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Added support for rasx xrd files #1067

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Added support for rasx xrd files #1067

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Added support for .rasx (.rasx.zip) xrd files from the Rigaku diffractometer.

@be-smith be-smith linked an issue Mar 13, 2025 that may be closed by this pull request
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codecov bot commented Mar 13, 2025

Codecov Report

Attention: Patch coverage is 95.00000% with 1 line in your changes missing coverage. Please review.

Project coverage is 70.18%. Comparing base (55144ce) to head (4601903).

Files with missing lines Patch % Lines
pydatalab/src/pydatalab/apps/xrd/utils.py 93.75% 1 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main    #1067      +/-   ##
==========================================
+ Coverage   70.07%   70.18%   +0.10%     
==========================================
  Files          63       63              
  Lines        4087     4105      +18     
==========================================
+ Hits         2864     2881      +17     
- Misses       1223     1224       +1     
Files with missing lines Coverage Δ
pydatalab/src/pydatalab/apps/xrd/blocks.py 64.89% <100.00%> (+0.76%) ⬆️
pydatalab/src/pydatalab/apps/xrd/utils.py 57.69% <93.75%> (+9.30%) ⬆️
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cypress bot commented Mar 13, 2025

datalab    Run #2991

Run Properties:  status check passed Passed #2991  •  git commit 4bd5325e54 ℹ️: Merge 4601903248c2c7acc982f58d643bd0801a72ed59 into 55144ce573b0d4e74f1adeba664e...
Project datalab
Branch Review bes/xrd-rasx
Run status status check passed Passed #2991
Run duration 08m 11s
Commit git commit 4bd5325e54 ℹ️: Merge 4601903248c2c7acc982f58d643bd0801a72ed59 into 55144ce573b0d4e74f1adeba664e...
Committer Ben Smith
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Test results
Tests that failed  Failures 0
Tests that were flaky  Flaky 0
Tests that did not run due to a developer annotating a test with .skip  Pending 0
Tests that did not run due to a failure in a mocha hook  Skipped 0
Tests that passed  Passing 471
View all changes introduced in this branch ↗︎

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Thanks @be-smith, just wanted to write down the comments we had when going through it in the meeting. Looking good so far!

@ml-evs ml-evs marked this pull request as ready for review March 19, 2025 18:57
@ml-evs ml-evs added enhancement New feature or request datablock An issue pertaining to a specific datablock labels Mar 19, 2025
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@MJCliffe has given the goahead to use the test file, so think we're good here! We can try to figure out the final/column XML stuff at a later date.

Just one more comment then lets merge!

Comment on lines +169 to +173
data_file = None
for file in destination.glob("Data*/*.txt"):
data_file = file
break

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I think here we should emit a warning if there are extra data folders or txt files. You can use warnings.warn("<message>") and it will show up in the block UI for the user. Just say something like "only / was used, but others were found."

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Support for Rigaku PXRD rasx format
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