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@ycexiao ycexiao commented Mar 14, 2025

close #167

@ycexiao ycexiao marked this pull request as ready for review March 14, 2025 20:56
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codecov bot commented Mar 14, 2025

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 96.85%. Comparing base (6526430) to head (4a9540e).

Additional details and impacted files
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ycexiao commented Mar 14, 2025

@sbillinge Please see this, it's ready for review.

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ycexiao commented Mar 14, 2025

New manual
image

Old manual
image

Thanks to Andrew. He rewrote most parts of the old manual to make it readable in html.

Section 4 "Available Morphs" in the old manual is not included in the new one. It is about "available morphs and the theory behind", which emphasize more on the theory derivation and less on the program usage instructions. e.g.
image

Thus it is not included.

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nice work, please see inline

Welcome! This will be a quick tutorial to accquaint users with PDFmorph
and some of what it can do. For a more detailed tutorial, check out
our :download:`user manual <../manual/pdfmorph.pdf>`.
and some of what it can do.
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Here I might think to mention the PDFmorph paper and say something like "To see more details and definitions about the morphs please see the publication describing diffpy.pdfmorph" and give the reference. To begin with reference it using the title and author list and say "to be published"and make an issue to update that when it is submitted to arxiv and update it again when it appears in the journal.

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The current version is this:
image

Before you've started this tutorial, please ensure that you've installed
all necessary software and dependencies.

In this tutorial, we will demonstrate how to use PDFmorph to compare two PDFs measured from the same material at different temperatures. The morphs showcased include "stretch", "scale", and "smear".
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this line looks too long, please check it.

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Sure. I cut down every .rst lines' width to 79.

1. Within the ``additionalData`` directory, ``cd`` into the ``morphMultiple`` directory.
1. Within the ``additionalData`` directory, ``cd`` into the ``morphsequence`` directory.
Inside, you will find multiple PDFs of :math:`SrFe_2As_2` measured at various temperatures.
These PDFs are from `"Atomic Pair Distribution Function Analysis: A primer" <https://github.com/Billingegroup/pdfttp_data/>`_.
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please put a proper reference to the book here. You can also put a link to the data as is done here.

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orthorhombic at lower temperature to tetragonal at higher temperature!)
orthorhombic at lower temperature to tetragonal at higher temperature!). More sophisticated analysis
can be done with `PDFgui <https://www.diffpy.org/products/pdfgui.html>`_.
8. Finally, let us save all the morphed PDFs into a directory named ``savedMorphs``. ::
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let's change this to a PEP8 compatible directory name. Maybe saved-morphs

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The suggested directory name is changed now.

--save=savedMorphs

Entering the directory with ``cd`` and viewing its contents with ``ls``, we see a file named
``Morph_Reference_Table.txt`` with data about the input morph parameters and re-
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let's also change this so the program outputs morph-reference-table.txt


Entering the directory with ``cd`` and viewing its contents with ``ls``, we see a file named
``Morph_Reference_Table.txt`` with data about the input morph parameters and re-
fined output parameters and a directory named ``Morphs`` containing all the morphed
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morphs (no caps)

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ycexiao commented Mar 18, 2025

@sbillinge It's ready for review. Where can I find the publications list ? Currently it is left blank.

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please can you respond to each comment with what action you took.

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ycexiao commented Mar 20, 2025

@sbillinge It's ready for review.

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ycexiao commented Mar 20, 2025

codecov will go wrong because the upstream name changed. Redo the PR.

@ycexiao ycexiao closed this Mar 20, 2025
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docs: remove texinfo

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