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Put the `MorphRGrid` at the end of the morphing chain by Sparks29032 · Pull Request #232 · diffpy/diffpy.morph · GitHub

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Put the MorphRGrid at the end of the morphing chain - #232

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sbillinge merged 8 commits into
diffpy:mainfrom
Sparks29032:config_order
Jul 9, 2025
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Put the MorphRGrid at the end of the morphing chain#232
sbillinge merged 8 commits into
diffpy:mainfrom
Sparks29032:config_order

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Sparks29032 commented Jul 9, 2025 •
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See news (config_order.rst) comment for why this is done. Preparation for morphfuncx and morphfuncxy.

Sparks29032 commented Jul 9, 2025 •
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Note that only the morphapp.py file is changed. All other changes are as this is built off PR #231. The tests will fail if the changes in #231 are not included as small numerical differences occur. All numerical differences are less than the refiner tolerance of 1e-08.

The files changed should go away once #231 is merged.

codecov Bot commented Jul 9, 2025 •
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Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 99.08%. Comparing base (5d9fd64) to head (55e3ab1).
Report is 1 commits behind head on main.

Additional details and impacted files 
@@           Coverage Diff           @@
##             main     #232   +/-   ##
=======================================
  Coverage   99.08%   99.08%           
=======================================
  Files          21       21           
  Lines        1087     1087           
=======================================
  Hits         1077     1077           
  Misses         10       10
🚀 New features to boost your workflow:
  • ❄️ Test Analytics: Detect flaky tests, report on failures, and find test suite problems.

sbillinge reviewed Jul 9, 2025
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Choose a reason Spam Abuse Off Topic Outdated Duplicate Resolved Low Quality

I will merge this so you can move ahead, but please see comment and make an issue. Also, in common with things like np.all_cloae etc, could we drop the "are" from the name and make it more like files_all_close or something like that. We could also borrow the signature and pass through tolerances. Again, this can be done later, after beam time... Just make an issue now so we don't forget

Comment thread tests/test_morphio.py


def are_files_same(file1, file2):
"""Assert that two files have (approximately) the same numerical

sbillinge Jul 9, 2025

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Choose a reason Spam Abuse Off Topic Outdated Duplicate Resolved Low Quality

This looks as if it is a copy paste of the one in the other PR. Can we put it into conftest. Py and make it available to all tests as a fixture?

Sparks29032 Jul 9, 2025

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Choose a reason Spam Abuse Off Topic Outdated Duplicate Resolved Low Quality

It is from the other PR. After merging with main, this change is no longer present.

Sparks29032 Jul 9, 2025

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Choose a reason Spam Abuse Off Topic Outdated Duplicate Resolved Low Quality

This is only needed in the io tests as that is the only test creating files. As such, no need to put into contest.

sbillinge Jul 9, 2025

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Choose a reason Spam Abuse Off Topic Outdated Duplicate Resolved Low Quality

ah, ok

sbillinge merged commit f8ee98a into diffpy:main Jul 9, 2025

Sparks29032 commented Jul 9, 2025

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Created #233 just in case we want to revisit names.

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