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AgeCommit message (Collapse)Author
2018-02-27Read debug indexing from fileThomas White
2018-02-27indexamajig: Add --overpredictThomas White
2018-02-27Separate partiality calculation from predictionThomas White
2018-02-27Add const versions of RefList iterationThomas White
2018-02-27More const-cleaningThomas White
2018-02-27const-cleanlinessThomas White
2018-02-08FormattingThomas White
2018-02-08Changed the naming of felix options and variables to make them more obvious.Kenneth R. Beyerlein
2018-02-08Change Felix min-uniqueness paramter name to max-uniqueness.Kenneth R. Beyerlein
2018-02-08Add Felix option felix-max-inter-angleKenneth R. Beyerlein
2018-02-08Make felix-domega optionKenneth R. Beyerlein
2018-01-19xds: Remove debugThomas White
2018-01-19Clean up indexing method probesThomas White
2017-11-28Fix check for cell parameters at startThomas White
2017-11-23Avoid truncation with snprintfThomas White
Just something that came from new compiler warnings after upgrading my system.
2017-11-23Fix wrong assertionThomas White
Whoops.
2017-10-27Merge branch 'tom/simpler_felix'Thomas White
2017-10-23Check return values from fread/fgetsThomas White
2017-10-19Add read_reflections_2() to APIThomas White
New version for reading the symmetry as well
2017-10-19Remove read_reflections_from_file() from APIThomas White
See c0ce8fb4 for the rationale behind this.
2017-10-19Add probe for TakeTwoThomas White
2017-10-18Check that dirax,felix,mosflm or xds are available at the startThomas White
Avoids a confusing error message later.
2017-10-18indexamajig: Auto-detection of available indexing methodsThomas White
2017-10-18Add probe functions to indexing methodsThomas White
2017-10-17Handle old indexing methodsThomas White
There are limits to how well they can be handled, but this avoids screwing users over too much.
2017-10-17felix: Set nsigmas=1Thomas White
2017-10-12indexamajig: Simplify Felix optionsThomas White
2017-10-12Remove write_reflections_to_file() from APIThomas White
It's there because it used to be used to write the reflections into the stream. Therefore there was a need for a function to write a bare list of reflections to a file, with no headers. Since then, the stream and merged reflection file formats have diverged, so there's no use for this other than to confuse people.
2017-10-09indexer_str(): Don't return "none-nolatt-nocell"Thomas White
2017-10-02Formatting fussinessThomas White
2017-09-27remove_flagged_crystals(): Remove multiple bad crystalsThomas White
A silly bug
2017-09-27Add an assertionThomas White
2017-09-27Don't reset user flag to zeroThomas White
Some indexing methods may set it to 1 already, in which case we should take the hint.
2017-09-26Remove unnecessary countingThomas 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.
2017-09-22Fix silly mistake in friendly_indexer_name()Thomas White
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
2017-09-22Set --no-check-cell if cell is given, but has no parametersThomas White
2017-09-22cell_new_from_cell(): Don't try to duplicate non-existent parametersThomas White
2017-09-22Mosflm: Recognise P3 as hexagonal P latticeThomas White
2017-09-22Don't write cell parameters to the stream if we don't have themThomas 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.
2017-09-22Stop if an indexing method can't be preparedThomas White
2017-09-21indexamajig: Friendlier display of indexing enginesThomas White
2017-09-21Improve error message when using CBF files and a multi-event geometryThomas White
2017-09-21Remove old warning for XDS indexingThomas White
2017-09-21Fix crash in XDS indexingThomas White
2017-09-19get_ev_based_value(): Allow integer typesThomas White
Just an oversight in the test
2017-09-16Fix return of unit cells from asdf and diraxThomas White