Age | Commit message (Collapse) | Author | |
---|---|---|---|
2019-03-11 | TakeTwo: take change in IntegerMatrix notation into account | Thomas White | |
2019-03-11 | Remove commented code | Thomas White | |
2019-03-11 | Get rid of cell_transform_gsl_reciprocal() | Thomas White | |
It's confusing to have matrices acting on both real and reciprocal vectors. Let's standardise instead on transformations always applying to real-space cells. It was only used in one place. | |||
2019-03-11 | Change matrix notation to match ITA chapter 5.1 | Thomas White | |
2019-03-11 | tests/transformation_check: Tidy up and be louder | Thomas White | |
2019-03-11 | cell_tool: Improve messages | Thomas White | |
2019-03-11 | Add a comment | Thomas White | |
2019-03-11 | Single point of truth for matrix memory layout | Thomas White | |
2019-03-11 | Fix typo | Thomas White | |
2019-03-11 | cell_tool: Add documentation for --transform | Thomas White | |
2019-03-11 | Add remaining centering types and finalise centering determination | Thomas White | |
2019-03-11 | Automatic centering determination after transformation | Thomas White | |
2019-03-11 | cell_tool: Implement --cell-choices | Thomas White | |
2019-03-11 | cell_tool: Add --transform | Thomas White | |
2019-03-11 | Initial centering determination | Thomas White | |
2019-03-11 | More tidying up of cell comparison | Thomas White | |
2019-03-11 | Find the best cell match, not just the first one | Thomas White | |
2019-03-11 | Tidy up cell comparison | 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 | Add rtnl_mtx_identity() | Thomas White | |
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 | Consider fractional cell lengths during comparison | Thomas White | |
This is WAY too slow. Need another algorithm. | |||
2019-03-11 | cell_tool --find-ambi: Work without -y | Thomas White | |
It's not super-helpful, but the manual say it works, so... | |||
2019-03-11 | Better handling of multiple symop error | Thomas White | |
2019-03-11 | Implement parse_symmetry_operations | Thomas White | |
2019-03-11 | Be clear about whether functions need rational or integer transformations | Thomas White | |
2019-03-11 | Add rtnl_mtx_det() and rtnl_mtx_mult() | Thomas White | |
2019-03-11 | Symmetry operation parser using Flex/Bison | Thomas White | |
2019-03-11 | Add new rational number library | 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 | get_hkl --reindex: Check that the user provides only one reindexing operation | Thomas White | |
2019-03-11 | Simplify the output of cell_print() | Thomas White | |
2019-03-11 | cell_tool --rings: Add --highres | Thomas White | |
2019-03-11 | cell_tool: Fix length tolerance units | 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 | cell_tool: Don't uncenter cells before comparison | Thomas White | |
2019-03-11 | cell_tool: Check --tolerance has the right number of commas | Thomas White | |
2019-03-11 | Don't use within_tolerance for angles | Thomas White | |
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: Add --compare (doesn't seem to work yet for some reason) | Thomas White | |
2019-03-11 | Fix tolerances | Thomas White | |
2019-03-11 | cell_tool: Improve option processing | Thomas White | |
2019-03-11 | Show the actual number of orders | Thomas White | |
2019-03-11 | cell_tool: Use libcrystfel cells_are_similar() function | Thomas White | |
2019-03-11 | cell_tool: Add --rings | Thomas White | |
2019-03-11 | cell_tool --uncenter: Write unit cell to file | Thomas White | |
2019-03-11 | cell_tool: Add --uncenter | Thomas White | |
2019-03-11 | Initial cell_tool (implementing find_ambi only) | Thomas White | |
2019-03-07 | indexamajig: Status message improvements | Thomas White | |
1. Show the number of hits 2. Keep producing updates while the last patterns are being processed 3. Don't duplicate the code for displaying the status messages |