Age | Commit message (Collapse) | Author | |
---|---|---|---|
2019-09-23 | Merge branch 'tom/pinkindexer' | Thomas White | |
2019-09-16 | Fix cell comparison logic | Thomas White | |
2019-09-12 | Fix logic | Thomas White | |
2019-09-12 | Force --no-check-peaks and --no-refine if pinkIndexer is used, and add a warning | Thomas White | |
2019-09-12 | Increase indexing timeout when using pinkIndexer | Thomas White | |
2019-09-12 | Add indexing_methods() to examine the actual list of methods | Thomas White | |
2019-09-12 | Remove message directing to old option | Thomas White | |
2019-09-12 | Avoid duplication of beam and detector parameters for pinkIndexer | Thomas White | |
2019-09-12 | Accept --indexing=pinkindexer (lower case) | Thomas White | |
2019-09-12 | Set task name for PinkIndexer | Thomas White | |
2019-09-12 | Whitespace | Thomas White | |
2019-09-12 | Add pinkIndexer interface | Yaroslav Gevorkov | |
2019-09-06 | Use new peak check only when doing multi-lattice indexing | Thomas White | |
2019-09-03 | Fix memory leaks in cell comparison | Thomas White | |
2019-08-29 | Use compare_cell_parameters for after-refinement cell check | Thomas White | |
No need to do all the cell reduction stuff again. | |||
2019-08-29 | indexamajig: Remove --no-cell-combinations | Thomas White | |
Also remove all the related API stuff. We now have a much better way of checking indexing results. | |||
2019-08-22 | Tidy up comparison function definitions | Thomas White | |
Especially, remove the last ltl/atl tolerance values. | |||
2019-08-22 | Framework for new unit cell comparison function | Thomas White | |
2019-08-16 | Clarify cell vs reference in comparison functions. Also reindexed vs permuted | Thomas White | |
2019-08-16 | Use new cell comparison functions for indexing | Thomas White | |
2019-08-16 | indexamajig: Accept six values for unit cell tolerance | Thomas White | |
2019-05-07 | Update all source code comments to Doxygen format | Thomas White | |
2019-03-11 | Change horribly confusing names of unit cell comparison functions | Thomas White | |
cells_are_similar -> compare_cell_parameters_and_orientation compare_cells -> compare_reindexed_cell_parameters_and_orientation cell_tool.c:cells_the_same -> cellutils.c:compare_cell_parameters All comparisons now done in real space, checking that centering is the same, and without uncentering anything. | |||
2019-01-22 | Fix some small memory leaks | Thomas White | |
2018-11-15 | indexamajig: Name and shame slow processing stages | Thomas White | |
2018-11-02 | Change a couple of important asserts to if statements | Thomas White | |
2018-07-11 | reduce minimum angle separation for similarity check of lattices | Yaroslav Gevorkov | |
2018-07-09 | Add number of indexing attempts to stream | Thomas White | |
2018-06-18 | Add interface to XGANDALF indexer | Yaroslav Gevorkov | |
2018-05-25 | Fix incorrect loop in cleanup_indexing | Thomas White | |
2018-04-20 | Restore peak alignment check and unset multi-lattice indexing as default | Thomas White | |
Unfortunately, they seem to be severely reducing data quality. Partially reverts 60c48f3876b0d3c30bf729ce691dbd3f56665c4c | |||
2018-04-20 | Remove TakeTwo from default indexing method probes | Thomas White | |
At least until it can be made faster. | |||
2018-02-27 | Read debug indexing from file | Thomas White | |
2017-11-28 | Fix check for cell parameters at start | Thomas White | |
2017-10-27 | Merge branch 'tom/simpler_felix' | Thomas White | |
2017-10-19 | Add probe for TakeTwo | Thomas White | |
2017-10-18 | indexamajig: Auto-detection of available indexing methods | Thomas White | |
2017-10-17 | Handle old indexing methods | Thomas White | |
There are limits to how well they can be handled, but this avoids screwing users over too much. | |||
2017-10-12 | indexamajig: Simplify Felix options | Thomas White | |
2017-10-09 | indexer_str(): Don't return "none-nolatt-nocell" | Thomas White | |
2017-09-27 | Add an assertion | Thomas White | |
2017-09-27 | Don't reset user flag to zero | Thomas White | |
Some indexing methods may set it to 1 already, in which case we should take the hint. | |||
2017-09-26 | Remove unnecessary counting | Thomas White | |
2017-09-22 | Don't send detector and tolerance to indexing methods | Thomas White | |
The detector isn't used for anything, and the tolerance is none of their business. | |||
2017-09-22 | Fix silly mistake in friendly_indexer_name() | Thomas White | |
2017-09-22 | Set --no-check-cell if cell is given, but has no parameters | Thomas White | |
2017-09-22 | If no cell params or lattice type, set nocell/nolatt at top level | Thomas White | |
Another thing that the indexing engines don't need to be repsonsible for. | |||
2017-09-22 | Stop if an indexing method can't be prepared | Thomas White | |
2017-09-21 | indexamajig: Friendlier display of indexing engines | Thomas White | |
2017-09-15 | Perform peak alignment check if requested | Thomas White | |