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path: root/libcrystfel/src/mosflm.c
AgeCommit message (Collapse)Author
2018-01-19Clean up indexing method probesThomas White
2017-10-23Check return values from fread/fgetsThomas White
2017-10-18Check that dirax,felix,mosflm or xds are available at the startThomas White
Avoids a confusing error message later.
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.
2017-09-22Mosflm: Recognise P3 as hexagonal P latticeThomas White
2017-09-22If no cell params or lattice type, set nocell/nolatt at top levelThomas White
Another thing that the indexing engines don't need to be repsonsible for.
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.
2017-08-31Set first argument when running external indexing programsThomas White
This makes sure they have names in process displays.
2017-07-06Indexing engine private pointers should be void *Thomas White
2016-09-07Mosflm: Create fake coordinates taking detector z into accountThomas White
2016-07-28Check return values when writing to Mosflm or DirAxThomas White
2016-07-01No more slab-relative coordinates in libcrystfelThomas White
2016-01-30indexamajig: Restore --no-refineThomas White
Adds yet another indexing option...
2016-01-08Make indexing "retry" and "multi" optionalThomas White
2015-09-14Fix space in Mosflm commandThomas White
2015-09-14Revert "Use old MOSFLM indexing command when using -nocell"Thomas White
This reverts commit d75b852f52b244796c0386c4f21cf36ca5bfcf70.
2015-07-20Use old MOSFLM indexing command when using -nocellThomas White
2015-06-25Set MOSFLM default flags to include cell parameters, and add some checksThomas White
2015-06-25Try "mosflm" first, then try "ipmosflm" if it doesn't workThomas White
This allows a smooth transition from CCP4 to standalone version of mosflm, and hence an easy upgrade to newer versions.
2015-06-19Tidy up new MOSFLM codeThomas White
2015-06-19Send prior cell information to MOSFLM.Takanori Nakane
Prior-cell algorithm will be available in the next public relase of MOSFLM. (Old version of MOSFLM simply ignores prior-cell keywords so that this change doesn't do any harm)
2014-12-01Improve MOSFLM feedbackThomas White
2014-11-26Read unique axis from unit cell (.cell) filesThomas White
... and fix the MOSFLM logic again.
2014-11-25Update mosflm logic for axis permutation warning, now that unit cell ↵Thomas White
parameters aren't compulsory
2014-11-21Fix indexing flags check for mosflmThomas White
2014-09-22Beam file removal, part IThomas White
2014-09-19Introduce CrystFEL unit cell filesThomas White
2014-08-19Use Gnulib forkpty()Thomas White
2014-08-18gettimeofday() fixesThomas White
2014-05-08Strip out the "prepare_filename" rubbishThomas White
2013-09-13Monoclinic changes for MOSFLMThomas White
2013-06-02Fix const for MOSFLM space groupThomas White
2013-06-01Fix multiple small memory leaksThomas White
2013-03-01Warn about MOSFLM unit cell settingsThomas White
2013-02-19Add -cell and -nocell to indexing methodsThomas White
2013-02-15"mosflm-nolatt" should not be sending "SYMM P1"Thomas White
2013-02-15Check for lattice type should be done before calling match_cell()Thomas White
2013-02-15Use "CRYSTAL R" to avoid having to uncenter the unit cell from MOSFLMThomas White
2013-02-12Improve handling of indexing methodsThomas White
2013-02-11Add commentThomas White
2013-02-10Read lattice type and centering information back from MOSFLMThomas White
2013-02-10FormattingThomas White
2013-02-09Add cleanup functions for DirAx and MOSFLMThomas White
2013-02-09Complain if a unit cell is needed and not providedThomas White
2013-02-09Use H3 instead of H32 when asking for 'hexagonal H'Thomas White
2013-02-09MOSFLM returns 'hexagonal H' if we ask for 'rhombohedral R'. Growl.Thomas White
2013-02-09Clarify lattice type informationThomas White
2013-02-08Small tweaksThomas White
2013-02-05WIP on bringing programs up to dateThomas White