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Merged
merged 12 commits into from
Jul 25, 2025

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cadenmyers13
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Beginning of migration of diffpy.cmi documentation. Most info here is from the current documentation: https://www.diffpy.org/products/diffpycmi/index.html. For now, I've included a link to a repo with example problems using diffpy.cmi in the tutorials section. Was thinking we can configure/build new tutorials in a later release. See ss for updated changes to the current docs.

Screenshot 2025-07-24 at 1 02 55 PM Screenshot 2025-07-24 at 12 59 38 PM Screenshot 2025-07-24 at 12 59 29 PM

.wy-table-responsive table th {
white-space: normal !important;
word-break: normal !important;
}
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@cadenmyers13 cadenmyers13 Jul 24, 2025

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We might want to add this file or something like this to the main scikit-package. Otherwise, when you render tables in the sphinx RTD theme the tables dont fully load on the page. you have to scroll over to view the whole thing. This code wraps the text in the table so it renders nicely.

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fyi I dont know how to code in C very well so i got help from chatGPT here

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@bobleesj do you agree? It makes sense to me.

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codecov bot commented Jul 24, 2025

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 75.67%. Comparing base (4bb73fd) to head (5e3c4da).
⚠️ Report is 13 commits behind head on main.

Additional details and impacted files
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##             main      #23   +/-   ##
=======================================
  Coverage   75.67%   75.67%           
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  Files           3        3           
  Lines          37       37           
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  Hits           28       28           
  Misses          9        9           
🚀 New features to boost your workflow:
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conda create -n <package_name>-env python=3.13 \
--file requirements/tests.txt \
--file requirements/conda.txt

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do we want installation instructions in the docs?

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yes please. We are not sure what they are going to be yet though. Probably conda-forge only.

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image is from current cmi docs

.. image:: ./img/diffpycmi_screenshot.png
:alt: codecov-in-pr-comment
:width: 400px
:align: center
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This text is also from current cmi docs

- `doc <https://www.diffpy.org/pyobjcryst/>`_
* - `libdiffpy <https://github.com/diffpy/libdiffpy>`_
- C++ library for calculation of PDF and other real-space quantities.
- `doc <https://www.diffpy.org/libdiffpy/>`_
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Both new tables are also from current cmi docs but with updated/not broken links except cxxtest, their doc link is broken so i just put the broken link there for now.

@sbillinge sbillinge merged commit d215a47 into diffpy:main Jul 25, 2025
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this is fantastic! Not sure why it didn't show up on my notificationss. Sorry about that.

@cadenmyers13
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@sbillinge thanks! No worries

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Plenty more work (examples/tutorials/reference to PDF Primer and so on. After we port over the existing documentation, we would like to make the docs more valuable and useful. Actually, adoption of diffpy.cmi is severly limited by the limited docs.

This doesn't have to be done before the upcoming release, but it would be good to do it before a big public rollout.

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Here are some diffpy.srfit docs: https://www.diffpy.org/diffpy.srfit/

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2 participants