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Faster parallel processing pipeline #5

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bd6bc14
First cut at a start of a fast_dp with DIALS script
graeme-winter Jun 25, 2020
5256407
Forgot critical parameter
graeme-winter Jun 25, 2020
486cae1
Reassign oscillation range
graeme-winter Jun 26, 2020
327e0eb
Commentary
graeme-winter Jun 26, 2020
3ea2ebe
Incorporate symmetry, resolution estimation and scaling
graeme-winter Jun 26, 2020
cfdd721
Rename to fp3 -
graeme-winter Jun 29, 2020
700711d
First cut at tool docs
graeme-winter Jun 29, 2020
710b9cc
Rewrite
graeme-winter Jun 29, 2020
cff1a0c
Derpee -> fp3
graeme-winter Jun 30, 2020
3d38dc1
Logic: if image[0] != 1
graeme-winter Jun 30, 2020
ce6c550
Start factoring out
graeme-winter Jun 30, 2020
b10ed7a
Images for indexing
graeme-winter Jun 30, 2020
c79390f
Use index_blocks
graeme-winter Jun 30, 2020
cafa707
fp3 -> FP3 because class
graeme-winter Jun 30, 2020
ba96cde
format_phil_include: workaround
graeme-winter Jun 30, 2020
c21a0b0
Allow passing PHIL overrides
graeme-winter Jun 30, 2020
124b2a8
Define work, duh
graeme-winter Jun 30, 2020
10bc773
New implementation of combine
graeme-winter Jun 30, 2020
6714c3c
Use local implementation of combine
graeme-winter Jun 30, 2020
e732087
Fix off-by-one; use scan slicing
graeme-winter Jul 6, 2020
51b5081
+= boost_adaptbx.
graeme-winter Sep 4, 2020
f6f299a
dials.resolutionizer -> dials.estimate_resolution
graeme-winter Sep 4, 2020
897d978
Parallelism
graeme-winter Sep 4, 2020
0775262
WIP: create script to perform the processing for drmaa
graeme-winter Sep 7, 2020
92ff391
unlink
graeme-winter Sep 7, 2020
6a2bf25
Run shell scripts - useful step along the way to executing on cluster
graeme-winter Sep 7, 2020
e4c835f
Look for the environment script
graeme-winter Sep 7, 2020
5e648f2
Implement integrate task execution via drmaa array
isikhar Sep 24, 2020
74c57e2
A regular copy is enough, and much quicker
graeme-winter Sep 28, 2020
39dca4a
Added elementary logging
graeme-winter Sep 28, 2020
7507c0f
Show final crystal
graeme-winter Sep 28, 2020
3240040
New file not append mode
graeme-winter Sep 28, 2020
a55d74d
Print merging stats
graeme-winter Sep 28, 2020
ec60ca1
typos
graeme-winter Sep 28, 2020
4377b9c
Processing times
graeme-winter Sep 29, 2020
bfbd3a2
Correctly get scaling output
graeme-winter Sep 29, 2020
4b41a5d
TODO
graeme-winter Sep 29, 2020
048debd
Initial documentation
graeme-winter Sep 29, 2020
c7f9ceb
+= authors
graeme-winter Sep 29, 2020
282d992
Fix indentation
graeme-winter Sep 29, 2020
5132610
Fix indentation
graeme-winter Sep 29, 2020
2ce59f6
Fix indentation
graeme-winter Sep 29, 2020
c2bad9b
italic
graeme-winter Sep 29, 2020
930d6ac
If debug; print logs
graeme-winter Sep 29, 2020
c2a32c2
Typo
graeme-winter Oct 2, 2020
5d67b4c
Typo
graeme-winter Oct 2, 2020
1c6bb8a
Typo
graeme-winter Oct 2, 2020
e469398
Check file present
graeme-winter Oct 2, 2020
57ca4ff
Disambiguate rng
graeme-winter Oct 2, 2020
a151b3e
Prime factor code for sharing out cores
graeme-winter Oct 2, 2020
b219fc0
If nproc and workers == 1 guess sensible division
graeme-winter Oct 2, 2020
43ae020
Cope with data sets > 5000°
graeme-winter Oct 3, 2020
299896c
Add to repo
graeme-winter Oct 3, 2020
8368437
Revert "Add to repo"
graeme-winter Oct 5, 2020
4a75fba
Name it: dials.fp3
graeme-winter Oct 6, 2020
ef4b08d
Procrunner API change
graeme-winter Oct 6, 2020
3fa3fc2
More than one experiment
graeme-winter Oct 6, 2020
e0165af
Multi-sweeps...
graeme-winter Oct 6, 2020
23d3231
Object files -> ignore
graeme-winter Oct 31, 2020
cf866c7
Revert "Object files -> ignore"
graeme-winter Oct 31, 2020
365d39e
WIP: combine partials
graeme-winter Nov 2, 2020
229ce6b
WIP continued: now more sensible
graeme-winter Nov 3, 2020
e013fad
Remove old implementation
graeme-winter Nov 3, 2020
e97dccb
Remove reflections with -ve variance
graeme-winter Nov 4, 2020
432f51b
Merge branch 'master' into fp3
graeme-winter Jan 26, 2022
d2bda55
API change
graeme-winter Jan 26, 2022
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4 changes: 2 additions & 2 deletions __init__.py
Original file line number Diff line number Diff line change
@@ -1,11 +1,11 @@
from __future__ import division

try:
import boost.python
import boost_adaptbx.boost.python
except Exception:
ext = None
else:
ext = boost.python.import_ext("dials_scratch_ext", optional=True)
ext = boost_adaptbx.boost.python.import_ext("dials_scratch_ext", optional=True)

if not ext is None:
from dials_scratch_ext import *
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