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path: root/libcrystfel/src/asdf.c
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2017-10-18Add probe functions to indexing methodsThomas White
2017-09-22Don't send detector and tolerance to indexing methodsThomas White
The detector isn't used for anything, and the tolerance is none of their business.
2017-09-22Remove "latt" from asdfThomas White
For consistency with other algorithms, let's standardise on an interpretation where just using the centering information in combination with the cell parameters, which is always necessary, doesn't qualify as "cell-latt", only "cell-nolatt". "Using lattice type as prior information" implies that asdf would behave differently with cell-nolatt, if it were allowed, than with cell-latt. It wouldn't. It just needs the centering to calculate the cell volume correctly. Note that TakeTwo, by contrast, would behave differently in this hypothetical case, because it uses the lattice type to exclude certain solutions by symmetry. Mosflm allows all four combinations of no/cell and no/latt, and does indeed behave differently between them.
2017-09-22asdf uses prior information for its volume constraint, so add "cell" to the ↵Thomas White
method
2017-09-16Fix return of unit cells from asdf and diraxThomas White
2017-09-15Simplify indexing optionsThomas White
mosflm-cell-nolatt-multi-refine-bad-retry.... it's all getting a bit too much. This commit removes all the options from the indexing methods except for the prior information flags (cell/nocell and latt/nolatt). All the other options are now given at the top level with new indexamajig options, e.g. --no-multi and --no-retry. They are applied to all the methods, with no option to (say) use retry for one method and not for another. This also makes the "peak alignment test" default to OFF, and multi-lattice indexing ON. I think that the prediction refinement does a good enough job of checking the validity of indexing solutions, allowing us to turn off the alignment check which filters out most multi-lattice solutions.
2017-07-06Indexing engine private pointers should be void *Thomas White
2017-03-13Ask for C99 in configure.ac, remove weird C99 declarationsThomas White
2017-02-01asdf.c: Divide volume constraints by number of lattice points per unit cell. ↵Alexandra Tolstikova
Add F centering
2017-02-01asdf.c: Divide volume constraints by number of lattice points per unit cell ↵Alexandra Tolstikova
since asdf always finds primitive cell
2017-02-01Fix malloc fail due to integer overflow in N_tripletsAlexandra Tolstikova
2017-02-01Change volume_min, volume_max and d_max when indexing=asdf-combAlexandra Tolstikova
2017-02-01Change d_max according to the provided cellAlexandra Tolstikova
2016-02-29asdf: Check array bounds before usingThomas White
2016-02-29FormattingThomas White
2016-01-30indexamajig: Restore --no-refineThomas White
Adds yet another indexing option...
2016-01-27asdf: Don't assume that the number of peaks == image_feature_count()Thomas White
Yes, really. Sorry about the crappy API.
2016-01-08Make indexing "retry" and "multi" optionalThomas White
2015-08-14FussinessThomas White
2015-08-14Change generation of triplets so that it doesn't segfault on patterns with ↵Alexandra Tolstikova
big number of reflections
2015-08-14Fix includesThomas White
2015-07-10Temporary fix of infinite loop bug in asdf_reduce_cell()Alexandra Tolstikova
2015-07-03Delete trailing whitespaceThomas White
2015-06-19Compile asdf only if FFTW is availableThomas White
2015-06-18Small tidying up for asdfThomas White
2015-06-18Fix bug in cell refinementAlexandra Tolstikova
2015-06-17Check c->n after cell reductionAlexandra Tolstikova
2015-06-17Fix fft in[N] array subscript calculationAlexandra Tolstikova
2015-06-16Check malloc return valuesAlexandra Tolstikova
2015-04-22Free gsl_vector normal in index_refls()Alexandra Tolstikova
2015-04-20Create fftw_plan and in and out arrays for fft in asdf_prepare(), which also ↵Alexandra Tolstikova
partially solves memory leak problem
2015-03-25Fix malloc and memcpy of asdf_cell.indices (int -> double)Alexandra Tolstikova
2015-02-11Get cell volume range from tolerancesAlexandra Tolstikova
2015-02-11Move cell_get_volume from asdf.c to cell_utils.cAlexandra Tolstikova
2015-02-11Move creation of a cell from tvectors into a separate functionAlexandra Tolstikova
2015-02-11Use one fftw_plan for all fft calculationsAlexandra Tolstikova
2015-02-11asdf.c: codestyle fixedAlexandra Tolstikova
2015-02-11'asdf' indexing method addedAlexandra Tolstikova