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Document indexing strategies #1519
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Co-authored-by: David Waterman <dagewa@users.noreply.github.com>
Co-authored-by: Richard Gildea <rjgildea@users.noreply.github.com>
Not sure how I managed to commit the file but not its contents...
Codecov Report
@@ Coverage Diff @@
## master #1519 +/- ##
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Coverage 65.62% 65.62%
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Files 614 614
Lines 68965 68970 +5
Branches 9529 9529
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+ Hits 45257 45261 +4
- Misses 21866 21867 +1
Partials 1842 1842 |
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Thanks for adding these, I'm sure users will find the additional help strings useful.
As well as being untidy, I'm not convinced the extra whitespace padding and single quotes in the phil_help
attributes are even necessary - the following still appears to work:
libtbx.phil.parse("""
%s
.expert_level=1
.help=%s
{}
""" % (entry_point.name, entry_point.load().phil_help[2:-2])).show(attributes_level=1)
fft1d
.help = "Search for the basis vectors of the direct lattice by performing a"
"series of 1D FFTs along various directions in reciprocal space."
"This has a lower memory requirement than a single 3D FFT (the fft3d"
"method). This method may also be more appropriate than a 3D FFT if"
"the reflections are from narrow wedges of rotation data or from"
"stills data."
{
}
i.e. I think we can safely remove the whitespace padding and extra single quotes and it will still work. The default Strategy.phil_help
could also be phil_help = None
which seems cleaner and more Pythonic.
algorithms/indexing/basis_vector_search/real_space_grid_search.py
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Looks good to me. I added one suggestion for the low res spot match help.
Oh brilliant, I approve. I thought I tried this in tinkering with PHIL but I clearly did something else wrong and convinced myself it was because I was passing |
Co-authored-by: Richard Gildea <rjgildea@users.noreply.github.com>
Co-authored-by: David Waterman <dagewa@users.noreply.github.com>
Provide PHIL help for each of the basis vector and lattice search strategies and pass these through to the
dials.index
PHIL scope. Give a little more info on how each strategy works in the docstring of the corresponding class.