CrystFEL - Data processing for serial crystallography

Age	Commit message (Collapse)	Author
2017-10-18	Add probe functions to indexing methods	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	Remove "latt" from asdf	Thomas 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.
2017-09-22	asdf uses prior information for its volume constraint, so add "cell" to the ↵	Thomas White
	method
2017-09-16	Fix return of unit cells from asdf and dirax	Thomas White

2017-09-15	Simplify indexing options	Thomas 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.
2017-07-06	Indexing engine private pointers should be void *	Thomas White

2017-03-13	Ask for C99 in configure.ac, remove weird C99 declarations	Thomas White

2017-02-01	asdf.c: Divide volume constraints by number of lattice points per unit cell. ↵	Alexandra Tolstikova
	Add F centering
2017-02-01	asdf.c: Divide volume constraints by number of lattice points per unit cell ↵	Alexandra Tolstikova
	since asdf always finds primitive cell
2017-02-01	Fix malloc fail due to integer overflow in N_triplets	Alexandra Tolstikova

2017-02-01	Change volume_min, volume_max and d_max when indexing=asdf-comb	Alexandra Tolstikova

2017-02-01	Change d_max according to the provided cell	Alexandra Tolstikova

2016-02-29	asdf: Check array bounds before using	Thomas White

2016-02-29	Formatting	Thomas White

2016-01-30	indexamajig: Restore --no-refine	Thomas White
	Adds yet another indexing option...
2016-01-27	asdf: Don't assume that the number of peaks == image_feature_count()	Thomas White
	Yes, really. Sorry about the crappy API.
2016-01-08	Make indexing "retry" and "multi" optional	Thomas White

2015-08-14	Fussiness	Thomas White

2015-08-14	Change generation of triplets so that it doesn't segfault on patterns with ↵	Alexandra Tolstikova
	big number of reflections
2015-08-14	Fix includes	Thomas White

2015-07-10	Temporary fix of infinite loop bug in asdf_reduce_cell()	Alexandra Tolstikova

2015-07-03	Delete trailing whitespace	Thomas White

2015-06-19	Compile asdf only if FFTW is available	Thomas White

2015-06-18	Small tidying up for asdf	Thomas White

2015-06-18	Fix bug in cell refinement	Alexandra Tolstikova

2015-06-17	Check c->n after cell reduction	Alexandra Tolstikova

2015-06-17	Fix fft in[N] array subscript calculation	Alexandra Tolstikova

2015-06-16	Check malloc return values	Alexandra Tolstikova

2015-04-22	Free gsl_vector normal in index_refls()	Alexandra Tolstikova

2015-04-20	Create fftw_plan and in and out arrays for fft in asdf_prepare(), which also ↵	Alexandra Tolstikova
	partially solves memory leak problem
2015-03-25	Fix malloc and memcpy of asdf_cell.indices (int -> double)	Alexandra Tolstikova

2015-02-11	Get cell volume range from tolerances	Alexandra Tolstikova

2015-02-11	Move cell_get_volume from asdf.c to cell_utils.c	Alexandra Tolstikova

2015-02-11	Move creation of a cell from tvectors into a separate function	Alexandra Tolstikova

2015-02-11	Use one fftw_plan for all fft calculations	Alexandra Tolstikova

2015-02-11	asdf.c: codestyle fixed	Alexandra Tolstikova

2015-02-11	'asdf' indexing method added	Alexandra Tolstikova