Retire use of the thaumatin_i04 dataset in tests #1406
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This is a massively large dataset taking up a lot of resources in the Azure CI. We can easily use a much smaller dataset that is used elsewhere - in fact we don't even need a raw dataset for this test at all.
rjgildea
approved these changes
Sep 15, 2020
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| # load the original experiment and perturbate the beam centre by a small offset | ||
| experiments = load.experiment_list(insulin / "imported.expt", check_format=False) | ||
| original_origin = experiments[0].detector.hierarchy().get_origin() | ||
| shifted_origin = ( | ||
| original_origin[0] - 1.3, | ||
| original_origin[1] + 1.5, | ||
| original_origin[2], | ||
| ) | ||
| print(shift) | ||
| experiments[0].detector.hierarchy().set_local_frame( | ||
| experiments[0].detector.hierarchy().get_fast_axis(), | ||
| experiments[0].detector.hierarchy().get_slow_axis(), | ||
| shifted_origin, | ||
| ) | ||
| assert experiments[0].detector.hierarchy().get_origin() == shifted_origin | ||
| experiments.as_file(run_in_tmpdir / "shifted.expt") |
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You can probably just use the code from dials.modify_geometry to do this. Something like:
from dials.command_line import modify_geometry
modify_geometry.run([insulin/"imported.expt", "mosflm_beam_centre=96,97"])
which should output a new file "modified.expt" with the updated beam centre.
Note: I think you'll have to pass along the args variable at this line:
dials/command_line/modify_geometry.py
Line 33 in 38aefdf
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I'm not too familiar with the geometry modification code - I'll just use what I have for now. Feel free to open a ticket for this if you think it'd be useful to follow up
Codecov Report
@@ Coverage Diff @@
## master #1406 +/- ##
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Coverage 64.69% 64.69%
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Files 617 617
Lines 69587 69587
Branches 9550 9550
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Hits 45018 45018
Misses 22787 22787
Partials 1782 1782 |
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The
thaumatin_i04dataset is a very large dataset (3.1 GB) taking up a lot of resources in the Azure CI.This PR rewrites the test to use a much smaller dataset that is already used elsewhere - in fact it just uses pre-processed data and does not look at a raw dataset at all.
(
thaumatin_i04is still used in the tutorials, but that is not relevant for running the tests.)