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path: root/libcrystfel/src/cell-utils.c
AgeCommit message (Collapse)Author
2020-05-12Add missing newline in error messageThomas White
2020-05-12Fix silly mistake in cell reductionThomas White
2020-03-13uncenter_cell(): Convert R to PThomas White
Otherwise, the cell comparison doesn't recognise the cells as the same, breaking indexing with an R reference cell. Unfortunately, the resulting cell after comparison by compare_r_c_p still comes out as P, but that doesn't seem like a big loss. To get it strictly correct, we'd need some way of tracking through the information that the cell got "uncentered" from R to P, even though the matrix is an identity.
2020-02-11Fix comment typoThomas White
2020-01-10Mass update of copyright datesThomas White
2019-10-22Add some warnings and assertionsThomas White
2019-10-22reduce_g6: Fix sign criterion for step 3Thomas White
2019-09-12Fix possibly uninitialised CiAMCBThomas White
2019-09-03Fix memory leaks in cell comparisonThomas White
2019-08-29compare_reindexed_cell_parameters: Increase number of possibilities in final ↵Thomas White
permutation check More than 5 possible when there are axes with similar lengths.
2019-08-29Fix commentThomas White
2019-08-28compare_reindexed_cell_parameters: (Sort of) intelligent choice of solutionThomas White
2019-08-28Rationalise matrix mutliplicationThomas White
compare_reindexed_cell_parameters still needs to be updated
2019-08-28Avoid converting IntegerMatrix to RationalMatrixThomas White
2019-08-23Fix Niggli reduction logicThomas White
2019-08-22Remove match_cell and match_cell_abThomas White
2019-08-22Fix matrix multiplicationThomas White
2019-08-22Final implementation of Niggli-based cell comparisonThomas White
2019-08-22Tidy up comparison function definitionsThomas White
Especially, remove the last ltl/atl tolerance values.
2019-08-22Clean up / debugThomas White
2019-08-22Determine cell reduction tolerance automaticallyThomas White
2019-08-22Working Niggli reductionThomas White
2019-08-22Framework for new unit cell comparison functionThomas White
2019-08-22G6 cell reductionThomas White
Doesn't work yet
2019-08-16g6_distance: Take UnitCellThomas White
2019-08-16compare_permuted_cell_parameters{_and_orientation}: Accept wrong-handed cellThomas White
2019-08-16Clarify cell vs reference in comparison functions. Also reindexed vs permutedThomas White
2019-08-16Add compare_permuted_cell_parametersThomas White
2019-08-16compare_cell_parameters and compare_reindexed_cell_parameters: Accept 6 ↵Thomas White
tolerances
2019-08-16cell_print{_full}: Handle NULL cellThomas White
2019-08-16cell_volume: Give answer in m^3, not m^3Thomas White
2019-07-24compare_cell_parameters_and_orientation(): Fix documentation and variable namesThomas White
2019-05-07Update all source code comments to Doxygen formatThomas White
2019-04-05compare_reindexed_cell_parameters: Require lattice to be primitive unless ↵Thomas White
csl set
2019-04-05cell_tool: Add --cslThomas White
2019-04-02compare_reindexed_cell_parameters: Bail out when there are no candidate vectorsThomas White
2019-03-26Fix order of matrix operations in compare_reindexed_cell_parameters()Thomas White
2019-03-13validate_cell: Allow to tell the difference between serious problems and ↵Thomas White
warnings
2019-03-11Change matrix notation to match ITA chapter 5.1Thomas White
2019-03-11Fix typoThomas White
2019-03-11More tidying up of cell comparisonThomas White
2019-03-11Find the best cell match, not just the first oneThomas White
2019-03-11Tidy up cell comparisonThomas White
2019-03-11Keep 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.
2019-03-11New way of doing cell comparisons, similar to match_cell()Thomas White
2019-03-11Fix tolerances (again)Thomas White
2019-03-11Be clear about whether functions need rational or integer transformationsThomas White
2019-03-11Use IntegerMatrix for all unit cell transformationsThomas White
Get rid of UnitCellTransformation, a thin wrapper which didn't do anything.
2019-03-11Simplify the output of cell_print()Thomas White
2019-03-11Change horribly confusing names of unit cell comparison functionsThomas 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.
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