Age | Commit message (Collapse) | Author |
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In some rare cases, the cell changes from right to left handed during
the vector refinement stage of asdf, while ending up at an apparently
correct indexing solution. This commit just flips the axis round when
necessary, in the same way that asdf already does in an earlier stage.
I haven't done a proper survey, but I can say that the image I used to
isolate and test this issue had very low resolution while still being
what we would call "indexable". The left-handed cells appeared for six
out of the 12173 hits in that run, or slightly below 0.05%. So, it's
rare but not totally impossible.
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It's hardly needed for re-use, and invites problems with the volume
going out of sync with the vectors. Better just to calculate it when
needed.
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A little clearer than fftw_malloc(*sizeof)
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This is only needed to reset FFTW to a "pristine" state, which is not
required here, and possibly even detrimental.
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We don't need to fish out the arrays and use FFTW's "new array
execution" functions: http://fftw.org/fftw3_doc/New_002darray-Execute-Functions.html
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Previously, it was possible for the search to run over the part of the
array initialised by FFTW.
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Co-authored-by: Alexandra Tolstikova <alexandra.tolstikova@desy.de>
Fixes: https://gitlab.desy.de/thomas.white/crystfel/-/issues/76
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This adds an optional fast mode for asdf indexing, which is around 3
times faster with only a few percent lower success rate.
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'changed' is initialised to zero, so there's no way this check can fail.
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This removes the big potential for confusion, which has happened several
times (see e.g. 095cbebaf6). It also fixes in-tree builds with CMake
(but seriously, always use out-of-tree builds).
Fixes #2.
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This allows the refined detector position to be used in a lot of places.
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These needed to be kept up to date with a call to map_all_peaks every
time anything changed - wavelength, detector position etc. Not doing so
has already led to bugs in another branch, and probably already causes
problems on this branch.
This patch eliminates the rx,ry,rz completely. Anyone who needs
reciprocal space coordinates for a peak is now responsible for calling
detgeom_transform_coords themselves.
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