomas White
2014-03-30check_hkl: Add L-testThomas White
2014-03-03Update docsThomas White
2014-03-03Include background and peak height in streamThomas White
2013-11-29RefList: Increase maximum index to 511Thomas White
2013-07-24Iteration over reflection list should include other reflections with same ↵Thomas White
asymmetric indices This fixes a >2 year old bug in the reflection list, and a bug in tests/list_check.c which allowed it to go undetected for so long. The main situation where it would have caused problems is when asymmetric_indices() was called on a reflection list containing symmetrically equivalent reflections. The only core CrystFEL program which does this is partialator. compare_hkl uses asymmetric_indices(), but the reflections are already guaranteed to be asymmetric by that point (because check_list_symmetry() has been called).
2013-04-17Add Lorentz factorThomas White
2012-06-21More fussinessThomas White
2012-03-13Fix strange behaviour of add_refl_to_list()Thomas White
2012-03-12Update copyright notices to show actual contribution yearsThomas White
2012-03-09Update licence notices in line with recommendations from TTThomas White
2012-03-06Rename old array functions to get them out of the way of API consistencyThomas White
2012-02-22GPLv3 boilerplate commentsThomas White
2012-02-22Introduce "libcrystfel"Thomas White