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path: root/libcrystfel/src/taketwo.c
AgeCommit message (Collapse)Author
2019-05-07Update all source code comments to Doxygen formatThomas White
2019-03-12TakeTwo: Restore correct matrix multiplication for solutionThomas White
2019-03-11TakeTwo: take change in IntegerMatrix notation into accountThomas White
2019-03-11Remove commented codeThomas White
2019-03-11Get 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.
2019-03-11Use IntegerMatrix for all unit cell transformationsThomas White
Get rid of UnitCellTransformation, a thin wrapper which didn't do anything.
2019-01-22TakeTwo: fix various memory leaksThomas White
2018-05-02Track solution network membership and scores for diagnosticsHelen Ginn
2018-05-02Correctly return the best matrix, not the last oneHelen Ginn
2018-05-02Limit distances of seeds only if cell seed count is quite highHelen Ginn
2018-05-02Plug leaks.Helen Ginn
2018-05-02Plug leaksHelen Ginn
2018-05-02Generate theoretical vectors only once instead of every time the indexing is runHelen Ginn
2018-05-02white spaceHelen Ginn
2018-05-02Fussiness.Helen Ginn
2018-05-02Deal with membership number higher up, and add a minimum threshold (of 5)Helen Ginn
2018-05-02Mass movement of functions to higher upHelen Ginn
2018-05-02Remove commented codeHelen Ginn
2018-05-02Fussiness.Helen Ginn
2018-05-02Remove unnecessary checks which have been superseded by in_networkHelen Ginn
2018-05-02Change angle step sizeHelen Ginn
2018-05-02Various comments throughout codeHelen Ginn
2018-05-02Now we refine an indexing solution to match all the observed vectors to the ↵Helen Ginn
nearest calculated vector before returning solution
2018-05-02Give up if seed count already highHelen Ginn
2018-05-02Fix a for loopHelen Ginn
2018-05-02Change score for seedHelen Ginn
2018-05-02decompose rotation matrix into angle and axisHelen Ginn
2018-05-02rvec add rvec functionHelen Ginn
2018-05-02Taketwo private structure takes care of duplicate solutionsHelen Ginn
2018-05-02Fix typoHelen Ginn
2018-05-02Different limitations for making new seedsHelen Ginn
2018-05-02Return success even if rotation is not from full network membershipHelen Ginn
2018-05-02Documentation is wrong noticeHelen Ginn
2018-05-02Remove some shouty messagesHelen Ginn
2018-05-02Reset default reciprocal distance to 0.15*1e10 m-1Helen Ginn
2018-05-02Search through entire vector array each timeHelen Ginn
2018-05-02Now all seeds are found first, before sorting by scoreHelen Ginn
2018-05-02Change default distance to 0.12-something units for nowHelen Ginn
2018-05-02Declare integer outside for loopHelen Ginn
2018-05-02Weed duplicates of seeds with new struct Seed.Helen Ginn
2018-05-02Temporary debug outputHelen Ginn
2018-05-02Create a new Seed struct instead of passing around tiny little things to ↵Helen Ginn
various functions
2018-05-02Beginning of support for ignoring previous solutionsHelen Ginn
2018-05-02Theoretical vectors have their own structure including whether they are in ↵Helen Ginn
the asymmetric unit
2018-05-02Fiddling with comments in textHelen Ginn
2017-10-19Add probe for TakeTwoThomas 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.
2017-09-15Simplify 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.
2017-07-24Make struct taketwo_options constThomas White
2017-07-24Ensure TakeTwo arrays get freedThomas White