| Age | Commit message (Collapse) | Author | |
|---|---|---|---|
| 2021-05-07 | Add has_unique_axis() | Thomas White | |
| 2021-03-05 | Mass update of copyright dates in source code comments | Thomas White | |
| 2021-01-11 | UnitCell: Store all representations once they're calculated | Thomas White | |
| Previously, the "getter" functions would re-calculate the requested representation every time they were called. This could mean doing a matrix inversion in the middle of a tight loop, wasting loads of time. Now, it stores the calculated values and returns them directly next time. Setting the parameters invalidates the values for all representations other than the one given. The cost of doing this is that the cell can no longer be "const" in the getter functions. This tracked through some other code, but nothing too severe. | |||
| 2021-01-06 | partialator: Reject crystals with obviously too large profile radii | Thomas White | |
| The criterion for "too large" is 20% of the 1/d value for the lowest reflection which is not systematically absent according to the centering. A profile radius larger than the 1/d value for a reflection will crash the xsphere partiality model, and some visualisation shows that this is a clearly non-physical situation. The profile radius shouldn't be anywhere near the inter-Bragg spacing for reasonable data. However, feedback shows that this is happening quite often in real data, probably due to bad indexing. | |||
| 2020-07-29 | Remove config.h from libcrystfel headers | Thomas White | |
| Same reason as removing them from tests. Also, libcrystfel might be used in projects which have HAVE_CONFIG_H defined. | |||
| 2020-07-29 | Add cell_print_oneline | Thomas White | |
| 2020-07-29 | Const-cleaning | Thomas White | |
| 2020-01-10 | Mass update of copyright dates | Thomas White | |
| 2019-08-22 | Remove match_cell and match_cell_ab | Thomas White | |
| 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 | Add compare_permuted_cell_parameters | Thomas White | |
| 2019-08-16 | compare_cell_parameters and compare_reindexed_cell_parameters: Accept 6 ↵ | Thomas White | |
| tolerances | |||
| 2019-05-07 | Update all source code comments to Doxygen format | Thomas White | |
| 2019-04-05 | cell_tool: Add --csl | Thomas White | |
| 2019-03-11 | Keep track of the "un-centering" matrix, as well as the "centering" | Thomas White | |
| This makes it easy to reverse the transformation, if required, which it is when comparing centered cells. | |||
| 2019-03-11 | New way of doing cell comparisons, similar to match_cell() | Thomas White | |
| 2019-03-11 | Fix tolerances (again) | Thomas White | |
| 2019-03-11 | Use IntegerMatrix for all unit cell transformations | Thomas White | |
| Get rid of UnitCellTransformation, a thin wrapper which didn't do anything. | |||
| 2019-03-11 | Simplify the output of cell_print() | 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. | |||
| 2019-03-11 | Remove cells_are_similar() from API | Thomas White | |
| There are two functions with this name. Avoid confusion. | |||
| 2019-03-11 | cell_tool: Use libcrystfel cells_are_similar() function | Thomas White | |
| 2017-09-07 | Add compare_cells() (and use it in whirligig) | Thomas White | |
| 2016-10-19 | Add transform_cell_gsl() | Thomas White | |
| 2015-11-27 | indexamajig: Write target unit cell into stream | Thomas White | |
| 2015-02-11 | Move cell_get_volume from asdf.c to cell_utils.c | Alexandra Tolstikova | |
| 2014-09-19 | Introduce CrystFEL unit cell files | Thomas White | |
| 2014-06-13 | Add extern "C" for C++ compatibility | Chuck | |
| 2014-03-03 | Add missing includes | Thomas White | |
| Reported by Rick Kirian | |||
| 2013-04-18 | Read/write lattice type, centering and unique axis information from/to stream | Thomas White | |
| 2013-01-04 | Tidy up documentation | Thomas White | |
| 2012-10-02 | Finishing tweaks for uncentering stuff | Thomas White | |
| Today, I have mostly been having my life made difficult by the PDB's invention of "H centering". | |||
| 2012-10-02 | WIP on cell transformations | Thomas White | |
| 2012-10-02 | Uncenter the cell before using it for indexing stuff | Thomas White | |
| 2012-10-02 | Move unit cell utility stuff to separate module | Thomas White | |
 |
index : CrystFEL | |
| Data processing for serial crystallography | Thomas White |
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