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Overview

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Requirements Status

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A small package for manipulating powder diffraction data

  • Free software: Apache Software License 2.0

Installation

pip install pdiffutils

You can also install the in-development version with:

pip install https://github.com/rowlesmr/pdiffutils/archive/master.zip

Documentation

https://pdiffutils.readthedocs.io/

Development

Just ask me, and I can probably help.

Installation

At the command line:

pip install pdiffutils

Usage

To use pdiffutils in a project:

import pdiffutils as du

Reference

pdiffutils

Contributing

Contributions are welcome, and they are greatly appreciated! Every little bit helps, and credit will always be given.

Bug reports

When reporting a bug please include:

  • Your operating system name and version.

  • Any details about your local setup that might be helpful in troubleshooting.

  • Detailed steps to reproduce the bug.

Documentation improvements

pdiffutils could always use more documentation, whether as part of the official pdiffutils docs, in docstrings, or even on the web in blog posts, articles, and such.

Feature requests and feedback

The best way to send feedback is to file an issue at https://github.com/rowlesmr/pdiffutils/issues.

If you are proposing a feature:

  • Explain in detail how it would work.

  • Keep the scope as narrow as possible, to make it easier to implement.

  • Remember that this is a volunteer-driven project, and that code contributions are welcome :)

Development

To set up pdiffutils for local development:

  1. Fork pdiffutils (look for the “Fork” button).

  2. Clone your fork locally:

    git clone git@github.com:YOURGITHUBNAME/pdiffutils.git

  3. Create a branch for local development:

    git checkout -b name-of-your-bugfix-or-feature

    Now you can make your changes locally.

  4. Commit your changes and push your branch to GitHub:

    git add .
git commit -m "Your detailed description of your changes."
git push origin name-of-your-bugfix-or-feature

  5. Submit a pull request through the GitHub website.

Pull Request Guidelines

If you need some code review or feedback while you’re developing the code just make the pull request.

For merging, you should:

  1. Update documentation when there’s new API, functionality etc.

  2. Add a note to CHANGELOG.rst about the changes.

  3. Add yourself to AUTHORS.rst.

Authors

  • Matthew Rowles - .

Changelog

0.0.3 (2022-02-02)

  • Fixed incorrect output in split on zero for DiffractionExperiment

0.0.2 (2021-12-01)

  • I don’t know what I’ve added in terms of features

  • Implemented a bunch of unit tests

  • Squashed various bugs found by unit tests

0.0.1 (2021-11-06)

  • Fixed function exports

0.0.0 (2021-11-06)

  • First release on PyPI.

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