Age | Commit message (Collapse) | Author | |
---|---|---|---|
2018-03-13 | Nicer way of getting Git revision | Thomas White | |
This will need a separate way to create the official releases (which shouldn't have Git revisions attached) | |||
2018-03-12 | Add CMake | Thomas White | |
2018-03-12 | Remove autotools | Thomas White | |
2018-02-27 | Read debug indexing from file | Thomas White | |
2018-02-27 | indexamajig: Add --overpredict | Thomas White | |
2018-02-27 | Separate partiality calculation from prediction | Thomas White | |
2018-02-27 | Add const versions of RefList iteration | Thomas White | |
2018-02-27 | More const-cleaning | Thomas White | |
2018-02-27 | const-cleanliness | Thomas White | |
2018-02-08 | Formatting | Thomas White | |
2018-02-08 | Changed the naming of felix options and variables to make them more obvious. | Kenneth R. Beyerlein | |
2018-02-08 | Change Felix min-uniqueness paramter name to max-uniqueness. | Kenneth R. Beyerlein | |
2018-02-08 | Add Felix option felix-max-inter-angle | Kenneth R. Beyerlein | |
2018-02-08 | Make felix-domega option | Kenneth R. Beyerlein | |
2018-01-19 | xds: Remove debug | Thomas White | |
2018-01-19 | Clean up indexing method probes | Thomas White | |
2017-11-28 | Fix check for cell parameters at start | Thomas White | |
2017-11-23 | Avoid truncation with snprintf | Thomas White | |
Just something that came from new compiler warnings after upgrading my system. | |||
2017-11-23 | Fix wrong assertion | Thomas White | |
Whoops. | |||
2017-10-27 | Merge branch 'tom/simpler_felix' | Thomas White | |
2017-10-23 | Check return values from fread/fgets | Thomas White | |
2017-10-19 | Add read_reflections_2() to API | Thomas White | |
New version for reading the symmetry as well | |||
2017-10-19 | Remove read_reflections_from_file() from API | Thomas White | |
See c0ce8fb4 for the rationale behind this. | |||
2017-10-19 | Add probe for TakeTwo | Thomas White | |
2017-10-18 | Check that dirax,felix,mosflm or xds are available at the start | Thomas White | |
Avoids a confusing error message later. | |||
2017-10-18 | indexamajig: Auto-detection of available indexing methods | Thomas White | |
2017-10-18 | Add probe functions to indexing methods | Thomas White | |
2017-10-17 | Handle old indexing methods | Thomas White | |
There are limits to how well they can be handled, but this avoids screwing users over too much. | |||
2017-10-17 | felix: Set nsigmas=1 | Thomas White | |
2017-10-12 | indexamajig: Simplify Felix options | Thomas White | |
2017-10-12 | Remove write_reflections_to_file() from API | Thomas 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. | |||
2017-10-09 | indexer_str(): Don't return "none-nolatt-nocell" | Thomas White | |
2017-10-02 | Formatting fussiness | Thomas White | |
2017-09-27 | remove_flagged_crystals(): Remove multiple bad crystals | Thomas White | |
A silly bug | |||
2017-09-27 | Add an assertion | Thomas White | |
2017-09-27 | Don't reset user flag to zero | Thomas White | |
Some indexing methods may set it to 1 already, in which case we should take the hint. | |||
2017-09-26 | Remove unnecessary counting | 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 | Fix silly mistake in friendly_indexer_name() | Thomas White | |
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 | |||
2017-09-22 | Set --no-check-cell if cell is given, but has no parameters | Thomas White | |
2017-09-22 | cell_new_from_cell(): Don't try to duplicate non-existent parameters | Thomas White | |
2017-09-22 | Mosflm: Recognise P3 as hexagonal P lattice | Thomas White | |
2017-09-22 | Don't write cell parameters to the stream if we don't have them | Thomas White | |
2017-09-22 | If no cell params or lattice type, set nocell/nolatt at top level | Thomas White | |
Another thing that the indexing engines don't need to be repsonsible for. | |||
2017-09-22 | Stop if an indexing method can't be prepared | Thomas White | |
2017-09-21 | indexamajig: Friendlier display of indexing engines | Thomas White | |
2017-09-21 | Improve error message when using CBF files and a multi-event geometry | Thomas White | |
2017-09-21 | Remove old warning for XDS indexing | Thomas White | |